smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823878143 946497761 /nfs/dbraw/zinc/49/77/61/946497761.db2.gz QQUPKESYTCXWMD-CQSZACIVSA-N 2 1 326.448 2.558 20 30 EFEDMP C[NH+](C)C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC001646527063 1087836787 /nfs/dbraw/zinc/83/67/87/1087836787.db2.gz BBARBHUHHJNVHI-DOTOQJQBSA-N 2 1 337.895 2.876 20 30 EFEDMP C=CC[C@@]1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888356 1088139472 /nfs/dbraw/zinc/13/94/72/1088139472.db2.gz COWVGBLMFYYSKI-FPOVZHCZSA-N 2 1 341.499 2.808 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001574903980 1088148175 /nfs/dbraw/zinc/14/81/75/1088148175.db2.gz YVVBGQKPWFETQP-YTQUADARSA-N 2 1 329.488 2.697 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961101 1090733537 /nfs/dbraw/zinc/73/35/37/1090733537.db2.gz AWMHRCKTUFZWME-RBUKOAKNSA-N 2 1 349.482 2.780 20 30 EFEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC001580078177 1090765629 /nfs/dbraw/zinc/76/56/29/1090765629.db2.gz NUQQXILNFOABOR-UHFFFAOYSA-N 2 1 335.451 2.772 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453788 1093036464 /nfs/dbraw/zinc/03/64/64/1093036464.db2.gz BHRFLVSEFAMQBD-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075454362 1093049189 /nfs/dbraw/zinc/04/91/89/1093049189.db2.gz RPNDMYBNUDDOMH-QUCCMNQESA-N 2 1 347.547 2.547 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516469 1093542628 /nfs/dbraw/zinc/54/26/28/1093542628.db2.gz LNOUDGNOWXCDGN-IWFBPKFRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589066 1094376081 /nfs/dbraw/zinc/37/60/81/1094376081.db2.gz UIUHHTXTHQDPAW-YDZRNGNQSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742664 1094995230 /nfs/dbraw/zinc/99/52/30/1094995230.db2.gz FUECVUQHBCJYAY-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301450 1095133411 /nfs/dbraw/zinc/13/34/11/1095133411.db2.gz CLXTYVOPICUUEX-FGTMMUONSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087307337 1095203387 /nfs/dbraw/zinc/20/33/87/1095203387.db2.gz YDPDOMGZMXGASY-MISYRCLQSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959073 1095792141 /nfs/dbraw/zinc/79/21/41/1095792141.db2.gz XWROJICYYKAVRJ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959073 1095792154 /nfs/dbraw/zinc/79/21/54/1095792154.db2.gz XWROJICYYKAVRJ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959073 1095792164 /nfs/dbraw/zinc/79/21/64/1095792164.db2.gz XWROJICYYKAVRJ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958053 1095793905 /nfs/dbraw/zinc/79/39/05/1095793905.db2.gz DALQRFNZAMCAHT-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958053 1095793916 /nfs/dbraw/zinc/79/39/16/1095793916.db2.gz DALQRFNZAMCAHT-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958053 1095793929 /nfs/dbraw/zinc/79/39/29/1095793929.db2.gz DALQRFNZAMCAHT-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964081 1095848861 /nfs/dbraw/zinc/84/88/61/1095848861.db2.gz VDZOEXWUBSNACE-UHFFFAOYSA-N 2 1 329.488 2.515 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](CCC[NH3+])C(=O)OC)cc1 ZINC001167902247 1096376424 /nfs/dbraw/zinc/37/64/24/1096376424.db2.gz VLCPAMAJNUTWKV-QZTJIDSGSA-N 2 1 331.460 2.702 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481956636 1096994650 /nfs/dbraw/zinc/99/46/50/1096994650.db2.gz BAWCJTQLHPOMRT-KBXCAEBGSA-N 2 1 341.927 2.878 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573071 1100540700 /nfs/dbraw/zinc/54/07/00/1100540700.db2.gz RPJINMKZRFOWDS-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573071 1100540706 /nfs/dbraw/zinc/54/07/06/1100540706.db2.gz RPJINMKZRFOWDS-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573071 1100540714 /nfs/dbraw/zinc/54/07/14/1100540714.db2.gz RPJINMKZRFOWDS-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001105395950 1100569699 /nfs/dbraw/zinc/56/96/99/1100569699.db2.gz GCVPRMQHOVYBPB-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395950 1100569707 /nfs/dbraw/zinc/56/97/07/1100569707.db2.gz GCVPRMQHOVYBPB-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395950 1100569711 /nfs/dbraw/zinc/56/97/11/1100569711.db2.gz GCVPRMQHOVYBPB-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396642 1100587491 /nfs/dbraw/zinc/58/74/91/1100587491.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396642 1100587498 /nfs/dbraw/zinc/58/74/98/1100587498.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396642 1100587503 /nfs/dbraw/zinc/58/75/03/1100587503.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396769 1100593131 /nfs/dbraw/zinc/59/31/31/1100593131.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396769 1100593136 /nfs/dbraw/zinc/59/31/36/1100593136.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396769 1100593140 /nfs/dbraw/zinc/59/31/40/1100593140.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 2 1 333.520 2.606 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699246 1100678717 /nfs/dbraw/zinc/67/87/17/1100678717.db2.gz JGHSPSORACTMNJ-XUVXKRRUSA-N 2 1 345.531 2.776 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699246 1100678721 /nfs/dbraw/zinc/67/87/21/1100678721.db2.gz JGHSPSORACTMNJ-XUVXKRRUSA-N 2 1 345.531 2.776 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728471 1100705905 /nfs/dbraw/zinc/70/59/05/1100705905.db2.gz YOBKNTSWRXPENG-VQTJNVASSA-N 2 1 343.515 2.950 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792206 1100776075 /nfs/dbraw/zinc/77/60/75/1100776075.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792206 1100776083 /nfs/dbraw/zinc/77/60/83/1100776083.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792206 1100776086 /nfs/dbraw/zinc/77/60/86/1100776086.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971690 1101103001 /nfs/dbraw/zinc/10/30/01/1101103001.db2.gz NWGPKOXHMPSXIK-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971690 1101103005 /nfs/dbraw/zinc/10/30/05/1101103005.db2.gz NWGPKOXHMPSXIK-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971793 1101103862 /nfs/dbraw/zinc/10/38/62/1101103862.db2.gz UCEDBDHJNXRGHP-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971793 1101103871 /nfs/dbraw/zinc/10/38/71/1101103871.db2.gz UCEDBDHJNXRGHP-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992252 1101165199 /nfs/dbraw/zinc/16/51/99/1101165199.db2.gz LPGGVQRUNGFIJH-AQNXPRMDSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992252 1101165202 /nfs/dbraw/zinc/16/52/02/1101165202.db2.gz LPGGVQRUNGFIJH-AQNXPRMDSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992252 1101165205 /nfs/dbraw/zinc/16/52/05/1101165205.db2.gz LPGGVQRUNGFIJH-AQNXPRMDSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993792 1101167361 /nfs/dbraw/zinc/16/73/61/1101167361.db2.gz DBDRBZUBLZNWDP-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993792 1101167363 /nfs/dbraw/zinc/16/73/63/1101167363.db2.gz DBDRBZUBLZNWDP-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993792 1101167365 /nfs/dbraw/zinc/16/73/65/1101167365.db2.gz DBDRBZUBLZNWDP-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993910 1101168562 /nfs/dbraw/zinc/16/85/62/1101168562.db2.gz JIMINAKBTLAWDM-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993910 1101168565 /nfs/dbraw/zinc/16/85/65/1101168565.db2.gz JIMINAKBTLAWDM-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993910 1101168569 /nfs/dbraw/zinc/16/85/69/1101168569.db2.gz JIMINAKBTLAWDM-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021126 1101207306 /nfs/dbraw/zinc/20/73/06/1101207306.db2.gz VACXKHWVFHIKDM-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021126 1101207314 /nfs/dbraw/zinc/20/73/14/1101207314.db2.gz VACXKHWVFHIKDM-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021126 1101207318 /nfs/dbraw/zinc/20/73/18/1101207318.db2.gz VACXKHWVFHIKDM-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077289 1101382778 /nfs/dbraw/zinc/38/27/78/1101382778.db2.gz SJVQXTJXKWKBKB-AQNXPRMDSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077289 1101382791 /nfs/dbraw/zinc/38/27/91/1101382791.db2.gz SJVQXTJXKWKBKB-AQNXPRMDSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077289 1101382802 /nfs/dbraw/zinc/38/28/02/1101382802.db2.gz SJVQXTJXKWKBKB-AQNXPRMDSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385404 1101388531 /nfs/dbraw/zinc/38/85/31/1101388531.db2.gz BMEPTDXFEMMERA-MRXNPFEDSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311176 1101573101 /nfs/dbraw/zinc/57/31/01/1101573101.db2.gz VWGMVUJQNYOODW-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166705 1101728440 /nfs/dbraw/zinc/72/84/40/1101728440.db2.gz OLGYMMAOVHQXNK-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166705 1101728452 /nfs/dbraw/zinc/72/84/52/1101728452.db2.gz OLGYMMAOVHQXNK-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166705 1101728461 /nfs/dbraw/zinc/72/84/61/1101728461.db2.gz OLGYMMAOVHQXNK-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232532 1102097231 /nfs/dbraw/zinc/09/72/31/1102097231.db2.gz GJPXZXLMPWHERI-IBGZPJMESA-N 2 1 339.499 2.651 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167236705 1102114310 /nfs/dbraw/zinc/11/43/10/1102114310.db2.gz PPTIAVMFGCSFJC-QGZVFWFLSA-N 2 1 344.503 2.596 20 30 EFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104369900 1102339564 /nfs/dbraw/zinc/33/95/64/1102339564.db2.gz KKXXVRVUOGSQMX-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C(=O)OCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168072006 1102396635 /nfs/dbraw/zinc/39/66/35/1102396635.db2.gz NIDLRXLKBRRLSH-INIZCTEOSA-N 2 1 342.443 2.882 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001104274253 1102430960 /nfs/dbraw/zinc/43/09/60/1102430960.db2.gz KHDJHPMANYZYDF-BRWVUGGUSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351455 1102818522 /nfs/dbraw/zinc/81/85/22/1102818522.db2.gz ABEJXOVIGZNSHP-UHFFFAOYSA-N 2 1 332.492 2.849 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001088314778 1102866842 /nfs/dbraw/zinc/86/68/42/1102866842.db2.gz GSCBPLZRLLZOBS-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317340 1102883499 /nfs/dbraw/zinc/88/34/99/1102883499.db2.gz ZARLQLIPYKBOQX-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167376667 1102923550 /nfs/dbraw/zinc/92/35/50/1102923550.db2.gz DOQMOJZKRVFYDX-UHFFFAOYSA-N 2 1 332.492 2.849 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088326941 1102931491 /nfs/dbraw/zinc/93/14/91/1102931491.db2.gz BDKGKYJNGMXKPH-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367239 1103194503 /nfs/dbraw/zinc/19/45/03/1103194503.db2.gz FRRATEZCBRFKIA-QUCCMNQESA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001271954091 1103239970 /nfs/dbraw/zinc/23/99/70/1103239970.db2.gz QHBKKCSVELQVMB-UHFFFAOYSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394210 1103409793 /nfs/dbraw/zinc/40/97/93/1103409793.db2.gz ZENOECODNTZENN-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153522 1104012539 /nfs/dbraw/zinc/01/25/39/1104012539.db2.gz LJCZJEYZLYODQG-UHFFFAOYSA-N 2 1 332.492 2.814 20 30 EFEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001105446715 1104207815 /nfs/dbraw/zinc/20/78/15/1104207815.db2.gz RAFCSBCDFCADJG-TYKWCNGQSA-N 2 1 343.515 2.711 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622006 1105522628 /nfs/dbraw/zinc/52/26/28/1105522628.db2.gz CVAFWAWIBVXUGJ-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622006 1105522634 /nfs/dbraw/zinc/52/26/34/1105522634.db2.gz CVAFWAWIBVXUGJ-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542499 1105900506 /nfs/dbraw/zinc/90/05/06/1105900506.db2.gz WSHAQEVSSFYOPU-SFHVURJKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549421 1105920341 /nfs/dbraw/zinc/92/03/41/1105920341.db2.gz KRIGLQXCMWYUGM-GOSISDBHSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563290 1105942188 /nfs/dbraw/zinc/94/21/88/1105942188.db2.gz IWYNHMZHMKPJLO-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513389 1106396548 /nfs/dbraw/zinc/39/65/48/1106396548.db2.gz CZMJKOSTZYKELJ-HUUCEWRRSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319773 1106688040 /nfs/dbraw/zinc/68/80/40/1106688040.db2.gz XXWICLPRTWJIFF-GHBBCFCZSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319774 1106688092 /nfs/dbraw/zinc/68/80/92/1106688092.db2.gz XXWICLPRTWJIFF-GUMHCPJTSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168321651 1106719450 /nfs/dbraw/zinc/71/94/50/1106719450.db2.gz JSQKTNKIGNHFEY-AFMYVXGZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862520 1106761889 /nfs/dbraw/zinc/76/18/89/1106761889.db2.gz DINHLIJJGSYSDB-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991015039 1106874516 /nfs/dbraw/zinc/87/45/16/1106874516.db2.gz BSQDDHIQLPAHTN-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991015039 1106874539 /nfs/dbraw/zinc/87/45/39/1106874539.db2.gz BSQDDHIQLPAHTN-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991015039 1106874549 /nfs/dbraw/zinc/87/45/49/1106874549.db2.gz BSQDDHIQLPAHTN-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070379 1107405777 /nfs/dbraw/zinc/40/57/77/1107405777.db2.gz ALGZPXUIRMDEPX-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990613392 1108390827 /nfs/dbraw/zinc/39/08/27/1108390827.db2.gz JUBSSYZYXJIPCQ-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990613392 1108390841 /nfs/dbraw/zinc/39/08/41/1108390841.db2.gz JUBSSYZYXJIPCQ-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990613392 1108390851 /nfs/dbraw/zinc/39/08/51/1108390851.db2.gz JUBSSYZYXJIPCQ-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040265288 1108410116 /nfs/dbraw/zinc/41/01/16/1108410116.db2.gz XXBRDNHPJNNGQM-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265288 1108410121 /nfs/dbraw/zinc/41/01/21/1108410121.db2.gz XXBRDNHPJNNGQM-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265288 1108410125 /nfs/dbraw/zinc/41/01/25/1108410125.db2.gz XXBRDNHPJNNGQM-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265288 1108410130 /nfs/dbraw/zinc/41/01/30/1108410130.db2.gz XXBRDNHPJNNGQM-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133237 1108523278 /nfs/dbraw/zinc/52/32/78/1108523278.db2.gz HJCQYBUIPRUHAA-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150027 1108657353 /nfs/dbraw/zinc/65/73/53/1108657353.db2.gz ZXGMTQQCTNGQDI-BRWVUGGUSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766523 1109231037 /nfs/dbraw/zinc/23/10/37/1109231037.db2.gz VXOCLRVFLYTHON-HLNWXESRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766523 1109231042 /nfs/dbraw/zinc/23/10/42/1109231042.db2.gz VXOCLRVFLYTHON-HLNWXESRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766523 1109231046 /nfs/dbraw/zinc/23/10/46/1109231046.db2.gz VXOCLRVFLYTHON-HLNWXESRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249237 1111218351 /nfs/dbraw/zinc/21/83/51/1111218351.db2.gz DHLRHYLKMCGLBT-DJIMGWMZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357898 1111455035 /nfs/dbraw/zinc/45/50/35/1111455035.db2.gz PDOICCDOMOTKJG-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106434056 1111529150 /nfs/dbraw/zinc/52/91/50/1111529150.db2.gz YVOVZVZQQXSBJS-SJLPKXTDSA-N 2 1 334.508 2.846 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229213 1111563330 /nfs/dbraw/zinc/56/33/30/1111563330.db2.gz HRIRHULITQGTIT-ZWKOTPCHSA-N 2 1 335.536 2.737 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239541 1111670249 /nfs/dbraw/zinc/67/02/49/1111670249.db2.gz GRCQZYVFXILXDT-KRWDZBQOSA-N 2 1 335.536 2.594 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239541 1111670253 /nfs/dbraw/zinc/67/02/53/1111670253.db2.gz GRCQZYVFXILXDT-KRWDZBQOSA-N 2 1 335.536 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239541 1111670255 /nfs/dbraw/zinc/67/02/55/1111670255.db2.gz GRCQZYVFXILXDT-KRWDZBQOSA-N 2 1 335.536 2.594 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665522 1111708424 /nfs/dbraw/zinc/70/84/24/1111708424.db2.gz ZSAIECIWWXCIOR-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860044 1111915645 /nfs/dbraw/zinc/91/56/45/1111915645.db2.gz GKYDOBBBZVOWQT-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203454418 1111965864 /nfs/dbraw/zinc/96/58/64/1111965864.db2.gz ZLBVTOHQRRYTCM-HOTGVXAUSA-N 2 1 330.476 2.600 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203454421 1111966266 /nfs/dbraw/zinc/96/62/66/1111966266.db2.gz ZLBVTOHQRRYTCM-HZPDHXFCSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386653 1112047942 /nfs/dbraw/zinc/04/79/42/1112047942.db2.gz RXVNZAOMNLDXLE-RTBURBONSA-N 2 1 347.547 2.901 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385807 1112049086 /nfs/dbraw/zinc/04/90/86/1112049086.db2.gz JTNUNTBJGAMHJY-SFHVURJKSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390434 1112055964 /nfs/dbraw/zinc/05/59/64/1112055964.db2.gz FAJKGDDGVGOZAG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390434 1112055968 /nfs/dbraw/zinc/05/59/68/1112055968.db2.gz FAJKGDDGVGOZAG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390434 1112055971 /nfs/dbraw/zinc/05/59/71/1112055971.db2.gz FAJKGDDGVGOZAG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442737 1112150857 /nfs/dbraw/zinc/15/08/57/1112150857.db2.gz RUICOFMZBIROCW-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442737 1112150861 /nfs/dbraw/zinc/15/08/61/1112150861.db2.gz RUICOFMZBIROCW-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445623 1112157982 /nfs/dbraw/zinc/15/79/82/1112157982.db2.gz KPUYANRGJPALRA-ZWKOTPCHSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089476563 1112199870 /nfs/dbraw/zinc/19/98/70/1112199870.db2.gz HNSLODKHFVOAFD-KRWDZBQOSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484634 1112217347 /nfs/dbraw/zinc/21/73/47/1112217347.db2.gz YWEAAPTYOWABGC-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255542 /nfs/dbraw/zinc/25/55/42/1112255542.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255545 /nfs/dbraw/zinc/25/55/45/1112255545.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255547 /nfs/dbraw/zinc/25/55/47/1112255547.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536309 1112275848 /nfs/dbraw/zinc/27/58/48/1112275848.db2.gz BBOXWZDQRKHCDU-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539563 1112282225 /nfs/dbraw/zinc/28/22/25/1112282225.db2.gz MMFBUUBNPPBQMB-OAHLLOKOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539563 1112282228 /nfs/dbraw/zinc/28/22/28/1112282228.db2.gz MMFBUUBNPPBQMB-OAHLLOKOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673641 1112349455 /nfs/dbraw/zinc/34/94/55/1112349455.db2.gz RHBYNMKLKPLGMV-SFHVURJKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3cnc4cc[nH]cc3-4)CC2)C1=O ZINC001272674012 1112377464 /nfs/dbraw/zinc/37/74/64/1112377464.db2.gz SJSZXSXIZOYAQC-HXUWFJFHSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnc4cc[nH]cc3-4)CC2)C1=O ZINC001272674012 1112377470 /nfs/dbraw/zinc/37/74/70/1112377470.db2.gz SJSZXSXIZOYAQC-HXUWFJFHSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272674012 1112377478 /nfs/dbraw/zinc/37/74/78/1112377478.db2.gz SJSZXSXIZOYAQC-HXUWFJFHSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272674012 1112377484 /nfs/dbraw/zinc/37/74/84/1112377484.db2.gz SJSZXSXIZOYAQC-HXUWFJFHSA-N 2 1 338.455 2.954 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641781 1112434674 /nfs/dbraw/zinc/43/46/74/1112434674.db2.gz SPFVDUOZZFMXEF-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649102 1112463123 /nfs/dbraw/zinc/46/31/23/1112463123.db2.gz ARZKQDAMGRANIZ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649102 1112463127 /nfs/dbraw/zinc/46/31/27/1112463127.db2.gz ARZKQDAMGRANIZ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089650047 1112474675 /nfs/dbraw/zinc/47/46/75/1112474675.db2.gz SEEZEZJNZBWWDT-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089650047 1112474678 /nfs/dbraw/zinc/47/46/78/1112474678.db2.gz SEEZEZJNZBWWDT-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089650047 1112474679 /nfs/dbraw/zinc/47/46/79/1112474679.db2.gz SEEZEZJNZBWWDT-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089650047 1112474681 /nfs/dbraw/zinc/47/46/81/1112474681.db2.gz SEEZEZJNZBWWDT-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664301 1112613849 /nfs/dbraw/zinc/61/38/49/1112613849.db2.gz IWDBMFBZTOGBFH-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671438 1112660809 /nfs/dbraw/zinc/66/08/09/1112660809.db2.gz RXRACIHZEJMIAQ-SFHVURJKSA-N 2 1 338.455 2.578 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705772 1112857963 /nfs/dbraw/zinc/85/79/63/1112857963.db2.gz JJBIZSRNCUQHCF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705772 1112857965 /nfs/dbraw/zinc/85/79/65/1112857965.db2.gz JJBIZSRNCUQHCF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705772 1112857967 /nfs/dbraw/zinc/85/79/67/1112857967.db2.gz JJBIZSRNCUQHCF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845164 1118241436 /nfs/dbraw/zinc/24/14/36/1118241436.db2.gz DCBUILSMDYTHBU-MANSERQUSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272701959 1118661345 /nfs/dbraw/zinc/66/13/45/1118661345.db2.gz MFBWMUJHIDBUPZ-FQEVSTJZSA-N 2 1 349.519 2.526 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435465 1118802106 /nfs/dbraw/zinc/80/21/06/1118802106.db2.gz LTUIDDHQLJNPPW-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435465 1118802112 /nfs/dbraw/zinc/80/21/12/1118802112.db2.gz LTUIDDHQLJNPPW-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435465 1118802117 /nfs/dbraw/zinc/80/21/17/1118802117.db2.gz LTUIDDHQLJNPPW-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942723992 1119087058 /nfs/dbraw/zinc/08/70/58/1119087058.db2.gz RUTQPGZLMIPUCK-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518508 1119532823 /nfs/dbraw/zinc/53/28/23/1119532823.db2.gz SYKQYGHWNDPNLE-KSSFIOAISA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518508 1119532825 /nfs/dbraw/zinc/53/28/25/1119532825.db2.gz SYKQYGHWNDPNLE-KSSFIOAISA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519951 1119534361 /nfs/dbraw/zinc/53/43/61/1119534361.db2.gz ZYGPRUHEUFKFQZ-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944044866 1119890509 /nfs/dbraw/zinc/89/05/09/1119890509.db2.gz AWKKKVLCUVRXCO-LPHOPBHVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039453 1120078802 /nfs/dbraw/zinc/07/88/02/1120078802.db2.gz RYMWVSZDIYMCLV-QRQLOZEOSA-N 2 1 329.488 2.550 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039752 1120079242 /nfs/dbraw/zinc/07/92/42/1120079242.db2.gz XFPGPBQVAKQUKG-OLMNPRSZSA-N 2 1 349.906 2.726 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945091561 1120567782 /nfs/dbraw/zinc/56/77/82/1120567782.db2.gz OKSKPUXTEYQHTH-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033418 1120756829 /nfs/dbraw/zinc/75/68/29/1120756829.db2.gz AXGZQSGROKPZMD-DOTOQJQBSA-N 2 1 344.503 2.925 20 30 EFEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262374518 240349196 /nfs/dbraw/zinc/34/91/96/240349196.db2.gz JFXJLKRXSVXRAW-FCFHUKJJSA-N 2 1 340.515 2.798 20 30 EFEDMP [NH2+]=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262448089 240352910 /nfs/dbraw/zinc/35/29/10/240352910.db2.gz DNRDSESSYKXLTB-LLVKDONJSA-N 2 1 339.321 2.523 20 30 EFEDMP CC[NH+](CC)[C@H](CNC1=[NH+]CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000262645992 240363016 /nfs/dbraw/zinc/36/30/16/240363016.db2.gz JASKTPQPODKURV-OAHLLOKOSA-N 2 1 342.409 2.979 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000262645991 240363037 /nfs/dbraw/zinc/36/30/37/240363037.db2.gz JASKTPQPODKURV-HNNXBMFYSA-N 2 1 342.409 2.979 20 30 EFEDMP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1F ZINC000262683032 240365707 /nfs/dbraw/zinc/36/57/07/240365707.db2.gz XCCPFVJYLXASRJ-CZUORRHYSA-N 2 1 336.842 2.542 20 30 EFEDMP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262748336 240366708 /nfs/dbraw/zinc/36/67/08/240366708.db2.gz GGFVIZAZMZWIAX-QFBILLFUSA-N 2 1 337.471 2.582 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262768318 240368111 /nfs/dbraw/zinc/36/81/11/240368111.db2.gz LGBRUHMVXSOUPK-INIZCTEOSA-N 2 1 344.459 2.591 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C(C)C ZINC000272859347 201258248 /nfs/dbraw/zinc/25/82/48/201258248.db2.gz VEBOUQHYSCMCTE-PKOBYXMFSA-N 2 1 348.535 2.635 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C(C)C ZINC000272859330 201259354 /nfs/dbraw/zinc/25/93/54/201259354.db2.gz VEBOUQHYSCMCTE-HKUYNNGSSA-N 2 1 348.535 2.635 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274784953 201271276 /nfs/dbraw/zinc/27/12/76/201271276.db2.gz ARDVYWKYDPDCRP-AZUAARDMSA-N 2 1 343.515 2.911 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274784953 201271280 /nfs/dbraw/zinc/27/12/80/201271280.db2.gz ARDVYWKYDPDCRP-AZUAARDMSA-N 2 1 343.515 2.911 20 30 EFEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548086 239072656 /nfs/dbraw/zinc/07/26/56/239072656.db2.gz WPISUGABDZEOHV-MRXNPFEDSA-N 2 1 338.455 2.834 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548086 239072665 /nfs/dbraw/zinc/07/26/65/239072665.db2.gz WPISUGABDZEOHV-MRXNPFEDSA-N 2 1 338.455 2.834 20 30 EFEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277706616 201302611 /nfs/dbraw/zinc/30/26/11/201302611.db2.gz IIFLBMWISARZMZ-KRWDZBQOSA-N 2 1 348.487 2.851 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654408 201305695 /nfs/dbraw/zinc/30/56/95/201305695.db2.gz SSITYCIWHRWDNN-ZWKOTPCHSA-N 2 1 330.472 2.850 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277823489 201307835 /nfs/dbraw/zinc/30/78/35/201307835.db2.gz LEHXFBYOMQTFCZ-GOSISDBHSA-N 2 1 330.472 2.679 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccn1 ZINC000170911500 239134474 /nfs/dbraw/zinc/13/44/74/239134474.db2.gz SSUFPQOJQJJLIC-AWEZNQCLSA-N 2 1 329.473 2.782 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000177506947 239376019 /nfs/dbraw/zinc/37/60/19/239376019.db2.gz ATXVJGQDJSLFDL-CALCHBBNSA-N 2 1 339.549 2.845 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H]1C ZINC000262025047 240343331 /nfs/dbraw/zinc/34/33/31/240343331.db2.gz ZFJXPDUCUXVMIJ-LSDHHAIUSA-N 2 1 346.475 2.837 20 30 EFEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329302487 241344571 /nfs/dbraw/zinc/34/45/71/241344571.db2.gz WKYVGCJGEFUVPE-MRXNPFEDSA-N 2 1 347.507 2.692 20 30 EFEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342707516 241782589 /nfs/dbraw/zinc/78/25/89/241782589.db2.gz MUHLBSUSDYNRHG-OALUTQOASA-N 2 1 340.515 2.743 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219201 /nfs/dbraw/zinc/21/92/01/242219201.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219205 /nfs/dbraw/zinc/21/92/05/242219205.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219212 /nfs/dbraw/zinc/21/92/12/242219212.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 3 1 337.552 2.754 20 30 EFEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000072725495 203244069 /nfs/dbraw/zinc/24/40/69/203244069.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000072725495 203244073 /nfs/dbraw/zinc/24/40/73/203244073.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000072725495 203244077 /nfs/dbraw/zinc/24/40/77/203244077.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC000158384876 205313515 /nfs/dbraw/zinc/31/35/15/205313515.db2.gz XFEXLVDEVXEAHU-UHFFFAOYSA-N 2 1 339.483 2.942 20 30 EFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425542464 247125921 /nfs/dbraw/zinc/12/59/21/247125921.db2.gz YDDPAXNPEVDWPF-INIZCTEOSA-N 2 1 342.487 2.540 20 30 EFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425542464 247125925 /nfs/dbraw/zinc/12/59/25/247125925.db2.gz YDDPAXNPEVDWPF-INIZCTEOSA-N 2 1 342.487 2.540 20 30 EFEDMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1C#N ZINC000443965246 250241278 /nfs/dbraw/zinc/24/12/78/250241278.db2.gz MULKYKHPNUBZSP-UHFFFAOYSA-N 2 1 348.494 2.904 20 30 EFEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000443998526 250247632 /nfs/dbraw/zinc/24/76/32/250247632.db2.gz VEVXSNAGTUIANU-OAQYLSRUSA-N 2 1 335.451 2.723 20 30 EFEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268814896 252265115 /nfs/dbraw/zinc/26/51/15/252265115.db2.gz FULYOGXOWHQIOA-NVXWUHKLSA-N 2 1 338.879 2.925 20 30 EFEDMP C#CCC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364084469 532988142 /nfs/dbraw/zinc/98/81/42/532988142.db2.gz USRKMEAWWLSSJQ-UHFFFAOYSA-N 2 1 347.547 2.691 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343557441 145237598 /nfs/dbraw/zinc/23/75/98/145237598.db2.gz VRXSUDUHFTWPRE-XLIONFOSSA-N 2 1 329.488 2.827 20 30 EFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543968 287141957 /nfs/dbraw/zinc/14/19/57/287141957.db2.gz BYJSHJUDQDTWQS-IRXDYDNUSA-N 2 1 326.488 2.720 20 30 EFEDMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289387251 266122896 /nfs/dbraw/zinc/12/28/96/266122896.db2.gz DHABKQLVVRSNSR-UHFFFAOYSA-N 2 1 325.460 2.732 20 30 EFEDMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289387251 266122897 /nfs/dbraw/zinc/12/28/97/266122897.db2.gz DHABKQLVVRSNSR-UHFFFAOYSA-N 2 1 325.460 2.732 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154711 /nfs/dbraw/zinc/15/47/11/266154711.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154715 /nfs/dbraw/zinc/15/47/15/266154715.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154718 /nfs/dbraw/zinc/15/47/18/266154718.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216034 /nfs/dbraw/zinc/21/60/34/268216034.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216035 /nfs/dbraw/zinc/21/60/35/268216035.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216036 /nfs/dbraw/zinc/21/60/36/268216036.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216037 /nfs/dbraw/zinc/21/60/37/268216037.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 2 1 347.462 2.655 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411419628 288156394 /nfs/dbraw/zinc/15/63/94/288156394.db2.gz TXOMTHLJZSPHGP-RTBURBONSA-N 2 1 332.536 2.808 20 30 EFEDMP CO[C@@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460365 294130046 /nfs/dbraw/zinc/13/00/46/294130046.db2.gz ZXLPWAZMOXTLDT-PMACEKPBSA-N 2 1 336.520 2.772 20 30 EFEDMP C[N@@H+](CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000327373976 311245220 /nfs/dbraw/zinc/24/52/20/311245220.db2.gz MOGVXGGKAUNCJW-IBGZPJMESA-N 2 1 345.487 2.542 20 30 EFEDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000566091111 319031483 /nfs/dbraw/zinc/03/14/83/319031483.db2.gz QFSDDDAHFFNKJX-QGPMSJSTSA-N 2 1 330.451 2.786 20 30 EFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571104 473224004 /nfs/dbraw/zinc/22/40/04/473224004.db2.gz WIOGSJSYQUMIMV-KRWDZBQOSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571104 473224007 /nfs/dbraw/zinc/22/40/07/473224007.db2.gz WIOGSJSYQUMIMV-KRWDZBQOSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571104 473224010 /nfs/dbraw/zinc/22/40/10/473224010.db2.gz WIOGSJSYQUMIMV-KRWDZBQOSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571104 473224016 /nfs/dbraw/zinc/22/40/16/473224016.db2.gz WIOGSJSYQUMIMV-KRWDZBQOSA-N 2 1 331.460 2.609 20 30 EFEDMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305358 /nfs/dbraw/zinc/30/53/58/473305358.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 1 326.488 2.550 20 30 EFEDMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305365 /nfs/dbraw/zinc/30/53/65/473305365.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 1 326.488 2.550 20 30 EFEDMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305373 /nfs/dbraw/zinc/30/53/73/473305373.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 1 326.488 2.550 20 30 EFEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083034087 473316873 /nfs/dbraw/zinc/31/68/73/473316873.db2.gz XANSZSJKDGTFFJ-DOTOQJQBSA-N 2 1 330.476 2.535 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171408378 473379999 /nfs/dbraw/zinc/37/99/99/473379999.db2.gz ZQLICIJHLZWPRF-SFHVURJKSA-N 2 1 340.471 2.509 20 30 EFEDMP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527582 478068986 /nfs/dbraw/zinc/06/89/86/478068986.db2.gz JZAWQEKEDNYCBB-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527582 478068993 /nfs/dbraw/zinc/06/89/93/478068993.db2.gz JZAWQEKEDNYCBB-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527582 478069003 /nfs/dbraw/zinc/06/90/03/478069003.db2.gz JZAWQEKEDNYCBB-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527582 478069008 /nfs/dbraw/zinc/06/90/08/478069008.db2.gz JZAWQEKEDNYCBB-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835719 472203776 /nfs/dbraw/zinc/20/37/76/472203776.db2.gz ATMCTZCAMKFKBN-GOSISDBHSA-N 2 1 343.471 2.753 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835719 472203783 /nfs/dbraw/zinc/20/37/83/472203783.db2.gz ATMCTZCAMKFKBN-GOSISDBHSA-N 2 1 343.471 2.753 20 30 EFEDMP C#CCNC(=[NH+]CC)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000119471674 472558376 /nfs/dbraw/zinc/55/83/76/472558376.db2.gz JRIXWAFWTBLUSD-PMACEKPBSA-N 2 1 338.499 2.572 20 30 EFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000058834460 472605272 /nfs/dbraw/zinc/60/52/72/472605272.db2.gz NXAQRZKRAYGNIY-UHFFFAOYSA-N 2 1 340.471 2.837 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000120233045 472653550 /nfs/dbraw/zinc/65/35/50/472653550.db2.gz BFRSSAHQFIDGSH-IRXDYDNUSA-N 2 1 329.488 2.699 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000104154944 472659447 /nfs/dbraw/zinc/65/94/47/472659447.db2.gz ICERZRAKTRKWNJ-MRXNPFEDSA-N 2 1 328.416 2.852 20 30 EFEDMP CCCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000104174967 472660043 /nfs/dbraw/zinc/66/00/43/472660043.db2.gz QGNLNYJYAYMNLR-GOSISDBHSA-N 2 1 332.492 2.502 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000106246014 472836042 /nfs/dbraw/zinc/83/60/42/472836042.db2.gz BTWPLMCWGZZCMD-UHFFFAOYSA-N 2 1 334.460 2.843 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043474 472847308 /nfs/dbraw/zinc/84/73/08/472847308.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043474 472847312 /nfs/dbraw/zinc/84/73/12/472847312.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043474 472847315 /nfs/dbraw/zinc/84/73/15/472847315.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710699 472858629 /nfs/dbraw/zinc/85/86/29/472858629.db2.gz KBSITDKRUCCTOJ-CEXWTWQISA-N 2 1 348.535 2.563 20 30 EFEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccccc1Cl ZINC000073763041 472870613 /nfs/dbraw/zinc/87/06/13/472870613.db2.gz CSZLHWHYDCDBLH-CQSZACIVSA-N 2 1 334.895 2.832 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048714868 472903109 /nfs/dbraw/zinc/90/31/09/472903109.db2.gz SJKOXYXSCXOTPF-UHFFFAOYSA-N 2 1 348.494 2.986 20 30 EFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079979174 472953077 /nfs/dbraw/zinc/95/30/77/472953077.db2.gz JCNFZUFYOQUYKS-SFHVURJKSA-N 2 1 348.535 2.583 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918349 472989293 /nfs/dbraw/zinc/98/92/93/472989293.db2.gz ADUKVGXOMBTXKJ-ZHALLVOQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918349 472989298 /nfs/dbraw/zinc/98/92/98/472989298.db2.gz ADUKVGXOMBTXKJ-ZHALLVOQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918349 472989305 /nfs/dbraw/zinc/98/93/05/472989305.db2.gz ADUKVGXOMBTXKJ-ZHALLVOQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918349 472989311 /nfs/dbraw/zinc/98/93/11/472989311.db2.gz ADUKVGXOMBTXKJ-ZHALLVOQSA-N 2 1 331.504 2.524 20 30 EFEDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000108428598 473026658 /nfs/dbraw/zinc/02/66/58/473026658.db2.gz WPRCQZYFXXVHSA-QGZVFWFLSA-N 2 1 331.460 2.809 20 30 EFEDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000108428600 473027014 /nfs/dbraw/zinc/02/70/14/473027014.db2.gz WPRCQZYFXXVHSA-KRWDZBQOSA-N 2 1 331.460 2.809 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597869 473121248 /nfs/dbraw/zinc/12/12/48/473121248.db2.gz ZCWLZVKXWRYSTD-LJQANCHMSA-N 2 1 326.488 2.954 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000136588908 473165755 /nfs/dbraw/zinc/16/57/55/473165755.db2.gz OFUXSNRVISFXRM-WOJBJXKFSA-N 2 1 342.483 2.556 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782147 473512307 /nfs/dbraw/zinc/51/23/07/473512307.db2.gz QGBQXAMXPBUSCR-NHCUHLMSSA-N 2 1 340.515 2.996 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782129 473513065 /nfs/dbraw/zinc/51/30/65/473513065.db2.gz QGBQXAMXPBUSCR-SFTDATJTSA-N 2 1 340.515 2.996 20 30 EFEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479623 473566959 /nfs/dbraw/zinc/56/69/59/473566959.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 1 342.487 2.595 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)CC1 ZINC000153051216 473606383 /nfs/dbraw/zinc/60/63/83/473606383.db2.gz ILVVLCQIITVBKW-SFHVURJKSA-N 2 1 343.515 2.754 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287581108 473701380 /nfs/dbraw/zinc/70/13/80/473701380.db2.gz HJMPTJZYEWQMDJ-MRXNPFEDSA-N 2 1 325.460 2.958 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000274250808 473771665 /nfs/dbraw/zinc/77/16/65/473771665.db2.gz YWLABOGUESIRPT-FYQPLNBISA-N 2 1 327.472 2.541 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000274250808 473771669 /nfs/dbraw/zinc/77/16/69/473771669.db2.gz YWLABOGUESIRPT-FYQPLNBISA-N 2 1 327.472 2.541 20 30 EFEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180038905 473782935 /nfs/dbraw/zinc/78/29/35/473782935.db2.gz FIEUOLHLQGMJAA-UHFFFAOYSA-N 2 1 335.455 2.675 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000187014618 473801329 /nfs/dbraw/zinc/80/13/29/473801329.db2.gz FHSLRTLSXFVJIG-YLJYHZDGSA-N 2 1 332.463 2.904 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000187014618 473801336 /nfs/dbraw/zinc/80/13/36/473801336.db2.gz FHSLRTLSXFVJIG-YLJYHZDGSA-N 2 1 332.463 2.904 20 30 EFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246282972 473815473 /nfs/dbraw/zinc/81/54/73/473815473.db2.gz BBDBYLNSFPTGAI-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246282972 473815486 /nfs/dbraw/zinc/81/54/86/473815486.db2.gz BBDBYLNSFPTGAI-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246282972 473815494 /nfs/dbraw/zinc/81/54/94/473815494.db2.gz BBDBYLNSFPTGAI-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286112 473845018 /nfs/dbraw/zinc/84/50/18/473845018.db2.gz HAADMFQAQLVYPZ-RDTXWAMCSA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286112 473845024 /nfs/dbraw/zinc/84/50/24/473845024.db2.gz HAADMFQAQLVYPZ-RDTXWAMCSA-N 2 1 335.455 2.674 20 30 EFEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936324 473889082 /nfs/dbraw/zinc/88/90/82/473889082.db2.gz IMYBCXOYHSLMKJ-LPHOPBHVSA-N 2 1 338.455 2.596 20 30 EFEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000180988325 473996121 /nfs/dbraw/zinc/99/61/21/473996121.db2.gz YQIHWQPGRAAXRB-NRFANRHFSA-N 2 1 335.451 2.805 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000180988173 473997094 /nfs/dbraw/zinc/99/70/94/473997094.db2.gz VXRTVFZRSJYBGR-QGZVFWFLSA-N 2 1 341.480 2.866 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195198825 474027944 /nfs/dbraw/zinc/02/79/44/474027944.db2.gz UERKCNXTOZXNMK-LJQANCHMSA-N 2 1 337.508 2.874 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181480890 474038191 /nfs/dbraw/zinc/03/81/91/474038191.db2.gz LZTIHWSHTRXVNC-LJQANCHMSA-N 2 1 338.499 2.597 20 30 EFEDMP C[C@@H]1CCC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181507165 474041519 /nfs/dbraw/zinc/04/15/19/474041519.db2.gz USYSNVCHKKAGHU-GOSISDBHSA-N 2 1 340.515 2.844 20 30 EFEDMP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181507165 474041527 /nfs/dbraw/zinc/04/15/27/474041527.db2.gz USYSNVCHKKAGHU-GOSISDBHSA-N 2 1 340.515 2.844 20 30 EFEDMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270562242 474170388 /nfs/dbraw/zinc/17/03/88/474170388.db2.gz KDWXRTDGNDTHSY-WFASDCNBSA-N 2 1 326.847 2.786 20 30 EFEDMP CC[N@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289418183 474262310 /nfs/dbraw/zinc/26/23/10/474262310.db2.gz ISFBNQGYQAMEPK-UHFFFAOYSA-N 2 1 340.475 2.632 20 30 EFEDMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289418183 474262316 /nfs/dbraw/zinc/26/23/16/474262316.db2.gz ISFBNQGYQAMEPK-UHFFFAOYSA-N 2 1 340.475 2.632 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CCN(C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000175796756 474311145 /nfs/dbraw/zinc/31/11/45/474311145.db2.gz WNZQBZXCVVTFDD-SCTDSRPQSA-N 2 1 332.492 2.641 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000175796756 474311162 /nfs/dbraw/zinc/31/11/62/474311162.db2.gz WNZQBZXCVVTFDD-SCTDSRPQSA-N 2 1 332.492 2.641 20 30 EFEDMP N#Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828691 474352003 /nfs/dbraw/zinc/35/20/03/474352003.db2.gz CGXIXEILSBJTFH-LEWJYISDSA-N 2 1 335.451 2.531 20 30 EFEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266974936 474552529 /nfs/dbraw/zinc/55/25/29/474552529.db2.gz IIZFBRCSOKIKRC-UHFFFAOYSA-N 2 1 330.398 2.840 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000249460232 474575441 /nfs/dbraw/zinc/57/54/41/474575441.db2.gz QQIWTSMDVRGRAY-HKUYNNGSSA-N 2 1 345.487 2.664 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290563714 474577391 /nfs/dbraw/zinc/57/73/91/474577391.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290563714 474577397 /nfs/dbraw/zinc/57/73/97/474577397.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290563714 474577400 /nfs/dbraw/zinc/57/74/00/474577400.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271865959 474596357 /nfs/dbraw/zinc/59/63/57/474596357.db2.gz LNJZAOAVSYODHW-UHFFFAOYSA-N 2 1 337.471 2.708 20 30 EFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478477 474656142 /nfs/dbraw/zinc/65/61/42/474656142.db2.gz KJNHDUTWLHBTLS-IRXDYDNUSA-N 2 1 331.460 2.740 20 30 EFEDMP CN(C)C(=[NH+]Cc1ccccc1C[N@H+](C)Cc1ccco1)N(C)C ZINC000267390162 474665818 /nfs/dbraw/zinc/66/58/18/474665818.db2.gz CTNXWEUJKHCWSI-UHFFFAOYSA-N 2 1 328.460 2.891 20 30 EFEDMP CN(C)C(=[NH+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)N(C)C ZINC000267390162 474665830 /nfs/dbraw/zinc/66/58/30/474665830.db2.gz CTNXWEUJKHCWSI-UHFFFAOYSA-N 2 1 328.460 2.891 20 30 EFEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267407265 474666833 /nfs/dbraw/zinc/66/68/33/474666833.db2.gz HFYLPTCBUGPYEZ-UHFFFAOYSA-N 2 1 326.444 2.892 20 30 EFEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267407265 474666841 /nfs/dbraw/zinc/66/68/41/474666841.db2.gz HFYLPTCBUGPYEZ-UHFFFAOYSA-N 2 1 326.444 2.892 20 30 EFEDMP CCNC(NCc1ccccc1C[N@H+](C)Cc1ccco1)=[NH+]CC ZINC000267410673 474668472 /nfs/dbraw/zinc/66/84/72/474668472.db2.gz IHRWIBBGGBNCHN-UHFFFAOYSA-N 2 1 328.460 2.987 20 30 EFEDMP CCNC(NCc1ccccc1C[N@@H+](C)Cc1ccco1)=[NH+]CC ZINC000267410673 474668480 /nfs/dbraw/zinc/66/84/80/474668480.db2.gz IHRWIBBGGBNCHN-UHFFFAOYSA-N 2 1 328.460 2.987 20 30 EFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339014330 474835297 /nfs/dbraw/zinc/83/52/97/474835297.db2.gz RFFOQTZXAVWEGI-QUCCMNQESA-N 2 1 332.536 2.807 20 30 EFEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339014330 474835302 /nfs/dbraw/zinc/83/53/02/474835302.db2.gz RFFOQTZXAVWEGI-QUCCMNQESA-N 3 1 332.536 2.807 20 30 EFEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339014330 474835309 /nfs/dbraw/zinc/83/53/09/474835309.db2.gz RFFOQTZXAVWEGI-QUCCMNQESA-N 3 1 332.536 2.807 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000341111045 474983735 /nfs/dbraw/zinc/98/37/35/474983735.db2.gz VRPOSRDFLYFNJA-LJQANCHMSA-N 2 1 348.535 2.591 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000294979858 475095074 /nfs/dbraw/zinc/09/50/74/475095074.db2.gz KONNIGUVBZRRSY-QGZVFWFLSA-N 2 1 340.471 2.546 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000294979858 475095087 /nfs/dbraw/zinc/09/50/87/475095087.db2.gz KONNIGUVBZRRSY-QGZVFWFLSA-N 2 1 340.471 2.546 20 30 EFEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000329695219 475112672 /nfs/dbraw/zinc/11/26/72/475112672.db2.gz XJFLGCOTCVVNHC-BRWVUGGUSA-N 2 1 345.491 2.623 20 30 EFEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000329695219 475112678 /nfs/dbraw/zinc/11/26/78/475112678.db2.gz XJFLGCOTCVVNHC-BRWVUGGUSA-N 2 1 345.491 2.623 20 30 EFEDMP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330244212 475217365 /nfs/dbraw/zinc/21/73/65/475217365.db2.gz CZMMQHKJEYEWJF-ZACQAIPSSA-N 2 1 345.491 2.971 20 30 EFEDMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000330297166 475224564 /nfs/dbraw/zinc/22/45/64/475224564.db2.gz KQZUFVHSUUGKPH-QGZVFWFLSA-N 2 1 345.491 2.686 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331866953 475438743 /nfs/dbraw/zinc/43/87/43/475438743.db2.gz GIDJDVQNRGWJDZ-IAGOWNOFSA-N 2 1 347.463 2.905 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266422 475542579 /nfs/dbraw/zinc/54/25/79/475542579.db2.gz ADVUVWDGOOQNKP-KRWDZBQOSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266422 475542585 /nfs/dbraw/zinc/54/25/85/475542585.db2.gz ADVUVWDGOOQNKP-KRWDZBQOSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266422 475542593 /nfs/dbraw/zinc/54/25/93/475542593.db2.gz ADVUVWDGOOQNKP-KRWDZBQOSA-N 2 1 340.471 2.551 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266423 475543181 /nfs/dbraw/zinc/54/31/81/475543181.db2.gz ADVUVWDGOOQNKP-QGZVFWFLSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266423 475543190 /nfs/dbraw/zinc/54/31/90/475543190.db2.gz ADVUVWDGOOQNKP-QGZVFWFLSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266423 475543196 /nfs/dbraw/zinc/54/31/96/475543196.db2.gz ADVUVWDGOOQNKP-QGZVFWFLSA-N 2 1 340.471 2.551 20 30 EFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345958698 475546895 /nfs/dbraw/zinc/54/68/95/475546895.db2.gz XPBOUPHIEHXOKR-CALCHBBNSA-N 2 1 337.508 2.516 20 30 EFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345958698 475546905 /nfs/dbraw/zinc/54/69/05/475546905.db2.gz XPBOUPHIEHXOKR-CALCHBBNSA-N 2 1 337.508 2.516 20 30 EFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000345958701 475547549 /nfs/dbraw/zinc/54/75/49/475547549.db2.gz XPBOUPHIEHXOKR-IAGOWNOFSA-N 2 1 337.508 2.516 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CCC(C)(C)C#N ZINC000352718075 475560713 /nfs/dbraw/zinc/56/07/13/475560713.db2.gz FGIBOFXJMDXMCL-UHFFFAOYSA-N 2 1 328.504 2.676 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000352720063 475562605 /nfs/dbraw/zinc/56/26/05/475562605.db2.gz QNLKQZYUTWRSDJ-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369812048 476537234 /nfs/dbraw/zinc/53/72/34/476537234.db2.gz ZAGRWWFKKLOMIO-HNNXBMFYSA-N 2 1 346.500 2.756 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369812048 476537241 /nfs/dbraw/zinc/53/72/41/476537241.db2.gz ZAGRWWFKKLOMIO-HNNXBMFYSA-N 2 1 346.500 2.756 20 30 EFEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1c[nH+]ccc1N ZINC000422975280 476874833 /nfs/dbraw/zinc/87/48/33/476874833.db2.gz GKIFUAFHZRQOAZ-ZFWWWQNUSA-N 2 1 339.418 2.825 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411163137 477134476 /nfs/dbraw/zinc/13/44/76/477134476.db2.gz IMQSENDLWDHMNR-GOSISDBHSA-N 2 1 341.499 2.830 20 30 EFEDMP C=C[C@H](CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156266 477156405 /nfs/dbraw/zinc/15/64/05/477156405.db2.gz QPXXYOZPJOZYOG-MJGOQNOKSA-N 2 1 341.499 2.631 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102675 477670268 /nfs/dbraw/zinc/67/02/68/477670268.db2.gz YYMIQGSWQFVMOB-AGERRDQYSA-N 2 1 328.460 2.573 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102675 477670276 /nfs/dbraw/zinc/67/02/76/477670276.db2.gz YYMIQGSWQFVMOB-AGERRDQYSA-N 2 1 328.460 2.573 20 30 EFEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298138 477672219 /nfs/dbraw/zinc/67/22/19/477672219.db2.gz GVBWOMKEVCEHBL-DLBZAZTESA-N 2 1 340.475 2.601 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000420339079 477708684 /nfs/dbraw/zinc/70/86/84/477708684.db2.gz QGEJXXSJZKSPNE-IBGZPJMESA-N 2 1 329.488 2.938 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(C#N)cs2)c2cccs2)CC1 ZINC000530879587 477892158 /nfs/dbraw/zinc/89/21/58/477892158.db2.gz IFTNTYFHHWNNKT-MRXNPFEDSA-N 2 1 346.525 2.760 20 30 EFEDMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726828 478060822 /nfs/dbraw/zinc/06/08/22/478060822.db2.gz BUGONIJDSGTMJT-LJQANCHMSA-N 2 1 340.515 2.844 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000535227969 478202750 /nfs/dbraw/zinc/20/27/50/478202750.db2.gz YSDVJSZKKRKSDB-UHFFFAOYSA-N 2 1 329.444 2.509 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000441245941 478202944 /nfs/dbraw/zinc/20/29/44/478202944.db2.gz OCULWRLNOUTXOY-ZIFCJYIRSA-N 2 1 348.535 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000580065176 478353173 /nfs/dbraw/zinc/35/31/73/478353173.db2.gz MUVCSNIXHAFDHE-IBGZPJMESA-N 2 1 332.488 2.673 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000581472124 478379668 /nfs/dbraw/zinc/37/96/68/478379668.db2.gz HEOXYKJBRCVELR-UHFFFAOYSA-N 2 1 327.432 2.805 20 30 EFEDMP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000570912640 478477858 /nfs/dbraw/zinc/47/78/58/478477858.db2.gz BIIKIVTZXUDUKL-IOJLRTSASA-N 2 1 327.472 2.815 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718586 478483673 /nfs/dbraw/zinc/48/36/73/478483673.db2.gz YMIJSZGZOUDPLC-HKUYNNGSSA-N 2 1 345.487 2.542 20 30 EFEDMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594957111 478604708 /nfs/dbraw/zinc/60/47/08/478604708.db2.gz NOBVQDRLKMTQBP-HXUWFJFHSA-N 2 1 340.515 2.985 20 30 EFEDMP CCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594990793 478620205 /nfs/dbraw/zinc/62/02/05/478620205.db2.gz AEQKLMGEVOFYTR-FQEVSTJZSA-N 2 1 326.488 2.597 20 30 EFEDMP CCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594990793 478620210 /nfs/dbraw/zinc/62/02/10/478620210.db2.gz AEQKLMGEVOFYTR-FQEVSTJZSA-N 2 1 326.488 2.597 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491812926 478692286 /nfs/dbraw/zinc/69/22/86/478692286.db2.gz PIMGYNUTRQEXLI-SJORKVTESA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491812926 478692292 /nfs/dbraw/zinc/69/22/92/478692292.db2.gz PIMGYNUTRQEXLI-SJORKVTESA-N 2 1 337.508 2.567 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595297087 478720114 /nfs/dbraw/zinc/72/01/14/478720114.db2.gz BCCUGGIEDTTXFQ-KDURUIRLSA-N 2 1 340.515 2.591 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000592290862 478854856 /nfs/dbraw/zinc/85/48/56/478854856.db2.gz HITCYIPEYQNHIT-UHFFFAOYSA-N 2 1 327.472 2.709 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000592290794 478855009 /nfs/dbraw/zinc/85/50/09/478855009.db2.gz CYIMHYMFGHECSF-UHFFFAOYSA-N 2 1 329.423 2.537 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000565358199 478987385 /nfs/dbraw/zinc/98/73/85/478987385.db2.gz MLDXGHYUOASXSC-PKOBYXMFSA-N 2 1 345.487 2.542 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598727647 478993214 /nfs/dbraw/zinc/99/32/14/478993214.db2.gz YMXSXEYTPCXIFV-BHIYHBOVSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598727647 478993216 /nfs/dbraw/zinc/99/32/16/478993216.db2.gz YMXSXEYTPCXIFV-BHIYHBOVSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967078 479099982 /nfs/dbraw/zinc/09/99/82/479099982.db2.gz HRUKNLIEXHEVQL-NZSAHSFTSA-N 2 1 329.488 2.645 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2ccncc2)C1)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000567246152 479104202 /nfs/dbraw/zinc/10/42/02/479104202.db2.gz GYINUVGDTJYJLO-VXKWHMMOSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2cccnc2)C1)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000568877482 479131792 /nfs/dbraw/zinc/13/17/92/479131792.db2.gz JTQCEONBVVCXOC-FGZHOGPDSA-N 2 1 346.478 2.759 20 30 EFEDMP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)CC1 ZINC000551001540 479147152 /nfs/dbraw/zinc/14/71/52/479147152.db2.gz ICTCSCYCBHAPNV-KRWDZBQOSA-N 2 1 326.444 2.693 20 30 EFEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110033 479252922 /nfs/dbraw/zinc/25/29/22/479252922.db2.gz KDVBLHZJWSQUHO-SFHVURJKSA-N 2 1 348.535 2.915 20 30 EFEDMP C[C@H](CCC#N)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000602462340 479347828 /nfs/dbraw/zinc/34/78/28/479347828.db2.gz BCWJKGUPLAAFRN-LJQANCHMSA-N 2 1 328.504 2.676 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390957 479366055 /nfs/dbraw/zinc/36/60/55/479366055.db2.gz XMYHBPYEVTVVSM-NRFANRHFSA-N 2 1 340.515 2.943 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517222 479398537 /nfs/dbraw/zinc/39/85/37/479398537.db2.gz JHSXRBHQGBWDDQ-FQEVSTJZSA-N 2 1 330.472 2.984 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593701996 479429049 /nfs/dbraw/zinc/42/90/49/479429049.db2.gz JRKFSYKVZBFNSZ-DYESRHJHSA-N 2 1 340.515 2.843 20 30 EFEDMP C[C@@H](CCC#N)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665643 479460857 /nfs/dbraw/zinc/46/08/57/479460857.db2.gz WNTAIQUQIIKZQJ-FPOVZHCZSA-N 2 1 340.515 2.818 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000618561373 479493392 /nfs/dbraw/zinc/49/33/92/479493392.db2.gz BDOGWPDGCQXOCU-YESZJQIVSA-N 2 1 332.517 2.709 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705493 481273929 /nfs/dbraw/zinc/27/39/29/481273929.db2.gz JKJXGEJGHBQLPJ-NLWGTHIKSA-N 2 1 330.472 2.970 20 30 EFEDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000181875656 534111387 /nfs/dbraw/zinc/11/13/87/534111387.db2.gz CLUHITXGSRXPJB-JXFKEZNVSA-N 2 1 338.499 2.737 20 30 EFEDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000181875656 534111402 /nfs/dbraw/zinc/11/14/02/534111402.db2.gz CLUHITXGSRXPJB-JXFKEZNVSA-N 2 1 338.499 2.737 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000119042851 522042407 /nfs/dbraw/zinc/04/24/07/522042407.db2.gz MDEAYIFSCCOFJZ-GOSISDBHSA-N 2 1 343.471 2.896 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000119042851 522042415 /nfs/dbraw/zinc/04/24/15/522042415.db2.gz MDEAYIFSCCOFJZ-GOSISDBHSA-N 2 1 343.471 2.896 20 30 EFEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557806 528254603 /nfs/dbraw/zinc/25/46/03/528254603.db2.gz GUPVJUSAYTWZAZ-FQEVSTJZSA-N 2 1 340.515 2.844 20 30 EFEDMP CC[N@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181653941 528508268 /nfs/dbraw/zinc/50/82/68/528508268.db2.gz DWTWADXCIVXJJB-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP CC[N@@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181653941 528508274 /nfs/dbraw/zinc/50/82/74/528508274.db2.gz DWTWADXCIVXJJB-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@H](C)C1 ZINC000187010796 528663202 /nfs/dbraw/zinc/66/32/02/528663202.db2.gz QQIWTSMDVRGRAY-IEBWSBKVSA-N 2 1 345.487 2.664 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690491 535548798 /nfs/dbraw/zinc/54/87/98/535548798.db2.gz CDLLVLGGCQPKIT-DVOMOZLQSA-N 2 1 338.858 2.724 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461706 535597458 /nfs/dbraw/zinc/59/74/58/535597458.db2.gz MPMRZUJYLHQTLZ-XIRDDKMYSA-N 2 1 334.895 2.975 20 30 EFEDMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000328656722 535768247 /nfs/dbraw/zinc/76/82/47/535768247.db2.gz OCJGEIAKPFHTGI-BHYGNILZSA-N 2 1 331.460 2.787 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000328656722 535768250 /nfs/dbraw/zinc/76/82/50/535768250.db2.gz OCJGEIAKPFHTGI-BHYGNILZSA-N 2 1 331.460 2.787 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657352247 547126184 /nfs/dbraw/zinc/12/61/84/547126184.db2.gz HDDAPHCMTCXAFO-FQEVSTJZSA-N 2 1 330.472 2.984 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000773981860 581476733 /nfs/dbraw/zinc/47/67/33/581476733.db2.gz MBRCGDNBSCUAOP-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773981860 581476735 /nfs/dbraw/zinc/47/67/35/581476735.db2.gz MBRCGDNBSCUAOP-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000773981860 581476737 /nfs/dbraw/zinc/47/67/37/581476737.db2.gz MBRCGDNBSCUAOP-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000773981860 581476738 /nfs/dbraw/zinc/47/67/38/581476738.db2.gz MBRCGDNBSCUAOP-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001752706462 1250828848 /nfs/dbraw/zinc/82/88/48/1250828848.db2.gz HWAMQMALITUMSR-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001752706463 1250829490 /nfs/dbraw/zinc/82/94/90/1250829490.db2.gz HWAMQMALITUMSR-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001752829760 1251594262 /nfs/dbraw/zinc/59/42/62/1251594262.db2.gz VCAWYYBTQJLBAV-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834940 1251683246 /nfs/dbraw/zinc/68/32/46/1251683246.db2.gz ZNBGYOXYJCVIAL-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493462 1252059526 /nfs/dbraw/zinc/05/95/26/1252059526.db2.gz XCJFWZINJAKDAP-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493462 1252059537 /nfs/dbraw/zinc/05/95/37/1252059537.db2.gz XCJFWZINJAKDAP-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493462 1252059549 /nfs/dbraw/zinc/05/95/49/1252059549.db2.gz XCJFWZINJAKDAP-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683867 1252166814 /nfs/dbraw/zinc/16/68/14/1252166814.db2.gz IGBKKPQKGCVJNJ-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683867 1252166825 /nfs/dbraw/zinc/16/68/25/1252166825.db2.gz IGBKKPQKGCVJNJ-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683867 1252166842 /nfs/dbraw/zinc/16/68/42/1252166842.db2.gz IGBKKPQKGCVJNJ-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCCC)CC1 ZINC001089733858 1252327681 /nfs/dbraw/zinc/32/76/81/1252327681.db2.gz BBSAQNCGPLMQDW-LJQANCHMSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(C)C)CC1 ZINC001089733910 1252327825 /nfs/dbraw/zinc/32/78/25/1252327825.db2.gz CHECQQMFOPGBEX-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733768 1252328462 /nfs/dbraw/zinc/32/84/62/1252328462.db2.gz BDMFTIBZFCZTPD-GOSISDBHSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945333734 1253183967 /nfs/dbraw/zinc/18/39/67/1253183967.db2.gz KIFFWXULDXNFKB-DOTOQJQBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895508 1254819022 /nfs/dbraw/zinc/81/90/22/1254819022.db2.gz LQVYDUFWYHVFOO-HZPDHXFCSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995990913 1254920177 /nfs/dbraw/zinc/92/01/77/1254920177.db2.gz CQPQTYFONCKAST-HZPDHXFCSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996381874 1255264838 /nfs/dbraw/zinc/26/48/38/1255264838.db2.gz ZUOQFGWETKEAQU-JKSUJKDBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676068 1255724719 /nfs/dbraw/zinc/72/47/19/1255724719.db2.gz LIZBSHSWXQXQCZ-IRXDYDNUSA-N 2 1 349.906 2.868 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000996685463 1255742726 /nfs/dbraw/zinc/74/27/26/1255742726.db2.gz POLQQHGHXRQPLZ-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000996685463 1255742734 /nfs/dbraw/zinc/74/27/34/1255742734.db2.gz POLQQHGHXRQPLZ-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439097 1255823768 /nfs/dbraw/zinc/82/37/68/1255823768.db2.gz RDSYUJDGFCRDPU-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439097 1255823785 /nfs/dbraw/zinc/82/37/85/1255823785.db2.gz RDSYUJDGFCRDPU-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439097 1255823794 /nfs/dbraw/zinc/82/37/94/1255823794.db2.gz RDSYUJDGFCRDPU-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442915 1255830930 /nfs/dbraw/zinc/83/09/30/1255830930.db2.gz RJHNHIJFSHSYJO-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442915 1255830951 /nfs/dbraw/zinc/83/09/51/1255830951.db2.gz RJHNHIJFSHSYJO-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442915 1255830961 /nfs/dbraw/zinc/83/09/61/1255830961.db2.gz RJHNHIJFSHSYJO-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473137 1255925056 /nfs/dbraw/zinc/92/50/56/1255925056.db2.gz CXZBJRLJRDBGLL-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473137 1255925063 /nfs/dbraw/zinc/92/50/63/1255925063.db2.gz CXZBJRLJRDBGLL-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001107481095 1255934912 /nfs/dbraw/zinc/93/49/12/1255934912.db2.gz GRQQJZQTOKPSCK-YLJYHZDGSA-N 2 1 344.503 2.680 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107481603 1255960899 /nfs/dbraw/zinc/96/08/99/1255960899.db2.gz APDLWAKJGBAINM-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491883 1255989657 /nfs/dbraw/zinc/98/96/57/1255989657.db2.gz OEAPNKUDTGVGPP-IEBWSBKVSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006232166 1266031606 /nfs/dbraw/zinc/03/16/06/1266031606.db2.gz IYBLHJUSMQYTDN-UHFFFAOYSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652621 1256367701 /nfs/dbraw/zinc/36/77/01/1256367701.db2.gz YEMKPLIHCXXBFV-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000997006500 1256668688 /nfs/dbraw/zinc/66/86/88/1256668688.db2.gz MHIMYTZATLESNK-KRWDZBQOSA-N 2 1 345.890 2.532 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997080636 1256797593 /nfs/dbraw/zinc/79/75/93/1256797593.db2.gz WBHDGYKZJLWBKH-WBVHZDCISA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997080636 1256797600 /nfs/dbraw/zinc/79/76/00/1256797600.db2.gz WBHDGYKZJLWBKH-WBVHZDCISA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997094757 1256841618 /nfs/dbraw/zinc/84/16/18/1256841618.db2.gz YPVMSEPIPNRNFF-HYVNUMGLSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094757 1256841626 /nfs/dbraw/zinc/84/16/26/1256841626.db2.gz YPVMSEPIPNRNFF-HYVNUMGLSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132454 1257023874 /nfs/dbraw/zinc/02/38/74/1257023874.db2.gz MEFJKZFGPHAUDK-MJGOQNOKSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132453 1257024058 /nfs/dbraw/zinc/02/40/58/1257024058.db2.gz MEFJKZFGPHAUDK-IEBWSBKVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000997147134 1257072015 /nfs/dbraw/zinc/07/20/15/1257072015.db2.gz NLQAAYIXOZZZBO-DJIMGWMZSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997160753 1257167449 /nfs/dbraw/zinc/16/74/49/1257167449.db2.gz BTSXEMZBTASQLO-KRWDZBQOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997277725 1257322974 /nfs/dbraw/zinc/32/29/74/1257322974.db2.gz XQFAHDSZGPFJKU-CRAIPNDOSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997278651 1257324137 /nfs/dbraw/zinc/32/41/37/1257324137.db2.gz IDEDHUJZFLZUTC-UXLLHSPISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997278651 1257324143 /nfs/dbraw/zinc/32/41/43/1257324143.db2.gz IDEDHUJZFLZUTC-UXLLHSPISA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997278574 1257324367 /nfs/dbraw/zinc/32/43/67/1257324367.db2.gz GIOWGTBZXTYTEP-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089910032 1257555921 /nfs/dbraw/zinc/55/59/21/1257555921.db2.gz ODRJXMCPLZIWRU-MUGJNUQGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910035 1257589578 /nfs/dbraw/zinc/58/95/78/1257589578.db2.gz ODRJXMCPLZIWRU-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997613927 1258116950 /nfs/dbraw/zinc/11/69/50/1258116950.db2.gz MEFJKZFGPHAUDK-PKOBYXMFSA-N 2 1 335.536 2.757 20 30 EFEDMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001168595649 1258378585 /nfs/dbraw/zinc/37/85/85/1258378585.db2.gz NNSQNGGEFZSMOA-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941090 1258769095 /nfs/dbraw/zinc/76/90/95/1258769095.db2.gz XHYFOJIRGSMWPJ-HZPDHXFCSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941090 1258769098 /nfs/dbraw/zinc/76/90/98/1258769098.db2.gz XHYFOJIRGSMWPJ-HZPDHXFCSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997947164 1258820514 /nfs/dbraw/zinc/82/05/14/1258820514.db2.gz AIGNIMDCHZTZER-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997947164 1258820516 /nfs/dbraw/zinc/82/05/16/1258820516.db2.gz AIGNIMDCHZTZER-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997947164 1258820518 /nfs/dbraw/zinc/82/05/18/1258820518.db2.gz AIGNIMDCHZTZER-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005622 1258934363 /nfs/dbraw/zinc/93/43/63/1258934363.db2.gz QTCSENBYWXAFMT-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005622 1258934369 /nfs/dbraw/zinc/93/43/69/1258934369.db2.gz QTCSENBYWXAFMT-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005622 1258934374 /nfs/dbraw/zinc/93/43/74/1258934374.db2.gz QTCSENBYWXAFMT-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998005628 1258935265 /nfs/dbraw/zinc/93/52/65/1258935265.db2.gz HBDXKQSQVKEOGS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005628 1258935270 /nfs/dbraw/zinc/93/52/70/1258935270.db2.gz HBDXKQSQVKEOGS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005628 1258935274 /nfs/dbraw/zinc/93/52/74/1258935274.db2.gz HBDXKQSQVKEOGS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018358 1258962263 /nfs/dbraw/zinc/96/22/63/1258962263.db2.gz OQYZFEZUNPJNGB-BRWVUGGUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998018358 1258962269 /nfs/dbraw/zinc/96/22/69/1258962269.db2.gz OQYZFEZUNPJNGB-BRWVUGGUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998018358 1258962273 /nfs/dbraw/zinc/96/22/73/1258962273.db2.gz OQYZFEZUNPJNGB-BRWVUGGUSA-N 2 1 341.927 2.782 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020294 1258971307 /nfs/dbraw/zinc/97/13/07/1258971307.db2.gz CDWQENZQGHARQI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020294 1258971314 /nfs/dbraw/zinc/97/13/14/1258971314.db2.gz CDWQENZQGHARQI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020294 1258971320 /nfs/dbraw/zinc/97/13/20/1258971320.db2.gz CDWQENZQGHARQI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047572 1259022990 /nfs/dbraw/zinc/02/29/90/1259022990.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 1 344.503 2.712 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000998152105 1259166984 /nfs/dbraw/zinc/16/69/84/1259166984.db2.gz XVKCDDRQVXQFOA-FQEVSTJZSA-N 2 1 341.499 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629943 1259443862 /nfs/dbraw/zinc/44/38/62/1259443862.db2.gz QZLJUCPOYPFLJO-PMACEKPBSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998769430 1259925944 /nfs/dbraw/zinc/92/59/44/1259925944.db2.gz LRDHGGYVCIOSCS-MUYFXNHWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144463 1260171900 /nfs/dbraw/zinc/17/19/00/1260171900.db2.gz QDPRKFFMHCUJPN-UTKZUKDTSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144463 1260171905 /nfs/dbraw/zinc/17/19/05/1260171905.db2.gz QDPRKFFMHCUJPN-UTKZUKDTSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144463 1260171908 /nfs/dbraw/zinc/17/19/08/1260171908.db2.gz QDPRKFFMHCUJPN-UTKZUKDTSA-N 2 1 339.483 2.505 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999159377 1260266690 /nfs/dbraw/zinc/26/66/90/1260266690.db2.gz ADMJINWJSUZVOQ-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999199273 1260344737 /nfs/dbraw/zinc/34/47/37/1260344737.db2.gz FWZWGDIJGDEIOR-CABCVRRESA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999506828 1260695126 /nfs/dbraw/zinc/69/51/26/1260695126.db2.gz SFVYYHURWNSANL-GPANFISMSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902377 1261662539 /nfs/dbraw/zinc/66/25/39/1261662539.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902377 1261662547 /nfs/dbraw/zinc/66/25/47/1261662547.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902377 1261662555 /nfs/dbraw/zinc/66/25/55/1261662555.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902719 1261691207 /nfs/dbraw/zinc/69/12/07/1261691207.db2.gz WOTLAQKCNXBPIF-MKXGPGLRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946902789 1261692670 /nfs/dbraw/zinc/69/26/70/1261692670.db2.gz ZCTGJZDLNIIVEQ-HDICACEKSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904359 1261724294 /nfs/dbraw/zinc/72/42/94/1261724294.db2.gz DHRIOKGUVLHDGJ-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812581 1262101770 /nfs/dbraw/zinc/10/17/70/1262101770.db2.gz LDFUPEJRLIECNU-HOTGVXAUSA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C(C)(C)C ZINC001486416010 1263094871 /nfs/dbraw/zinc/09/48/71/1263094871.db2.gz HSVCZPQSGLOOFV-AWEZNQCLSA-N 2 1 340.899 2.880 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098876036 1263187687 /nfs/dbraw/zinc/18/76/87/1263187687.db2.gz ZSBULDOPYSWIBE-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098876036 1263187690 /nfs/dbraw/zinc/18/76/90/1263187690.db2.gz ZSBULDOPYSWIBE-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098876036 1263187699 /nfs/dbraw/zinc/18/76/99/1263187699.db2.gz ZSBULDOPYSWIBE-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699602 1263289680 /nfs/dbraw/zinc/28/96/80/1263289680.db2.gz JNQWEGZZNZYKJH-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545570 1263658391 /nfs/dbraw/zinc/65/83/91/1263658391.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545570 1263658403 /nfs/dbraw/zinc/65/84/03/1263658403.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545570 1263658413 /nfs/dbraw/zinc/65/84/13/1263658413.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356642 1263853663 /nfs/dbraw/zinc/85/36/63/1263853663.db2.gz SRIDSFGDSXLRGJ-KZNAEPCWSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356642 1263853680 /nfs/dbraw/zinc/85/36/80/1263853680.db2.gz SRIDSFGDSXLRGJ-KZNAEPCWSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084600866 1264065566 /nfs/dbraw/zinc/06/55/66/1264065566.db2.gz IATXMYKFWXUEFH-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084600866 1264065573 /nfs/dbraw/zinc/06/55/73/1264065573.db2.gz IATXMYKFWXUEFH-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084600866 1264065579 /nfs/dbraw/zinc/06/55/79/1264065579.db2.gz IATXMYKFWXUEFH-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003011178 1264455019 /nfs/dbraw/zinc/45/50/19/1264455019.db2.gz MZTMJKHUDYDOCG-QGZVFWFLSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001003011178 1264455025 /nfs/dbraw/zinc/45/50/25/1264455025.db2.gz MZTMJKHUDYDOCG-QGZVFWFLSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003011178 1264455027 /nfs/dbraw/zinc/45/50/27/1264455027.db2.gz MZTMJKHUDYDOCG-QGZVFWFLSA-N 2 1 339.911 2.727 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001003056195 1264535236 /nfs/dbraw/zinc/53/52/36/1264535236.db2.gz MVXQQZTUQULNCR-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001003056195 1264535245 /nfs/dbraw/zinc/53/52/45/1264535245.db2.gz MVXQQZTUQULNCR-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001003056792 1264535906 /nfs/dbraw/zinc/53/59/06/1264535906.db2.gz TUFNEEAXKUYZBW-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001003056792 1264535910 /nfs/dbraw/zinc/53/59/10/1264535910.db2.gz TUFNEEAXKUYZBW-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944946 1264715592 /nfs/dbraw/zinc/71/55/92/1264715592.db2.gz YJTVTTDDMVZKJW-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944946 1264715598 /nfs/dbraw/zinc/71/55/98/1264715598.db2.gz YJTVTTDDMVZKJW-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944946 1264715607 /nfs/dbraw/zinc/71/56/07/1264715607.db2.gz YJTVTTDDMVZKJW-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072643 1265075999 /nfs/dbraw/zinc/07/59/99/1265075999.db2.gz MFIZCMFQKHHSRM-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072643 1265076009 /nfs/dbraw/zinc/07/60/09/1265076009.db2.gz MFIZCMFQKHHSRM-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072643 1265076018 /nfs/dbraw/zinc/07/60/18/1265076018.db2.gz MFIZCMFQKHHSRM-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101535 1265145562 /nfs/dbraw/zinc/14/55/62/1265145562.db2.gz PCYHKXUFQYAKDV-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101535 1265145571 /nfs/dbraw/zinc/14/55/71/1265145571.db2.gz PCYHKXUFQYAKDV-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101706 1265146374 /nfs/dbraw/zinc/14/63/74/1265146374.db2.gz ZYAXIOGTHMSBMX-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101705 1265146764 /nfs/dbraw/zinc/14/67/64/1265146764.db2.gz ZYAXIOGTHMSBMX-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003799516 1265189400 /nfs/dbraw/zinc/18/94/00/1265189400.db2.gz JEZAPFORDFRPJR-UHFFFAOYSA-N 2 1 335.879 2.695 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004377032 1266823354 /nfs/dbraw/zinc/82/33/54/1266823354.db2.gz XTOXGOSLLGVJTL-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004377032 1266823373 /nfs/dbraw/zinc/82/33/73/1266823373.db2.gz XTOXGOSLLGVJTL-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085229993 1266889361 /nfs/dbraw/zinc/88/93/61/1266889361.db2.gz VIFJZUINVBWXOL-AQNXPRMDSA-N 2 1 343.515 2.601 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085229993 1266889379 /nfs/dbraw/zinc/88/93/79/1266889379.db2.gz VIFJZUINVBWXOL-AQNXPRMDSA-N 2 1 343.515 2.601 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085254204 1266943537 /nfs/dbraw/zinc/94/35/37/1266943537.db2.gz VPLUONNUAGHFMN-BRWVUGGUSA-N 2 1 341.927 2.876 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437021 1266980474 /nfs/dbraw/zinc/98/04/74/1266980474.db2.gz IPJYZZTWPLWNGS-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004431417 1266992204 /nfs/dbraw/zinc/99/22/04/1266992204.db2.gz XLWSASOHSOANFS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431417 1266992210 /nfs/dbraw/zinc/99/22/10/1266992210.db2.gz XLWSASOHSOANFS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431417 1266992215 /nfs/dbraw/zinc/99/22/15/1266992215.db2.gz XLWSASOHSOANFS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437075 1266993407 /nfs/dbraw/zinc/99/34/07/1266993407.db2.gz JCLGANLONUCIRC-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004438983 1267000422 /nfs/dbraw/zinc/00/04/22/1267000422.db2.gz XTWGSJQBVQHFNC-RTBURBONSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438983 1267000429 /nfs/dbraw/zinc/00/04/29/1267000429.db2.gz XTWGSJQBVQHFNC-RTBURBONSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438983 1267000435 /nfs/dbraw/zinc/00/04/35/1267000435.db2.gz XTWGSJQBVQHFNC-RTBURBONSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004446159 1267021307 /nfs/dbraw/zinc/02/13/07/1267021307.db2.gz CUSPMZNPIHVAIN-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004446159 1267021320 /nfs/dbraw/zinc/02/13/20/1267021320.db2.gz CUSPMZNPIHVAIN-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004446159 1267021328 /nfs/dbraw/zinc/02/13/28/1267021328.db2.gz CUSPMZNPIHVAIN-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004447498 1267028272 /nfs/dbraw/zinc/02/82/72/1267028272.db2.gz SPQMHLBBFJTERW-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004447498 1267028280 /nfs/dbraw/zinc/02/82/80/1267028280.db2.gz SPQMHLBBFJTERW-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004447498 1267028293 /nfs/dbraw/zinc/02/82/93/1267028293.db2.gz SPQMHLBBFJTERW-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085306974 1267106172 /nfs/dbraw/zinc/10/61/72/1267106172.db2.gz ZKWUHBYRHBVELH-BRWVUGGUSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946615751 1267125130 /nfs/dbraw/zinc/12/51/30/1267125130.db2.gz QUDNAFGQHNAJOJ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615751 1267125132 /nfs/dbraw/zinc/12/51/32/1267125132.db2.gz QUDNAFGQHNAJOJ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615751 1267125135 /nfs/dbraw/zinc/12/51/35/1267125135.db2.gz QUDNAFGQHNAJOJ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004505581 1267176504 /nfs/dbraw/zinc/17/65/04/1267176504.db2.gz HMKXTEQTPGCHQA-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501178 1267186448 /nfs/dbraw/zinc/18/64/48/1267186448.db2.gz YIDFKTGPVXVARL-PMACEKPBSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004518996 1267208609 /nfs/dbraw/zinc/20/86/09/1267208609.db2.gz BJUCPXHXUAXMOG-YTQUADARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004518996 1267208621 /nfs/dbraw/zinc/20/86/21/1267208621.db2.gz BJUCPXHXUAXMOG-YTQUADARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004518996 1267208634 /nfs/dbraw/zinc/20/86/34/1267208634.db2.gz BJUCPXHXUAXMOG-YTQUADARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623697 1267218144 /nfs/dbraw/zinc/21/81/44/1267218144.db2.gz NHQUNLJPSUGROD-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623697 1267218148 /nfs/dbraw/zinc/21/81/48/1267218148.db2.gz NHQUNLJPSUGROD-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270382 /nfs/dbraw/zinc/27/03/82/1267270382.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270393 /nfs/dbraw/zinc/27/03/93/1267270393.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270403 /nfs/dbraw/zinc/27/04/03/1267270403.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004540093 1267283266 /nfs/dbraw/zinc/28/32/66/1267283266.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004540093 1267283274 /nfs/dbraw/zinc/28/32/74/1267283274.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004540093 1267283286 /nfs/dbraw/zinc/28/32/86/1267283286.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595429 1267360992 /nfs/dbraw/zinc/36/09/92/1267360992.db2.gz HCROAUGUCKDRQK-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595429 1267361002 /nfs/dbraw/zinc/36/10/02/1267361002.db2.gz HCROAUGUCKDRQK-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595429 1267361015 /nfs/dbraw/zinc/36/10/15/1267361015.db2.gz HCROAUGUCKDRQK-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595160 1267361164 /nfs/dbraw/zinc/36/11/64/1267361164.db2.gz FWLPBFSWDODZIN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595160 1267361174 /nfs/dbraw/zinc/36/11/74/1267361174.db2.gz FWLPBFSWDODZIN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595160 1267361182 /nfs/dbraw/zinc/36/11/82/1267361182.db2.gz FWLPBFSWDODZIN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004618528 1267412770 /nfs/dbraw/zinc/41/27/70/1267412770.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004618528 1267412776 /nfs/dbraw/zinc/41/27/76/1267412776.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004618528 1267412779 /nfs/dbraw/zinc/41/27/79/1267412779.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638539 1267431983 /nfs/dbraw/zinc/43/19/83/1267431983.db2.gz PVXGRZKDFUYAAZ-KDURUIRLSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642966 1267450230 /nfs/dbraw/zinc/45/02/30/1267450230.db2.gz XOPFVGLNYUEVSC-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642966 1267450235 /nfs/dbraw/zinc/45/02/35/1267450235.db2.gz XOPFVGLNYUEVSC-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642966 1267450238 /nfs/dbraw/zinc/45/02/38/1267450238.db2.gz XOPFVGLNYUEVSC-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085432779 1267459010 /nfs/dbraw/zinc/45/90/10/1267459010.db2.gz PLRPJUSIXTYXGT-OAGGEKHMSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662701 1267626101 /nfs/dbraw/zinc/62/61/01/1267626101.db2.gz JOSABYNGTDWMAD-HDICACEKSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946663043 1267626542 /nfs/dbraw/zinc/62/65/42/1267626542.db2.gz YJCRFABKSFGXRD-KDURUIRLSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1 ZINC001168746243 1267842846 /nfs/dbraw/zinc/84/28/46/1267842846.db2.gz GGXNGGGZTQVKQU-SFHVURJKSA-N 2 1 327.476 2.604 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001273127157 1268653149 /nfs/dbraw/zinc/65/31/49/1268653149.db2.gz XNZORQUUZDOOIM-TZIWHRDSSA-N 2 1 345.531 2.918 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297588 1268687921 /nfs/dbraw/zinc/68/79/21/1268687921.db2.gz PKTIHLFUQCZSCX-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268775001 /nfs/dbraw/zinc/77/50/01/1268775001.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268775011 /nfs/dbraw/zinc/77/50/11/1268775011.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268775019 /nfs/dbraw/zinc/77/50/19/1268775019.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808667 1268776969 /nfs/dbraw/zinc/77/69/69/1268776969.db2.gz QYTHJZGCYSQPRS-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792324 /nfs/dbraw/zinc/79/23/24/1268792324.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792331 /nfs/dbraw/zinc/79/23/31/1268792331.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792338 /nfs/dbraw/zinc/79/23/38/1268792338.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366403 1268947788 /nfs/dbraw/zinc/94/77/88/1268947788.db2.gz WZCUKLNCWLXDFY-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001171075287 1278459271 /nfs/dbraw/zinc/45/92/71/1278459271.db2.gz UDWOVXDFYVOMFJ-HNNXBMFYSA-N 2 1 335.448 2.898 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994063 1269447352 /nfs/dbraw/zinc/44/73/52/1269447352.db2.gz AUZOWGASAGFBIW-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994063 1269447361 /nfs/dbraw/zinc/44/73/61/1269447361.db2.gz AUZOWGASAGFBIW-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033697310 1269834029 /nfs/dbraw/zinc/83/40/29/1269834029.db2.gz CAJBZGHSLYLPCZ-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832406 1270294571 /nfs/dbraw/zinc/29/45/71/1270294571.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832406 1270294576 /nfs/dbraw/zinc/29/45/76/1270294576.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832406 1270294584 /nfs/dbraw/zinc/29/45/84/1270294584.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835647 1270307167 /nfs/dbraw/zinc/30/71/67/1270307167.db2.gz KHIQXSKNCRGTSY-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835647 1270307173 /nfs/dbraw/zinc/30/71/73/1270307173.db2.gz KHIQXSKNCRGTSY-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835647 1270307183 /nfs/dbraw/zinc/30/71/83/1270307183.db2.gz KHIQXSKNCRGTSY-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250854 1270681201 /nfs/dbraw/zinc/68/12/01/1270681201.db2.gz POCLEROIXJGBQB-BBWFWOEESA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955285 1270688012 /nfs/dbraw/zinc/68/80/12/1270688012.db2.gz XVYXWXAMGBJZEG-FQEVSTJZSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005497110 1270852510 /nfs/dbraw/zinc/85/25/10/1270852510.db2.gz LDCGWWGYGYPRCH-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005497110 1270852520 /nfs/dbraw/zinc/85/25/20/1270852520.db2.gz LDCGWWGYGYPRCH-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503021 1271033646 /nfs/dbraw/zinc/03/36/46/1271033646.db2.gz HJDZRXQODRJYMI-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503021 1271033649 /nfs/dbraw/zinc/03/36/49/1271033649.db2.gz HJDZRXQODRJYMI-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387468 1271245795 /nfs/dbraw/zinc/24/57/95/1271245795.db2.gz GAZFDHMUWWDXRM-ZOBUZTSGSA-N 2 1 339.911 2.630 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210747 1271364489 /nfs/dbraw/zinc/36/44/89/1271364489.db2.gz JIYSHOITGAKHQO-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210747 1271364495 /nfs/dbraw/zinc/36/44/95/1271364495.db2.gz JIYSHOITGAKHQO-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210747 1271364507 /nfs/dbraw/zinc/36/45/07/1271364507.db2.gz JIYSHOITGAKHQO-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250521 1271425467 /nfs/dbraw/zinc/42/54/67/1271425467.db2.gz RIUXNSPWFMXQLR-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250521 1271425476 /nfs/dbraw/zinc/42/54/76/1271425476.db2.gz RIUXNSPWFMXQLR-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034237665 1271434859 /nfs/dbraw/zinc/43/48/59/1271434859.db2.gz AOANGUBDAZSLTD-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237665 1271434864 /nfs/dbraw/zinc/43/48/64/1271434864.db2.gz AOANGUBDAZSLTD-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237665 1271434867 /nfs/dbraw/zinc/43/48/67/1271434867.db2.gz AOANGUBDAZSLTD-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034237666 1271435092 /nfs/dbraw/zinc/43/50/92/1271435092.db2.gz AOANGUBDAZSLTD-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237666 1271435098 /nfs/dbraw/zinc/43/50/98/1271435098.db2.gz AOANGUBDAZSLTD-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237666 1271435103 /nfs/dbraw/zinc/43/51/03/1271435103.db2.gz AOANGUBDAZSLTD-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285130 1271534481 /nfs/dbraw/zinc/53/44/81/1271534481.db2.gz PMBUZHBKWHHZGJ-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312321 1271636582 /nfs/dbraw/zinc/63/65/82/1271636582.db2.gz PQEPEGTZNMACPN-KRWDZBQOSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312321 1271636589 /nfs/dbraw/zinc/63/65/89/1271636589.db2.gz PQEPEGTZNMACPN-KRWDZBQOSA-N 2 1 344.503 2.699 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034330593 1271673054 /nfs/dbraw/zinc/67/30/54/1271673054.db2.gz OYSKCOCHJDHGIU-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034330594 1271673221 /nfs/dbraw/zinc/67/32/21/1271673221.db2.gz OYSKCOCHJDHGIU-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476127 1272066089 /nfs/dbraw/zinc/06/60/89/1272066089.db2.gz BIUAGFXRVMFGKL-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478889 1272077728 /nfs/dbraw/zinc/07/77/28/1272077728.db2.gz PRRZZFDDIXQQAG-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034479689 1272082173 /nfs/dbraw/zinc/08/21/73/1272082173.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034479689 1272082184 /nfs/dbraw/zinc/08/21/84/1272082184.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034479689 1272082194 /nfs/dbraw/zinc/08/21/94/1272082194.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480727 1272087461 /nfs/dbraw/zinc/08/74/61/1272087461.db2.gz NBSQIDIVVSPSJI-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480727 1272087468 /nfs/dbraw/zinc/08/74/68/1272087468.db2.gz NBSQIDIVVSPSJI-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480727 1272087479 /nfs/dbraw/zinc/08/74/79/1272087479.db2.gz NBSQIDIVVSPSJI-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169130388 1272688915 /nfs/dbraw/zinc/68/89/15/1272688915.db2.gz NKJFIFIOIMHERC-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130388 1272688918 /nfs/dbraw/zinc/68/89/18/1272688918.db2.gz NKJFIFIOIMHERC-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130388 1272688922 /nfs/dbraw/zinc/68/89/22/1272688922.db2.gz NKJFIFIOIMHERC-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034714519 1272694358 /nfs/dbraw/zinc/69/43/58/1272694358.db2.gz DCKFVESCPQPRTQ-LNLFQRSKSA-N 2 1 333.520 2.987 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133886 1272694928 /nfs/dbraw/zinc/69/49/28/1272694928.db2.gz MLYALJTXBLKTDA-MFKWGIFDSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133886 1272694940 /nfs/dbraw/zinc/69/49/40/1272694940.db2.gz MLYALJTXBLKTDA-MFKWGIFDSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133886 1272694955 /nfs/dbraw/zinc/69/49/55/1272694955.db2.gz MLYALJTXBLKTDA-MFKWGIFDSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169139421 1272700640 /nfs/dbraw/zinc/70/06/40/1272700640.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169139421 1272700649 /nfs/dbraw/zinc/70/06/49/1272700649.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139421 1272700655 /nfs/dbraw/zinc/70/06/55/1272700655.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139421 1272700661 /nfs/dbraw/zinc/70/06/61/1272700661.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770572 1273459895 /nfs/dbraw/zinc/45/98/95/1273459895.db2.gz SQTJJGJEDVVPSA-BZSNNMDCSA-N 2 1 344.503 2.942 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108777638 1273466969 /nfs/dbraw/zinc/46/69/69/1273466969.db2.gz CFQYIBLDYXYMGY-KSZLIROESA-N 2 1 330.476 2.517 20 30 EFEDMP C=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 ZINC001108764567 1273467590 /nfs/dbraw/zinc/46/75/90/1273467590.db2.gz PKVYZHZGFSXGBG-KSZLIROESA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196227 1273757099 /nfs/dbraw/zinc/75/70/99/1273757099.db2.gz YIZACJSCAWCQIC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196227 1273757104 /nfs/dbraw/zinc/75/71/04/1273757104.db2.gz YIZACJSCAWCQIC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196227 1273757114 /nfs/dbraw/zinc/75/71/14/1273757114.db2.gz YIZACJSCAWCQIC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197411 1273762280 /nfs/dbraw/zinc/76/22/80/1273762280.db2.gz MNMZYVAJDPSZIY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035197411 1273762287 /nfs/dbraw/zinc/76/22/87/1273762287.db2.gz MNMZYVAJDPSZIY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035197411 1273762298 /nfs/dbraw/zinc/76/22/98/1273762298.db2.gz MNMZYVAJDPSZIY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193432 1273812420 /nfs/dbraw/zinc/81/24/20/1273812420.db2.gz CGTIDAPHIFOGOW-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193704 1273816147 /nfs/dbraw/zinc/81/61/47/1273816147.db2.gz NGVUYWVWWFFQPD-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193704 1273816153 /nfs/dbraw/zinc/81/61/53/1273816153.db2.gz NGVUYWVWWFFQPD-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193704 1273816160 /nfs/dbraw/zinc/81/61/60/1273816160.db2.gz NGVUYWVWWFFQPD-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233696 1273883696 /nfs/dbraw/zinc/88/36/96/1273883696.db2.gz KFZOOEFYONBCJC-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233696 1273883705 /nfs/dbraw/zinc/88/37/05/1273883705.db2.gz KFZOOEFYONBCJC-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233696 1273883716 /nfs/dbraw/zinc/88/37/16/1273883716.db2.gz KFZOOEFYONBCJC-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236837 1273897797 /nfs/dbraw/zinc/89/77/97/1273897797.db2.gz DXTNZWPPDHEXPY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236837 1273897801 /nfs/dbraw/zinc/89/78/01/1273897801.db2.gz DXTNZWPPDHEXPY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236837 1273897811 /nfs/dbraw/zinc/89/78/11/1273897811.db2.gz DXTNZWPPDHEXPY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236771 1273899203 /nfs/dbraw/zinc/89/92/03/1273899203.db2.gz CUBAFOZWDDWPBI-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236771 1273899209 /nfs/dbraw/zinc/89/92/09/1273899209.db2.gz CUBAFOZWDDWPBI-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236771 1273899222 /nfs/dbraw/zinc/89/92/22/1273899222.db2.gz CUBAFOZWDDWPBI-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237016 1273899842 /nfs/dbraw/zinc/89/98/42/1273899842.db2.gz ICZBVXBCWMGFBO-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237016 1273899848 /nfs/dbraw/zinc/89/98/48/1273899848.db2.gz ICZBVXBCWMGFBO-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237016 1273899854 /nfs/dbraw/zinc/89/98/54/1273899854.db2.gz ICZBVXBCWMGFBO-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243585 1273912264 /nfs/dbraw/zinc/91/22/64/1273912264.db2.gz AKMCMYKLROEFSA-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991357 1274094469 /nfs/dbraw/zinc/09/44/69/1274094469.db2.gz NUWKAWJWZPOKNN-MSOLQXFVSA-N 2 1 341.540 2.552 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991357 1274094473 /nfs/dbraw/zinc/09/44/73/1274094473.db2.gz NUWKAWJWZPOKNN-MSOLQXFVSA-N 2 1 341.540 2.552 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399467 1274239922 /nfs/dbraw/zinc/23/99/22/1274239922.db2.gz LAGFDUQHUKJKKQ-RDGPPVDQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399467 1274239925 /nfs/dbraw/zinc/23/99/25/1274239925.db2.gz LAGFDUQHUKJKKQ-RDGPPVDQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399467 1274239927 /nfs/dbraw/zinc/23/99/27/1274239927.db2.gz LAGFDUQHUKJKKQ-RDGPPVDQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470946 1274321175 /nfs/dbraw/zinc/32/11/75/1274321175.db2.gz PRZSOLOZAHRVPE-QYZOEREBSA-N 2 1 342.487 2.596 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109472831 1274323791 /nfs/dbraw/zinc/32/37/91/1274323791.db2.gz IAEDLHDTKAUMPM-MNEFBYGVSA-N 2 1 338.455 2.944 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001035705331 1274383435 /nfs/dbraw/zinc/38/34/35/1274383435.db2.gz CZOAVFXTNOIMDZ-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710791 1274391548 /nfs/dbraw/zinc/39/15/48/1274391548.db2.gz SNLHIYJYOFBZEF-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717667 1274401629 /nfs/dbraw/zinc/40/16/29/1274401629.db2.gz QKPKQLAEQAJCEY-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717666 1274401674 /nfs/dbraw/zinc/40/16/74/1274401674.db2.gz QKPKQLAEQAJCEY-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736609 1274428541 /nfs/dbraw/zinc/42/85/41/1274428541.db2.gz HMDFEYXIGGHLMV-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565300 1274430597 /nfs/dbraw/zinc/43/05/97/1274430597.db2.gz JHADTGSMURICHI-SQNIBIBYSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035807621 1274535938 /nfs/dbraw/zinc/53/59/38/1274535938.db2.gz MRKLRNUFUKRLHN-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1C(C)C)C2 ZINC001109798959 1274645163 /nfs/dbraw/zinc/64/51/63/1274645163.db2.gz ATOXPESEOAJWQI-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109798959 1274645191 /nfs/dbraw/zinc/64/51/91/1274645191.db2.gz ATOXPESEOAJWQI-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798832 1274646026 /nfs/dbraw/zinc/64/60/26/1274646026.db2.gz UZDJDXUWZOTDEX-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798832 1274646033 /nfs/dbraw/zinc/64/60/33/1274646033.db2.gz UZDJDXUWZOTDEX-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798832 1274646043 /nfs/dbraw/zinc/64/60/43/1274646043.db2.gz UZDJDXUWZOTDEX-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547302 1275113348 /nfs/dbraw/zinc/11/33/48/1275113348.db2.gz HIIYOMFAUUWCDQ-FPOVZHCZSA-N 2 1 347.547 2.740 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578844 1275286559 /nfs/dbraw/zinc/28/65/59/1275286559.db2.gz JLBYDLWFZNOSCL-KPFFTGBYSA-N 2 1 344.503 2.765 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112585660 1275309877 /nfs/dbraw/zinc/30/98/77/1275309877.db2.gz KSSPYQBZFOCEFX-BJLQDIEVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586432 1275312018 /nfs/dbraw/zinc/31/20/18/1275312018.db2.gz YUMHJRGHEBBAEW-BJLQDIEVSA-N 2 1 335.536 2.900 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855125 1276110769 /nfs/dbraw/zinc/11/07/69/1276110769.db2.gz LJMIREVJXATSBT-MOPGFXCFSA-N 2 1 335.536 2.975 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991774 1276281587 /nfs/dbraw/zinc/28/15/87/1276281587.db2.gz JNROAYXBMHUTRW-RBUKOAKNSA-N 2 1 343.515 2.643 20 30 EFEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273145750 1276311154 /nfs/dbraw/zinc/31/11/54/1276311154.db2.gz YDIPSFLZILJVBQ-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878316 1276331615 /nfs/dbraw/zinc/33/16/15/1276331615.db2.gz NHVPWSZIOSTTDX-SJORKVTESA-N 2 1 332.492 2.685 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881174 1287233753 /nfs/dbraw/zinc/23/37/53/1287233753.db2.gz ISWVEFUYXBVRLE-IEBWSBKVSA-N 2 1 333.520 2.681 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881177 1287234283 /nfs/dbraw/zinc/23/42/83/1287234283.db2.gz ISWVEFUYXBVRLE-PKOBYXMFSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929141 1287234823 /nfs/dbraw/zinc/23/48/23/1287234823.db2.gz ODNQFJOTRKDURM-DOTOQJQBSA-N 2 1 332.492 2.595 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927396 1287251710 /nfs/dbraw/zinc/25/17/10/1287251710.db2.gz DURLYLKTEOZBSI-SJLPKXTDSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006002525 1277395082 /nfs/dbraw/zinc/39/50/82/1277395082.db2.gz YJRWBTVCHNLEBQ-KRWDZBQOSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252315 1277405250 /nfs/dbraw/zinc/40/52/50/1277405250.db2.gz INIPPCAJRZVAGT-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367104 1279041700 /nfs/dbraw/zinc/04/17/00/1279041700.db2.gz FQTYQURAYJSOJC-UHFFFAOYSA-N 3 1 342.531 2.993 20 30 EFEDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367104 1279041710 /nfs/dbraw/zinc/04/17/10/1279041710.db2.gz FQTYQURAYJSOJC-UHFFFAOYSA-N 3 1 342.531 2.993 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355723 1277643705 /nfs/dbraw/zinc/64/37/05/1277643705.db2.gz KPSBTAGVMWWUGI-IBGZPJMESA-N 2 1 343.515 2.660 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001113355723 1277643713 /nfs/dbraw/zinc/64/37/13/1277643713.db2.gz KPSBTAGVMWWUGI-IBGZPJMESA-N 2 1 343.515 2.660 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113418912 1277788561 /nfs/dbraw/zinc/78/85/61/1277788561.db2.gz IVGJQDAQAXAKMQ-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113418912 1277788565 /nfs/dbraw/zinc/78/85/65/1277788565.db2.gz IVGJQDAQAXAKMQ-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086591459 1277825000 /nfs/dbraw/zinc/82/50/00/1277825000.db2.gz MRJALYQDJKTIHW-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001086591459 1277825011 /nfs/dbraw/zinc/82/50/11/1277825011.db2.gz MRJALYQDJKTIHW-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001086591459 1277825018 /nfs/dbraw/zinc/82/50/18/1277825018.db2.gz MRJALYQDJKTIHW-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068228 1279506212 /nfs/dbraw/zinc/50/62/12/1279506212.db2.gz GAZFDHMUWWDXRM-DQPZFDDXSA-N 2 1 339.911 2.630 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273741 1287369878 /nfs/dbraw/zinc/36/98/78/1287369878.db2.gz VLKFHMACOURACB-WMZOPIPTSA-N 2 1 346.519 2.985 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001171194203 1279740430 /nfs/dbraw/zinc/74/04/30/1279740430.db2.gz HMWNCZRWCJKWKQ-OXJNMPFZSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001171194203 1279740442 /nfs/dbraw/zinc/74/04/42/1279740442.db2.gz HMWNCZRWCJKWKQ-OXJNMPFZSA-N 2 1 327.472 2.580 20 30 EFEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262669 1287384038 /nfs/dbraw/zinc/38/40/38/1287384038.db2.gz JMWAUZLXGFWQCF-QAPCUYQASA-N 2 1 327.488 2.650 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175272701 1287387145 /nfs/dbraw/zinc/38/71/45/1287387145.db2.gz LNNICRJPWSCGFU-OAHLLOKOSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272212 1287387457 /nfs/dbraw/zinc/38/74/57/1287387457.db2.gz IGDQHSZYSNXCAO-WBVHZDCISA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272203 1287387742 /nfs/dbraw/zinc/38/77/42/1287387742.db2.gz IGDQHSZYSNXCAO-DOTOQJQBSA-N 2 1 332.492 2.595 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001129770462 1280342403 /nfs/dbraw/zinc/34/24/03/1280342403.db2.gz GLKATWUKJLKROB-ACBHZAAOSA-N 2 1 347.547 2.642 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001129770462 1280342415 /nfs/dbraw/zinc/34/24/15/1280342415.db2.gz GLKATWUKJLKROB-ACBHZAAOSA-N 2 1 347.547 2.642 20 30 EFEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175389826 1287416591 /nfs/dbraw/zinc/41/65/91/1287416591.db2.gz VLQCKFVABGRYFH-RLLQIKCJSA-N 2 1 343.515 2.782 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171246863 1280431565 /nfs/dbraw/zinc/43/15/65/1280431565.db2.gz HDBJITVHTHOIMU-IRXDYDNUSA-N 2 1 332.492 2.991 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248274 1280439766 /nfs/dbraw/zinc/43/97/66/1280439766.db2.gz RJXCQGKYFGTSLT-SJORKVTESA-N 2 1 332.492 2.991 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707347 1281003818 /nfs/dbraw/zinc/00/38/18/1281003818.db2.gz RGRRMCIEMCOGRA-ROUUACIJSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707347 1281003825 /nfs/dbraw/zinc/00/38/25/1281003825.db2.gz RGRRMCIEMCOGRA-ROUUACIJSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707640 1281005942 /nfs/dbraw/zinc/00/59/42/1281005942.db2.gz VRCXPAOGRZORHK-HZPDHXFCSA-N 2 1 337.895 2.744 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707640 1281005952 /nfs/dbraw/zinc/00/59/52/1281005952.db2.gz VRCXPAOGRZORHK-HZPDHXFCSA-N 2 1 337.895 2.744 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC ZINC001171308106 1281192617 /nfs/dbraw/zinc/19/26/17/1281192617.db2.gz OYFPDCSQQZBUCT-HKUYNNGSSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC ZINC001171308106 1281192621 /nfs/dbraw/zinc/19/26/21/1281192621.db2.gz OYFPDCSQQZBUCT-HKUYNNGSSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308521 1281193040 /nfs/dbraw/zinc/19/30/40/1281193040.db2.gz TYQYFZUMKISFRT-MOPGFXCFSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308521 1281193043 /nfs/dbraw/zinc/19/30/43/1281193043.db2.gz TYQYFZUMKISFRT-MOPGFXCFSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308309 1281193219 /nfs/dbraw/zinc/19/32/19/1281193219.db2.gz QNMBJUNBWDZBAS-RJCMGOLDSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308309 1281193225 /nfs/dbraw/zinc/19/32/25/1281193225.db2.gz QNMBJUNBWDZBAS-RJCMGOLDSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171308791 1281194369 /nfs/dbraw/zinc/19/43/69/1281194369.db2.gz WJLJZWCYAHYVQA-ICSRJNTNSA-N 2 1 345.531 2.849 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171308791 1281194375 /nfs/dbraw/zinc/19/43/75/1281194375.db2.gz WJLJZWCYAHYVQA-ICSRJNTNSA-N 2 1 345.531 2.849 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674088 1281418983 /nfs/dbraw/zinc/41/89/83/1281418983.db2.gz NADGNDDJOVULEX-OPYAIIAOSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674088 1281418985 /nfs/dbraw/zinc/41/89/85/1281418985.db2.gz NADGNDDJOVULEX-OPYAIIAOSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674088 1281418989 /nfs/dbraw/zinc/41/89/89/1281418989.db2.gz NADGNDDJOVULEX-OPYAIIAOSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161243 1281438549 /nfs/dbraw/zinc/43/85/49/1281438549.db2.gz QVWPWGUJZAUGPF-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684330 1281441958 /nfs/dbraw/zinc/44/19/58/1281441958.db2.gz BTSCQVGPGMUTCB-HLIPFELVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684330 1281441961 /nfs/dbraw/zinc/44/19/61/1281441961.db2.gz BTSCQVGPGMUTCB-HLIPFELVSA-N 2 1 344.503 2.753 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494365 /nfs/dbraw/zinc/49/43/65/1281494365.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 2 1 335.536 2.975 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494366 /nfs/dbraw/zinc/49/43/66/1281494366.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 2 1 335.536 2.975 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494371 /nfs/dbraw/zinc/49/43/71/1281494371.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 2 1 335.536 2.975 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292508 1281497463 /nfs/dbraw/zinc/49/74/63/1281497463.db2.gz ITPCFUSVQJWRBT-QZTJIDSGSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292508 1281497468 /nfs/dbraw/zinc/49/74/68/1281497468.db2.gz ITPCFUSVQJWRBT-QZTJIDSGSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292508 1281497475 /nfs/dbraw/zinc/49/74/75/1281497475.db2.gz ITPCFUSVQJWRBT-QZTJIDSGSA-N 2 1 335.536 2.689 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713482 1281514320 /nfs/dbraw/zinc/51/43/20/1281514320.db2.gz ZRRIXGUDLINEIT-APWZRJJASA-N 2 1 347.528 2.780 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363906 1281531874 /nfs/dbraw/zinc/53/18/74/1281531874.db2.gz QCDUBLOUASUCDN-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363906 1281531884 /nfs/dbraw/zinc/53/18/84/1281531884.db2.gz QCDUBLOUASUCDN-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418188 1281552650 /nfs/dbraw/zinc/55/26/50/1281552650.db2.gz DFJDOULXYQCZHY-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001148418188 1281552657 /nfs/dbraw/zinc/55/26/57/1281552657.db2.gz DFJDOULXYQCZHY-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001148418188 1281552663 /nfs/dbraw/zinc/55/26/63/1281552663.db2.gz DFJDOULXYQCZHY-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476945 1281568951 /nfs/dbraw/zinc/56/89/51/1281568951.db2.gz BOOUXLJKMXYCMK-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737936 1281686431 /nfs/dbraw/zinc/68/64/31/1281686431.db2.gz SCEIOHMJPTUXKE-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737936 1281686440 /nfs/dbraw/zinc/68/64/40/1281686440.db2.gz SCEIOHMJPTUXKE-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737936 1281686446 /nfs/dbraw/zinc/68/64/46/1281686446.db2.gz SCEIOHMJPTUXKE-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148834049 1281759294 /nfs/dbraw/zinc/75/92/94/1281759294.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834049 1281759304 /nfs/dbraw/zinc/75/93/04/1281759304.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834049 1281759313 /nfs/dbraw/zinc/75/93/13/1281759313.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148834050 1281760596 /nfs/dbraw/zinc/76/05/96/1281760596.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834050 1281760599 /nfs/dbraw/zinc/76/05/99/1281760599.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834050 1281760602 /nfs/dbraw/zinc/76/06/02/1281760602.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833651 1281760658 /nfs/dbraw/zinc/76/06/58/1281760658.db2.gz IGOAOBCVVJQLNE-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754228 1281798052 /nfs/dbraw/zinc/79/80/52/1281798052.db2.gz KCRZEIDYJVFSTQ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754228 1281798064 /nfs/dbraw/zinc/79/80/64/1281798064.db2.gz KCRZEIDYJVFSTQ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754228 1281798069 /nfs/dbraw/zinc/79/80/69/1281798069.db2.gz KCRZEIDYJVFSTQ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910326 1281913123 /nfs/dbraw/zinc/91/31/23/1281913123.db2.gz QXRIOVBSWHWSSO-JKSUJKDBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910359 1281913183 /nfs/dbraw/zinc/91/31/83/1281913183.db2.gz RQJLFXRMVIIYMF-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926231 1281945885 /nfs/dbraw/zinc/94/58/85/1281945885.db2.gz SJFDZDPOWIPIFQ-OALUTQOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926929 1281948701 /nfs/dbraw/zinc/94/87/01/1281948701.db2.gz NUKKKJULCCMMRC-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942393 1281972698 /nfs/dbraw/zinc/97/26/98/1281972698.db2.gz PQUBENDNOBEBQI-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932348 1282002800 /nfs/dbraw/zinc/00/28/00/1282002800.db2.gz IEQYWWPMEPFDMP-KRWDZBQOSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943734 1282271180 /nfs/dbraw/zinc/27/11/80/1282271180.db2.gz FARHZLQMLLYLDG-SBHAEUEKSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943734 1282271190 /nfs/dbraw/zinc/27/11/90/1282271190.db2.gz FARHZLQMLLYLDG-SBHAEUEKSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943734 1282271195 /nfs/dbraw/zinc/27/11/95/1282271195.db2.gz FARHZLQMLLYLDG-SBHAEUEKSA-N 2 1 347.547 2.855 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000809558369 1282306510 /nfs/dbraw/zinc/30/65/10/1282306510.db2.gz NJXKUMCDWPCMRC-OALUTQOASA-N 2 1 325.500 2.658 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092299859 1282547339 /nfs/dbraw/zinc/54/73/39/1282547339.db2.gz KDZDIFZQCLCZPA-NQIIRXRSSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677051 1282942013 /nfs/dbraw/zinc/94/20/13/1282942013.db2.gz VHHTZZFGKMZIOB-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677051 1282942020 /nfs/dbraw/zinc/94/20/20/1282942020.db2.gz VHHTZZFGKMZIOB-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677051 1282942030 /nfs/dbraw/zinc/94/20/30/1282942030.db2.gz VHHTZZFGKMZIOB-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132156736 1283060384 /nfs/dbraw/zinc/06/03/84/1283060384.db2.gz IILUEBQAAGBGGA-NVXWUHKLSA-N 2 1 326.444 2.883 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132173651 1283086151 /nfs/dbraw/zinc/08/61/51/1283086151.db2.gz PJAZMWXNFKMSCP-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132173651 1283086160 /nfs/dbraw/zinc/08/61/60/1283086160.db2.gz PJAZMWXNFKMSCP-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183307 1283120702 /nfs/dbraw/zinc/12/07/02/1283120702.db2.gz MSNZPLUDTIXWNM-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183307 1283120705 /nfs/dbraw/zinc/12/07/05/1283120705.db2.gz MSNZPLUDTIXWNM-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968710 1283142437 /nfs/dbraw/zinc/14/24/37/1283142437.db2.gz YHGWDXNVEATIIP-YLJYHZDGSA-N 2 1 343.515 2.665 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717702 1283223872 /nfs/dbraw/zinc/22/38/72/1283223872.db2.gz ZUOWSADULDYTPZ-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717699 1283224312 /nfs/dbraw/zinc/22/43/12/1283224312.db2.gz ZUOWSADULDYTPZ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120800 1283263257 /nfs/dbraw/zinc/26/32/57/1283263257.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120800 1283263265 /nfs/dbraw/zinc/26/32/65/1283263265.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120800 1283263276 /nfs/dbraw/zinc/26/32/76/1283263276.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731404 1283293289 /nfs/dbraw/zinc/29/32/89/1283293289.db2.gz SSBZVZZFRYISHU-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731599 1283293806 /nfs/dbraw/zinc/29/38/06/1283293806.db2.gz WNQABHBDEWRPIW-GDBMZVCRSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310429 1283305431 /nfs/dbraw/zinc/30/54/31/1283305431.db2.gz KSNRLYGGIVVSMM-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310429 1283305441 /nfs/dbraw/zinc/30/54/41/1283305441.db2.gz KSNRLYGGIVVSMM-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310429 1283305449 /nfs/dbraw/zinc/30/54/49/1283305449.db2.gz KSNRLYGGIVVSMM-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310429 1283305461 /nfs/dbraw/zinc/30/54/61/1283305461.db2.gz KSNRLYGGIVVSMM-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748414 1283394229 /nfs/dbraw/zinc/39/42/29/1283394229.db2.gz DLUYIHFACIPCDH-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754257 1283418899 /nfs/dbraw/zinc/41/88/99/1283418899.db2.gz CQSNRDFCBXTPNA-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754257 1283418909 /nfs/dbraw/zinc/41/89/09/1283418909.db2.gz CQSNRDFCBXTPNA-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754257 1283418914 /nfs/dbraw/zinc/41/89/14/1283418914.db2.gz CQSNRDFCBXTPNA-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755579 1283427633 /nfs/dbraw/zinc/42/76/33/1283427633.db2.gz ZFIXLOZTEQGNNJ-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755579 1283427639 /nfs/dbraw/zinc/42/76/39/1283427639.db2.gz ZFIXLOZTEQGNNJ-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755579 1283427652 /nfs/dbraw/zinc/42/76/52/1283427652.db2.gz ZFIXLOZTEQGNNJ-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755581 1283428595 /nfs/dbraw/zinc/42/85/95/1283428595.db2.gz ZFIXLOZTEQGNNJ-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755581 1283428606 /nfs/dbraw/zinc/42/86/06/1283428606.db2.gz ZFIXLOZTEQGNNJ-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755581 1283428610 /nfs/dbraw/zinc/42/86/10/1283428610.db2.gz ZFIXLOZTEQGNNJ-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426214 1283552200 /nfs/dbraw/zinc/55/22/00/1283552200.db2.gz UCMYZEWWHBITEM-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519518 1283782525 /nfs/dbraw/zinc/78/25/25/1283782525.db2.gz ZYRIGRWNDJBUKQ-QUCCMNQESA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093361540 1283783230 /nfs/dbraw/zinc/78/32/30/1283783230.db2.gz LPWXWOZHGXZKQG-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001093373920 1283817181 /nfs/dbraw/zinc/81/71/81/1283817181.db2.gz UZVRRUORKWJNBN-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093373920 1283817195 /nfs/dbraw/zinc/81/71/95/1283817195.db2.gz UZVRRUORKWJNBN-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093373920 1283817200 /nfs/dbraw/zinc/81/72/00/1283817200.db2.gz UZVRRUORKWJNBN-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093381754 1283847864 /nfs/dbraw/zinc/84/78/64/1283847864.db2.gz UCNOAQISMRPVDD-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381754 1283847874 /nfs/dbraw/zinc/84/78/74/1283847874.db2.gz UCNOAQISMRPVDD-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381754 1283847883 /nfs/dbraw/zinc/84/78/83/1283847883.db2.gz UCNOAQISMRPVDD-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381757 1283848352 /nfs/dbraw/zinc/84/83/52/1283848352.db2.gz UCNOAQISMRPVDD-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381757 1283848356 /nfs/dbraw/zinc/84/83/56/1283848356.db2.gz UCNOAQISMRPVDD-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381757 1283848364 /nfs/dbraw/zinc/84/83/64/1283848364.db2.gz UCNOAQISMRPVDD-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093384019 1283859550 /nfs/dbraw/zinc/85/95/50/1283859550.db2.gz SOTJZGYQLBAIEJ-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093384019 1283859563 /nfs/dbraw/zinc/85/95/63/1283859563.db2.gz SOTJZGYQLBAIEJ-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093384019 1283859574 /nfs/dbraw/zinc/85/95/74/1283859574.db2.gz SOTJZGYQLBAIEJ-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C[C@H](C#N)OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062589 1284012170 /nfs/dbraw/zinc/01/21/70/1284012170.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062589 1284012185 /nfs/dbraw/zinc/01/21/85/1284012185.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062589 1284012192 /nfs/dbraw/zinc/01/21/92/1284012192.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062589 1284012200 /nfs/dbraw/zinc/01/22/00/1284012200.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062589 1284012209 /nfs/dbraw/zinc/01/22/09/1284012209.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 1 327.472 2.902 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@H]21 ZINC001036821334 1284062695 /nfs/dbraw/zinc/06/26/95/1284062695.db2.gz YIEFNQXLFZJQQD-WOJBJXKFSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834388 1284145359 /nfs/dbraw/zinc/14/53/59/1284145359.db2.gz JJZDSJJQMRKCCH-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834388 1284145370 /nfs/dbraw/zinc/14/53/70/1284145370.db2.gz JJZDSJJQMRKCCH-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835064 1284148394 /nfs/dbraw/zinc/14/83/94/1284148394.db2.gz UDFMGQZUJYFGGP-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835064 1284148398 /nfs/dbraw/zinc/14/83/98/1284148398.db2.gz UDFMGQZUJYFGGP-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835064 1284148405 /nfs/dbraw/zinc/14/84/05/1284148405.db2.gz UDFMGQZUJYFGGP-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854183 1284330532 /nfs/dbraw/zinc/33/05/32/1284330532.db2.gz HNQUTXORERSIAI-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941007 1284497916 /nfs/dbraw/zinc/49/79/16/1284497916.db2.gz DJDBFTLZJUQLBD-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185464 1284950184 /nfs/dbraw/zinc/95/01/84/1284950184.db2.gz DJOBOHXDTRFQAQ-OALUTQOASA-N 2 1 335.536 2.596 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037379 /nfs/dbraw/zinc/03/73/79/1285037379.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037393 /nfs/dbraw/zinc/03/73/93/1285037393.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037398 /nfs/dbraw/zinc/03/73/98/1285037398.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433890 1285079851 /nfs/dbraw/zinc/07/98/51/1285079851.db2.gz HYIBCHSLZKUFHF-SQGPQFPESA-N 2 1 342.487 2.697 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433890 1285079857 /nfs/dbraw/zinc/07/98/57/1285079857.db2.gz HYIBCHSLZKUFHF-SQGPQFPESA-N 2 1 342.487 2.697 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461204 1285136331 /nfs/dbraw/zinc/13/63/31/1285136331.db2.gz NNQMROQJTKBJOP-UYAOXDASSA-N 2 1 338.455 2.885 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470575 1285171990 /nfs/dbraw/zinc/17/19/90/1285171990.db2.gz KXOPGFNVSMMBNZ-UYAOXDASSA-N 2 1 338.455 2.885 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361063 1285260148 /nfs/dbraw/zinc/26/01/48/1285260148.db2.gz SAFJLUXJSSSEPA-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361063 1285260158 /nfs/dbraw/zinc/26/01/58/1285260158.db2.gz SAFJLUXJSSSEPA-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561916 1285315710 /nfs/dbraw/zinc/31/57/10/1285315710.db2.gz MEOJZYKAIITIEF-UYAOXDASSA-N 2 1 342.487 2.698 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561916 1285315716 /nfs/dbraw/zinc/31/57/16/1285315716.db2.gz MEOJZYKAIITIEF-UYAOXDASSA-N 2 1 342.487 2.698 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133403961 1285356099 /nfs/dbraw/zinc/35/60/99/1285356099.db2.gz RJUUVWYTGZTAIK-YJBOKZPZSA-N 2 1 349.906 2.642 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1c[nH+]cc1C ZINC001133401554 1285365014 /nfs/dbraw/zinc/36/50/14/1285365014.db2.gz GKOHYQCDNYZAKU-UHFFFAOYSA-N 2 1 346.862 2.649 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902696 1285382128 /nfs/dbraw/zinc/38/21/28/1285382128.db2.gz OCPIGHYPOXJZPE-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902697 1285383419 /nfs/dbraw/zinc/38/34/19/1285383419.db2.gz OCPIGHYPOXJZPE-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160191 1285437214 /nfs/dbraw/zinc/43/72/14/1285437214.db2.gz DOELDQCVINKMEF-YDZRNGNQSA-N 2 1 327.472 2.587 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160191 1285437219 /nfs/dbraw/zinc/43/72/19/1285437219.db2.gz DOELDQCVINKMEF-YDZRNGNQSA-N 2 1 327.472 2.587 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618488 1285680844 /nfs/dbraw/zinc/68/08/44/1285680844.db2.gz KSOTYNQBFOHSBF-QGZVFWFLSA-N 2 1 335.536 2.927 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033120 1289029974 /nfs/dbraw/zinc/02/99/74/1289029974.db2.gz JBTJSWXLNCXROT-UHFFFAOYSA-N 2 1 332.492 2.604 20 30 EFEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109536 1286024377 /nfs/dbraw/zinc/02/43/77/1286024377.db2.gz HKBKYEPXLRVIAF-BCDXTJNWSA-N 2 1 335.492 2.626 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179134204 1289052922 /nfs/dbraw/zinc/05/29/22/1289052922.db2.gz HTELYBKTNXCRIW-UHFFFAOYSA-N 2 1 335.536 2.931 20 30 EFEDMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H](C)CCCC#N)CC2)CC1 ZINC001172497067 1286171928 /nfs/dbraw/zinc/17/19/28/1286171928.db2.gz XJDKPOSPSSRDAZ-INIZCTEOSA-N 2 1 335.492 2.808 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716638 1286281240 /nfs/dbraw/zinc/28/12/40/1286281240.db2.gz KGHOZHHDTWDKIF-GVDBMIGSSA-N 2 1 341.927 2.591 20 30 EFEDMP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CCC[N@H+]1Cc1ccccc1 ZINC000814885631 1287154231 /nfs/dbraw/zinc/15/42/31/1287154231.db2.gz FSCLZNDGFGFIOI-LZQZEXGQSA-N 2 1 339.487 2.887 20 30 EFEDMP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CCC[N@@H+]1Cc1ccccc1 ZINC000814885631 1287154237 /nfs/dbraw/zinc/15/42/37/1287154237.db2.gz FSCLZNDGFGFIOI-LZQZEXGQSA-N 2 1 339.487 2.887 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772759 1287170449 /nfs/dbraw/zinc/17/04/49/1287170449.db2.gz HJQWLZDMYBWAIL-ROUUACIJSA-N 2 1 343.515 2.641 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774258 1287171100 /nfs/dbraw/zinc/17/11/00/1287171100.db2.gz WWPJSWQRVWOBFT-JKSUJKDBSA-N 2 1 344.503 2.661 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773688 1287171717 /nfs/dbraw/zinc/17/17/17/1287171717.db2.gz QLKQSZXOTSNQSV-HOTGVXAUSA-N 2 1 344.503 2.661 20 30 EFEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176278872 1287920773 /nfs/dbraw/zinc/92/07/73/1287920773.db2.gz JUGUYSRLDYQEAB-AWEZNQCLSA-N 2 1 348.329 2.501 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279663 1287921430 /nfs/dbraw/zinc/92/14/30/1287921430.db2.gz PBEVJHARKCZQRL-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284775 1287923609 /nfs/dbraw/zinc/92/36/09/1287923609.db2.gz KASNGEHGKVWSKG-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727564 1312671344 /nfs/dbraw/zinc/67/13/44/1312671344.db2.gz DMNFUBXMHHOPOY-MSOLQXFVSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680262 1288252817 /nfs/dbraw/zinc/25/28/17/1288252817.db2.gz UAVZJHRTRCBYJQ-KBPBESRZSA-N 2 1 326.872 2.597 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785327 1288367844 /nfs/dbraw/zinc/36/78/44/1288367844.db2.gz UTVNVMSSOHVCHR-ZIAGYGMSSA-N 2 1 347.850 2.506 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177265977 1288368561 /nfs/dbraw/zinc/36/85/61/1288368561.db2.gz AZNTZHDSZMMKIS-KRWDZBQOSA-N 2 1 341.927 2.832 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177336005 1288396662 /nfs/dbraw/zinc/39/66/62/1288396662.db2.gz PPOVBIXKTRAOBA-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177352765 1288415237 /nfs/dbraw/zinc/41/52/37/1288415237.db2.gz LDAGHSXOWBFWGT-UHFFFAOYSA-N 2 1 335.536 2.739 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001177416203 1288424878 /nfs/dbraw/zinc/42/48/78/1288424878.db2.gz VQRMHNYMTDVXIR-UHFFFAOYSA-N 2 1 349.563 2.986 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001177433440 1288438701 /nfs/dbraw/zinc/43/87/01/1288438701.db2.gz GBKLNUKWQSEMDR-FQEVSTJZSA-N 2 1 347.547 2.881 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490415 1288802742 /nfs/dbraw/zinc/80/27/42/1288802742.db2.gz NBFJUGVEUZQNEX-IBGZPJMESA-N 2 1 347.547 2.931 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736598 1288888735 /nfs/dbraw/zinc/88/87/35/1288888735.db2.gz YVYZVAUYDZDNSR-IKGGRYGDSA-N 2 1 332.492 2.942 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178903173 1288976256 /nfs/dbraw/zinc/97/62/56/1288976256.db2.gz UUBYMYNTOMFPAV-UHFFFAOYSA-N 2 1 335.536 2.929 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908411 1288977581 /nfs/dbraw/zinc/97/75/81/1288977581.db2.gz QGNDQPRGWZMGSC-UHFFFAOYSA-N 2 1 336.480 2.582 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585056 1289202146 /nfs/dbraw/zinc/20/21/46/1289202146.db2.gz BKNPEKWGJKBAHQ-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179630174 1289214331 /nfs/dbraw/zinc/21/43/31/1289214331.db2.gz MPOKHNWAQGGQFP-IKGGRYGDSA-N 2 1 332.492 2.940 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165892997 1312698667 /nfs/dbraw/zinc/69/86/67/1312698667.db2.gz FWPKMHINDHFEED-UHFFFAOYSA-N 2 1 333.520 2.539 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001180035421 1289390239 /nfs/dbraw/zinc/39/02/39/1289390239.db2.gz DMCKCHZAJZOIKF-LJQANCHMSA-N 2 1 335.536 2.931 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926857 1312705797 /nfs/dbraw/zinc/70/57/97/1312705797.db2.gz GZBZTTWZCAVCDG-INIZCTEOSA-N 2 1 341.927 2.735 20 30 EFEDMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925776 1289931703 /nfs/dbraw/zinc/93/17/03/1289931703.db2.gz PWVDWGJCFDYRDX-RTBURBONSA-N 2 1 342.487 2.521 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736225 1289938747 /nfs/dbraw/zinc/93/87/47/1289938747.db2.gz KITJDSFUUDOLTA-FUHIMQAGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627211 1290046384 /nfs/dbraw/zinc/04/63/84/1290046384.db2.gz RZBOOWPZYZZKDE-IMBTUZDBSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575446 1290367821 /nfs/dbraw/zinc/36/78/21/1290367821.db2.gz VORASDXILAWALO-WIYYLYMNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575446 1290367824 /nfs/dbraw/zinc/36/78/24/1290367824.db2.gz VORASDXILAWALO-WIYYLYMNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(Cc3cncn3C)C2=O)CC1 ZINC001273491125 1290511656 /nfs/dbraw/zinc/51/16/56/1290511656.db2.gz BTELTPNWCUIYOD-LJQANCHMSA-N 2 1 330.476 2.591 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892115 1290538965 /nfs/dbraw/zinc/53/89/65/1290538965.db2.gz NCFZECPDRPXKCX-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC001232842377 1312793664 /nfs/dbraw/zinc/79/36/64/1312793664.db2.gz BGJSVHJVORPVHA-VQIMIIECSA-N 2 1 345.512 2.800 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185212772 1290620771 /nfs/dbraw/zinc/62/07/71/1290620771.db2.gz CDYGJSNRCNRBRW-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546797 1290718779 /nfs/dbraw/zinc/71/87/79/1290718779.db2.gz DKFOXGXPSOHNSO-GOEBONIOSA-N 2 1 329.916 2.545 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662516 1290784412 /nfs/dbraw/zinc/78/44/12/1290784412.db2.gz LNUDMDXLLOWQEN-PIIMJCKOSA-N 2 1 335.536 2.878 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597076 1290994907 /nfs/dbraw/zinc/99/49/07/1290994907.db2.gz FEHVJYQBFWQLTJ-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776471 1291019391 /nfs/dbraw/zinc/01/93/91/1291019391.db2.gz NXHCDPDIJLCZQU-QZTJIDSGSA-N 2 1 349.906 2.827 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233037 1291063158 /nfs/dbraw/zinc/06/31/58/1291063158.db2.gz ZHIZPRWGJKTWGV-OALUTQOASA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664527 1291439945 /nfs/dbraw/zinc/43/99/45/1291439945.db2.gz MXISPJRQIQWSOV-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664527 1291439951 /nfs/dbraw/zinc/43/99/51/1291439951.db2.gz MXISPJRQIQWSOV-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664527 1291439956 /nfs/dbraw/zinc/43/99/56/1291439956.db2.gz MXISPJRQIQWSOV-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001114724526 1291557563 /nfs/dbraw/zinc/55/75/63/1291557563.db2.gz OKGGTUOKVLUXSS-VNTMZGSJSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114724526 1291557568 /nfs/dbraw/zinc/55/75/68/1291557568.db2.gz OKGGTUOKVLUXSS-VNTMZGSJSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114724526 1291557577 /nfs/dbraw/zinc/55/75/77/1291557577.db2.gz OKGGTUOKVLUXSS-VNTMZGSJSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127546 1291590124 /nfs/dbraw/zinc/59/01/24/1291590124.db2.gz XLFNSNHRUSODER-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127546 1291590128 /nfs/dbraw/zinc/59/01/28/1291590128.db2.gz XLFNSNHRUSODER-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127546 1291590132 /nfs/dbraw/zinc/59/01/32/1291590132.db2.gz XLFNSNHRUSODER-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(C(=O)OC)CC[NH2+]CC2)cc1 ZINC001166981724 1312875138 /nfs/dbraw/zinc/87/51/38/1312875138.db2.gz NEDVNBUQAVEERU-SFHVURJKSA-N 2 1 343.471 2.717 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550251 1291747626 /nfs/dbraw/zinc/74/76/26/1291747626.db2.gz PNWINBFRJZJWGK-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550250 1291747984 /nfs/dbraw/zinc/74/79/84/1291747984.db2.gz PNWINBFRJZJWGK-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612164 1291784270 /nfs/dbraw/zinc/78/42/70/1291784270.db2.gz ICSPOYVJQLWDQL-YSIASYRMSA-N 2 1 347.547 2.994 20 30 EFEDMP C=CCCC[N@H+]1CCc2cc(C(=O)N(C)CC[NH+](CC)CC)[nH]c2C1 ZINC001277779959 1312881765 /nfs/dbraw/zinc/88/17/65/1312881765.db2.gz XGAVPNJILPSOEY-UHFFFAOYSA-N 2 1 346.519 2.753 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623775 1312887605 /nfs/dbraw/zinc/88/76/05/1312887605.db2.gz GJEVNVXWJXYUTD-HKUYNNGSSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602839 1291853693 /nfs/dbraw/zinc/85/36/93/1291853693.db2.gz HSUUFHQPPAAASY-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605899 1291860040 /nfs/dbraw/zinc/86/00/40/1291860040.db2.gz OUIYNEWIHDNARQ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635994 1291934617 /nfs/dbraw/zinc/93/46/17/1291934617.db2.gz ROISGVGFMDAPDV-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049466107 1312890746 /nfs/dbraw/zinc/89/07/46/1312890746.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049466107 1312890750 /nfs/dbraw/zinc/89/07/50/1312890750.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049466107 1312890752 /nfs/dbraw/zinc/89/07/52/1312890752.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246317 1292078469 /nfs/dbraw/zinc/07/84/69/1292078469.db2.gz ACYQDJARLUWRNF-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246317 1292078473 /nfs/dbraw/zinc/07/84/73/1292078473.db2.gz ACYQDJARLUWRNF-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247839 1292080938 /nfs/dbraw/zinc/08/09/38/1292080938.db2.gz UAKURXJHLCLPSX-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247839 1292080943 /nfs/dbraw/zinc/08/09/43/1292080943.db2.gz UAKURXJHLCLPSX-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317083 1292104764 /nfs/dbraw/zinc/10/47/64/1292104764.db2.gz CLUCGERMAXDJNL-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445645 1292164818 /nfs/dbraw/zinc/16/48/18/1292164818.db2.gz ZJGIKFZPEHXGPJ-MSOLQXFVSA-N 2 1 341.515 2.945 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481368 1292177983 /nfs/dbraw/zinc/17/79/83/1292177983.db2.gz VIDRYYSAMMAVHB-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481368 1292177990 /nfs/dbraw/zinc/17/79/90/1292177990.db2.gz VIDRYYSAMMAVHB-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049479896 1312909221 /nfs/dbraw/zinc/90/92/21/1312909221.db2.gz CNMXWQRLEXXNIH-MANSERQUSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479896 1312909224 /nfs/dbraw/zinc/90/92/24/1312909224.db2.gz CNMXWQRLEXXNIH-MANSERQUSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479896 1312909227 /nfs/dbraw/zinc/90/92/27/1312909227.db2.gz CNMXWQRLEXXNIH-MANSERQUSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485480 1312913484 /nfs/dbraw/zinc/91/34/84/1312913484.db2.gz NWBREYYRAWYALD-YESZJQIVSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485480 1312913487 /nfs/dbraw/zinc/91/34/87/1312913487.db2.gz NWBREYYRAWYALD-YESZJQIVSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652821 1292266433 /nfs/dbraw/zinc/26/64/33/1292266433.db2.gz BEPHLGAHVWBTAG-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652821 1292266440 /nfs/dbraw/zinc/26/64/40/1292266440.db2.gz BEPHLGAHVWBTAG-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652821 1292266444 /nfs/dbraw/zinc/26/64/44/1292266444.db2.gz BEPHLGAHVWBTAG-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428326 1312922714 /nfs/dbraw/zinc/92/27/14/1312922714.db2.gz XXVGGYHKVAJPGE-DLBZAZTESA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191008741 1292422186 /nfs/dbraw/zinc/42/21/86/1292422186.db2.gz AIGABYPZMBKNSD-MJGOQNOKSA-N 2 1 344.503 2.725 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191010395 1292423818 /nfs/dbraw/zinc/42/38/18/1292423818.db2.gz LRCLUDHOXGNXEY-MJGOQNOKSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701649 1312934433 /nfs/dbraw/zinc/93/44/33/1312934433.db2.gz CIPAXHBLFWJKLU-ZWKOTPCHSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701648 1312934700 /nfs/dbraw/zinc/93/47/00/1312934700.db2.gz CIPAXHBLFWJKLU-ROUUACIJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191544119 1292563106 /nfs/dbraw/zinc/56/31/06/1292563106.db2.gz ZDMCYZRJHKAMLO-IBGZPJMESA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544072 1292563474 /nfs/dbraw/zinc/56/34/74/1292563474.db2.gz XQUCXQYZDSOUQZ-SFHVURJKSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544147 1292563832 /nfs/dbraw/zinc/56/38/32/1292563832.db2.gz ZRRQXGJBEJXNBG-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544147 1292563841 /nfs/dbraw/zinc/56/38/41/1292563841.db2.gz ZRRQXGJBEJXNBG-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507577 1312941444 /nfs/dbraw/zinc/94/14/44/1312941444.db2.gz SXUMLPMDHGBMNM-QZTJIDSGSA-N 2 1 333.520 2.539 20 30 EFEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508573 1312941886 /nfs/dbraw/zinc/94/18/86/1312941886.db2.gz ZDYGIRCZLNVWAB-ROUUACIJSA-N 2 1 333.520 2.539 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514428 1312950012 /nfs/dbraw/zinc/95/00/12/1312950012.db2.gz DXLUGSDWEBHMNT-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514428 1312950016 /nfs/dbraw/zinc/95/00/16/1312950016.db2.gz DXLUGSDWEBHMNT-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514428 1312950020 /nfs/dbraw/zinc/95/00/20/1312950020.db2.gz DXLUGSDWEBHMNT-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903839 1292923781 /nfs/dbraw/zinc/92/37/81/1292923781.db2.gz NRCLJXGCIVSOCF-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903839 1292923788 /nfs/dbraw/zinc/92/37/88/1292923788.db2.gz NRCLJXGCIVSOCF-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903839 1292923794 /nfs/dbraw/zinc/92/37/94/1292923794.db2.gz NRCLJXGCIVSOCF-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597912 1292939291 /nfs/dbraw/zinc/93/92/91/1292939291.db2.gz XOKKAPOSGCSFEZ-SJORKVTESA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597912 1292939299 /nfs/dbraw/zinc/93/92/99/1292939299.db2.gz XOKKAPOSGCSFEZ-SJORKVTESA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192640564 1292970312 /nfs/dbraw/zinc/97/03/12/1292970312.db2.gz CAFUTAGXTWPFKI-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192640564 1292970323 /nfs/dbraw/zinc/97/03/23/1292970323.db2.gz CAFUTAGXTWPFKI-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP CCNC(NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)=[NH+]CC ZINC000303376614 1293004179 /nfs/dbraw/zinc/00/41/79/1293004179.db2.gz OUFYLBPNJUNRQA-QGZVFWFLSA-N 2 1 332.492 2.797 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408515 1293294875 /nfs/dbraw/zinc/29/48/75/1293294875.db2.gz LWNNUPWUKHPTDE-AZUAARDMSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498021 1293326107 /nfs/dbraw/zinc/32/61/07/1293326107.db2.gz FDJAUFBTVLGHBQ-HZPDHXFCSA-N 2 1 330.476 2.649 20 30 EFEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730232 1313000342 /nfs/dbraw/zinc/00/03/42/1313000342.db2.gz KAKGJDZRBNNGCX-ZWKOTPCHSA-N 2 1 344.503 2.955 20 30 EFEDMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758433 1313008233 /nfs/dbraw/zinc/00/82/33/1313008233.db2.gz YCIHDARQHSZNCW-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758433 1313008238 /nfs/dbraw/zinc/00/82/38/1313008238.db2.gz YCIHDARQHSZNCW-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758433 1313008241 /nfs/dbraw/zinc/00/82/41/1313008241.db2.gz YCIHDARQHSZNCW-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758433 1313008245 /nfs/dbraw/zinc/00/82/45/1313008245.db2.gz YCIHDARQHSZNCW-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008618 /nfs/dbraw/zinc/00/86/18/1313008618.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008619 /nfs/dbraw/zinc/00/86/19/1313008619.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008621 /nfs/dbraw/zinc/00/86/21/1313008621.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008623 /nfs/dbraw/zinc/00/86/23/1313008623.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008625 /nfs/dbraw/zinc/00/86/25/1313008625.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274428 1293562552 /nfs/dbraw/zinc/56/25/52/1293562552.db2.gz HPQVVLNIXVXSIU-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274428 1293562555 /nfs/dbraw/zinc/56/25/55/1293562555.db2.gz HPQVVLNIXVXSIU-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC/C=C\CCC)C2)CC1 ZINC001194246545 1293569538 /nfs/dbraw/zinc/56/95/38/1293569538.db2.gz OMBCGWZOEQYMTA-AQWUKCDYSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448624 1293645743 /nfs/dbraw/zinc/64/57/43/1293645743.db2.gz ILFYYEXJSIUAFM-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448624 1293645747 /nfs/dbraw/zinc/64/57/47/1293645747.db2.gz ILFYYEXJSIUAFM-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448624 1293645750 /nfs/dbraw/zinc/64/57/50/1293645750.db2.gz ILFYYEXJSIUAFM-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448624 1293645756 /nfs/dbraw/zinc/64/57/56/1293645756.db2.gz ILFYYEXJSIUAFM-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563881 1313024496 /nfs/dbraw/zinc/02/44/96/1313024496.db2.gz IJVWQIOZFKVZIP-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563881 1313024500 /nfs/dbraw/zinc/02/45/00/1313024500.db2.gz IJVWQIOZFKVZIP-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563881 1313024501 /nfs/dbraw/zinc/02/45/01/1313024501.db2.gz IJVWQIOZFKVZIP-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922984 1313044057 /nfs/dbraw/zinc/04/40/57/1313044057.db2.gz GTHPZZIQDRQFFW-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924774 1313044854 /nfs/dbraw/zinc/04/48/54/1313044854.db2.gz YWNWLJBXYAZZAT-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195901005 1294063179 /nfs/dbraw/zinc/06/31/79/1294063179.db2.gz UAJROMPCUKNVMX-KRWDZBQOSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195901005 1294063183 /nfs/dbraw/zinc/06/31/83/1294063183.db2.gz UAJROMPCUKNVMX-KRWDZBQOSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195901005 1294063186 /nfs/dbraw/zinc/06/31/86/1294063186.db2.gz UAJROMPCUKNVMX-KRWDZBQOSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873815 1294066947 /nfs/dbraw/zinc/06/69/47/1294066947.db2.gz MXKONZATSRNZSQ-LJQANCHMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CN1c2ccccc2C2(CC[NH+](CCC[NH+](C)C)CC2)C1=O ZINC001273712192 1294131795 /nfs/dbraw/zinc/13/17/95/1294131795.db2.gz QVMXSAKNTQWNJI-UHFFFAOYSA-N 2 1 341.499 2.895 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196424494 1294242758 /nfs/dbraw/zinc/24/27/58/1294242758.db2.gz YSHLOCWDTFATFO-INIZCTEOSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596454 1313066692 /nfs/dbraw/zinc/06/66/92/1313066692.db2.gz WQPWMZLPUKXPOZ-OALUTQOASA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943302 1294418982 /nfs/dbraw/zinc/41/89/82/1294418982.db2.gz NEJBIRHMQHLYJV-WMZOPIPTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943302 1294418985 /nfs/dbraw/zinc/41/89/85/1294418985.db2.gz NEJBIRHMQHLYJV-WMZOPIPTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001197172970 1294473435 /nfs/dbraw/zinc/47/34/35/1294473435.db2.gz SFPRDNFTVPLRGD-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001197172970 1294473436 /nfs/dbraw/zinc/47/34/36/1294473436.db2.gz SFPRDNFTVPLRGD-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172970 1294473442 /nfs/dbraw/zinc/47/34/42/1294473442.db2.gz SFPRDNFTVPLRGD-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172970 1294473443 /nfs/dbraw/zinc/47/34/43/1294473443.db2.gz SFPRDNFTVPLRGD-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NCC1CCC1)c1cccc(OC)c1 ZINC000303770695 1294577677 /nfs/dbraw/zinc/57/76/77/1294577677.db2.gz CAYOCUMWSRAUGK-GOSISDBHSA-N 2 1 332.492 2.783 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303774989 1294578407 /nfs/dbraw/zinc/57/84/07/1294578407.db2.gz GLOVHMYVJQKKHL-GOSISDBHSA-N 2 1 346.519 2.895 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)c1 ZINC000303780266 1294579569 /nfs/dbraw/zinc/57/95/69/1294579569.db2.gz LFWAHNUGVZZEOY-SFHVURJKSA-N 2 1 330.476 2.537 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779881 1294579857 /nfs/dbraw/zinc/57/98/57/1294579857.db2.gz KXWFRUUDDPVUOW-QGZVFWFLSA-N 2 1 334.533 2.617 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000303786002 1294581085 /nfs/dbraw/zinc/58/10/85/1294581085.db2.gz QXEABDMTGKMELH-KRWDZBQOSA-N 2 1 326.444 2.564 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)c1 ZINC000303788118 1294581399 /nfs/dbraw/zinc/58/13/99/1294581399.db2.gz TWYLLJJUCWLERE-SFHVURJKSA-N 2 1 332.492 2.783 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303791534 1294582882 /nfs/dbraw/zinc/58/28/82/1294582882.db2.gz XOXYNHVPIDSMPW-OAHLLOKOSA-N 2 1 346.475 2.839 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000303792764 1294583241 /nfs/dbraw/zinc/58/32/41/1294583241.db2.gz YRWVSEVDRFRWLI-QGZVFWFLSA-N 2 1 346.519 2.892 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303791533 1294583350 /nfs/dbraw/zinc/58/33/50/1294583350.db2.gz XOXYNHVPIDSMPW-HNNXBMFYSA-N 2 1 346.475 2.839 20 30 EFEDMP C[C@@H]1C[N@H+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000303793323 1294583562 /nfs/dbraw/zinc/58/35/62/1294583562.db2.gz ZLOMKKMKAUAFHI-CALCHBBNSA-N 2 1 346.519 2.582 20 30 EFEDMP C[C@@H]1C[N@@H+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000303793323 1294583575 /nfs/dbraw/zinc/58/35/75/1294583575.db2.gz ZLOMKKMKAUAFHI-CALCHBBNSA-N 2 1 346.519 2.582 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303870723 1294593244 /nfs/dbraw/zinc/59/32/44/1294593244.db2.gz BJEJNNHWGWCBAR-BBWFWOEESA-N 2 1 346.519 2.604 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000303879922 1294595322 /nfs/dbraw/zinc/59/53/22/1294595322.db2.gz GUVXGULYHHOTAZ-INIZCTEOSA-N 2 1 346.544 2.782 20 30 EFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303897973 1294598953 /nfs/dbraw/zinc/59/89/53/1294598953.db2.gz QXQMJILHDDGUJY-HDICACEKSA-N 2 1 330.520 2.892 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC000303893013 1294599306 /nfs/dbraw/zinc/59/93/06/1294599306.db2.gz NZHDDPJUCHFZMF-ZIAGYGMSSA-N 2 1 334.464 2.693 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303902473 1294600964 /nfs/dbraw/zinc/60/09/64/1294600964.db2.gz UBBQVYQFLKOYLR-OAHLLOKOSA-N 2 1 348.491 2.943 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCCC1 ZINC000303910424 1294603117 /nfs/dbraw/zinc/60/31/17/1294603117.db2.gz YWJCWHVIUXSCBO-KRWDZBQOSA-N 2 1 332.492 2.783 20 30 EFEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912158 1294617714 /nfs/dbraw/zinc/61/77/14/1294617714.db2.gz KTGLSVNKQPXJNB-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912158 1294617723 /nfs/dbraw/zinc/61/77/23/1294617723.db2.gz KTGLSVNKQPXJNB-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912158 1294617735 /nfs/dbraw/zinc/61/77/35/1294617735.db2.gz KTGLSVNKQPXJNB-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912158 1294617744 /nfs/dbraw/zinc/61/77/44/1294617744.db2.gz KTGLSVNKQPXJNB-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H](C)CC(C)C)CC2)CC1 ZINC001198236520 1294949575 /nfs/dbraw/zinc/94/95/75/1294949575.db2.gz NIBKHPBSCLSZOV-LJQANCHMSA-N 2 1 347.547 2.548 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364387 1295008853 /nfs/dbraw/zinc/00/88/53/1295008853.db2.gz SVJLSVINYNNCHR-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364387 1295008862 /nfs/dbraw/zinc/00/88/62/1295008862.db2.gz SVJLSVINYNNCHR-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364387 1295008869 /nfs/dbraw/zinc/00/88/69/1295008869.db2.gz SVJLSVINYNNCHR-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364387 1295008880 /nfs/dbraw/zinc/00/88/80/1295008880.db2.gz SVJLSVINYNNCHR-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001234402482 1313120329 /nfs/dbraw/zinc/12/03/29/1313120329.db2.gz LPLTYPSPONTSQE-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402482 1313120332 /nfs/dbraw/zinc/12/03/32/1313120332.db2.gz LPLTYPSPONTSQE-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402482 1313120335 /nfs/dbraw/zinc/12/03/35/1313120335.db2.gz LPLTYPSPONTSQE-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403786 1313120454 /nfs/dbraw/zinc/12/04/54/1313120454.db2.gz ZFRFJLXYAIPXQV-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403786 1313120457 /nfs/dbraw/zinc/12/04/57/1313120457.db2.gz ZFRFJLXYAIPXQV-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640240 1313122087 /nfs/dbraw/zinc/12/20/87/1313122087.db2.gz UMRUXALXXLIOPL-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276457664 1313127780 /nfs/dbraw/zinc/12/77/80/1313127780.db2.gz RWTZJTMQZPBRIC-WNGAPAKLSA-N 2 1 337.552 2.850 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)CC1 ZINC001276472556 1313163253 /nfs/dbraw/zinc/16/32/53/1313163253.db2.gz OVYJXWOBFMQIHX-LJQANCHMSA-N 2 1 345.531 2.775 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001234615069 1313169591 /nfs/dbraw/zinc/16/95/91/1313169591.db2.gz YHAHEFHTALMWRU-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001234615069 1313169594 /nfs/dbraw/zinc/16/95/94/1313169594.db2.gz YHAHEFHTALMWRU-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP CC[C@H](CNC(NCc1ccco1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000103337840 1295684673 /nfs/dbraw/zinc/68/46/73/1295684673.db2.gz MYRUHNXGKGRTEM-GOSISDBHSA-N 2 1 340.471 2.782 20 30 EFEDMP CC[C@H](CNC(NCc1ccco1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000103337840 1295684704 /nfs/dbraw/zinc/68/47/04/1295684704.db2.gz MYRUHNXGKGRTEM-GOSISDBHSA-N 2 1 340.471 2.782 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000103338105 1295684890 /nfs/dbraw/zinc/68/48/90/1295684890.db2.gz WLVOQBZLRLREMU-OAHLLOKOSA-N 2 1 346.500 2.918 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162758 1295732203 /nfs/dbraw/zinc/73/22/03/1295732203.db2.gz OBULIMSBDSIUFT-INIZCTEOSA-N 2 1 346.544 2.925 20 30 EFEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304739110 1295746322 /nfs/dbraw/zinc/74/63/22/1295746322.db2.gz AZYNCUKJUKFPTC-UHFFFAOYSA-N 2 1 346.397 2.721 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750820 1295748830 /nfs/dbraw/zinc/74/88/30/1295748830.db2.gz ISKMERGLTOPGQF-NVXWUHKLSA-N 2 1 332.492 2.577 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000304746591 1295748951 /nfs/dbraw/zinc/74/89/51/1295748951.db2.gz FXWUUALMBSRLIB-JKSUJKDBSA-N 2 1 332.492 2.895 20 30 EFEDMP CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305179470 1295966950 /nfs/dbraw/zinc/96/69/50/1295966950.db2.gz BPJLDJGJPSQMPT-HNNXBMFYSA-N 2 1 338.883 2.627 20 30 EFEDMP CCSCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213536 /nfs/dbraw/zinc/21/35/36/1313213536.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 2 1 346.544 2.794 20 30 EFEDMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213538 /nfs/dbraw/zinc/21/35/38/1313213538.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 2 1 346.544 2.794 20 30 EFEDMP CCSCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213542 /nfs/dbraw/zinc/21/35/42/1313213542.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 2 1 346.544 2.794 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754428 1313259774 /nfs/dbraw/zinc/25/97/74/1313259774.db2.gz NLHRPISVMHPEAO-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754428 1313259778 /nfs/dbraw/zinc/25/97/78/1313259778.db2.gz NLHRPISVMHPEAO-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318946 1313268911 /nfs/dbraw/zinc/26/89/11/1313268911.db2.gz WNXUFJUBKOGNFL-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318402 1313269218 /nfs/dbraw/zinc/26/92/18/1313269218.db2.gz BTVGAKWJQQTRTM-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761643 1313271840 /nfs/dbraw/zinc/27/18/40/1313271840.db2.gz KXEYEHGGSXANER-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761643 1313271844 /nfs/dbraw/zinc/27/18/44/1313271844.db2.gz KXEYEHGGSXANER-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767669 1313277900 /nfs/dbraw/zinc/27/79/00/1313277900.db2.gz QDRPDFVUXSNQEB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767669 1313277904 /nfs/dbraw/zinc/27/79/04/1313277904.db2.gz QDRPDFVUXSNQEB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767669 1313277908 /nfs/dbraw/zinc/27/79/08/1313277908.db2.gz QDRPDFVUXSNQEB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001276242356 1296671732 /nfs/dbraw/zinc/67/17/32/1296671732.db2.gz KLVCNMPYRDEQDZ-UHFFFAOYSA-N 2 1 344.478 2.547 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CC1 ZINC001235329578 1313290963 /nfs/dbraw/zinc/29/09/63/1313290963.db2.gz JEUNMDLLDZNPQG-YRIDSSQKSA-N 2 1 344.499 2.620 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452674 1313292203 /nfs/dbraw/zinc/29/22/03/1313292203.db2.gz NPBQMWRNUAEXEM-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461461 1313293408 /nfs/dbraw/zinc/29/34/08/1313293408.db2.gz KCEGSCDSOACCJV-WMZOPIPTSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461822 1313293731 /nfs/dbraw/zinc/29/37/31/1313293731.db2.gz PAGDHMRIDSXHFR-KRWDZBQOSA-N 2 1 330.476 2.555 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464791 1313294537 /nfs/dbraw/zinc/29/45/37/1313294537.db2.gz XFDJKMGZYKFBNJ-IBGZPJMESA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464793 1313294895 /nfs/dbraw/zinc/29/48/95/1313294895.db2.gz XFDJKMGZYKFBNJ-LJQANCHMSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235339011 1313295843 /nfs/dbraw/zinc/29/58/43/1313295843.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339011 1313295847 /nfs/dbraw/zinc/29/58/47/1313295847.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235339011 1313295851 /nfs/dbraw/zinc/29/58/51/1313295851.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCC=C)CC1 ZINC001205479430 1313296901 /nfs/dbraw/zinc/29/69/01/1313296901.db2.gz LZOQEMNCDWLLGY-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCC=C)CC1 ZINC001205479430 1313296905 /nfs/dbraw/zinc/29/69/05/1313296905.db2.gz LZOQEMNCDWLLGY-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCCC)CC1 ZINC001205479577 1313297034 /nfs/dbraw/zinc/29/70/34/1313297034.db2.gz OZDSNPYZOGCOGL-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCCC)CC1 ZINC001205479577 1313297039 /nfs/dbraw/zinc/29/70/39/1313297039.db2.gz OZDSNPYZOGCOGL-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001205479817 1313297427 /nfs/dbraw/zinc/29/74/27/1313297427.db2.gz YSDDARKSNBWZDV-QUCCMNQESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001205479817 1313297428 /nfs/dbraw/zinc/29/74/28/1313297428.db2.gz YSDDARKSNBWZDV-QUCCMNQESA-N 2 1 347.547 2.594 20 30 EFEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000776156265 1296740216 /nfs/dbraw/zinc/74/02/16/1296740216.db2.gz KDNDTVFHVRTHEG-SFHVURJKSA-N 2 1 340.515 2.987 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205558884 1313312845 /nfs/dbraw/zinc/31/28/45/1313312845.db2.gz KYTCHXLRDHYSFJ-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429085 1313319061 /nfs/dbraw/zinc/31/90/61/1313319061.db2.gz WVWRSAHKUBBXLB-OALUTQOASA-N 2 1 342.483 2.919 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807467 1313323290 /nfs/dbraw/zinc/32/32/90/1313323290.db2.gz SSMKBUOCFSNKHE-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201641005 1296992261 /nfs/dbraw/zinc/99/22/61/1296992261.db2.gz UHKXZXSQVLMPDD-INIZCTEOSA-N 2 1 344.503 2.697 20 30 EFEDMP N#CCCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277949553 1313337833 /nfs/dbraw/zinc/33/78/33/1313337833.db2.gz XEYUCCMRQCCFNW-UHFFFAOYSA-N 2 1 328.460 2.769 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820903 1313342759 /nfs/dbraw/zinc/34/27/59/1313342759.db2.gz PKJIAOHPGHAKPJ-RBUKOAKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820902 1313342797 /nfs/dbraw/zinc/34/27/97/1313342797.db2.gz PKJIAOHPGHAKPJ-OALUTQOASA-N 2 1 333.520 2.748 20 30 EFEDMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](CCCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277951669 1313345351 /nfs/dbraw/zinc/34/53/51/1313345351.db2.gz MGLGCKRWYXLHPH-HDICACEKSA-N 2 1 329.492 2.566 20 30 EFEDMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](CCCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277951669 1313345355 /nfs/dbraw/zinc/34/53/55/1313345355.db2.gz MGLGCKRWYXLHPH-HDICACEKSA-N 2 1 329.492 2.566 20 30 EFEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235530678 1313345539 /nfs/dbraw/zinc/34/55/39/1313345539.db2.gz WHDKDFGARSLMCV-FQEVSTJZSA-N 2 1 327.472 2.828 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CCO2 ZINC001235608828 1313358761 /nfs/dbraw/zinc/35/87/61/1313358761.db2.gz HIOMVXSQILIDEN-PZJWPPBQSA-N 2 1 348.531 2.840 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CCO2 ZINC001235630891 1313363045 /nfs/dbraw/zinc/36/30/45/1313363045.db2.gz HIOMVXSQILIDEN-TZIWHRDSSA-N 2 1 348.531 2.840 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202198001 1297280753 /nfs/dbraw/zinc/28/07/53/1297280753.db2.gz ZQUNBQVSRVRSIE-NVXWUHKLSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835541 1313365800 /nfs/dbraw/zinc/36/58/00/1313365800.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835541 1313365804 /nfs/dbraw/zinc/36/58/04/1313365804.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835541 1313365808 /nfs/dbraw/zinc/36/58/08/1313365808.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049837742 1313369087 /nfs/dbraw/zinc/36/90/87/1313369087.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837742 1313369091 /nfs/dbraw/zinc/36/90/91/1313369091.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837742 1313369094 /nfs/dbraw/zinc/36/90/94/1313369094.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007111 1313390275 /nfs/dbraw/zinc/39/02/75/1313390275.db2.gz ZBXPZXIJQGEDAL-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267858 1297772401 /nfs/dbraw/zinc/77/24/01/1297772401.db2.gz LLJGCFBPQCVTFC-WERVVEIQSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267858 1297772411 /nfs/dbraw/zinc/77/24/11/1297772411.db2.gz LLJGCFBPQCVTFC-WERVVEIQSA-N 2 1 341.499 2.761 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235969100 1313425006 /nfs/dbraw/zinc/42/50/06/1313425006.db2.gz OEXJPBYYEFVMOS-HYVNUMGLSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235969100 1313425008 /nfs/dbraw/zinc/42/50/08/1313425008.db2.gz OEXJPBYYEFVMOS-HYVNUMGLSA-N 2 1 349.425 2.892 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282563 1313431248 /nfs/dbraw/zinc/43/12/48/1313431248.db2.gz VJCCYPBRQYGCCL-PKOBYXMFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001236020066 1313432061 /nfs/dbraw/zinc/43/20/61/1313432061.db2.gz DXKWGYLDWSAWOM-YRIDSSQKSA-N 2 1 344.499 2.620 20 30 EFEDMP N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c(F)c1 ZINC001236062936 1313435996 /nfs/dbraw/zinc/43/59/96/1313435996.db2.gz PUJVDPOGWKIDAA-UHFFFAOYSA-N 2 1 336.414 2.623 20 30 EFEDMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076559 1313438582 /nfs/dbraw/zinc/43/85/82/1313438582.db2.gz BOARYJZUZZHPLL-QHCPKHFHSA-N 2 1 345.490 2.694 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017616572 1313439875 /nfs/dbraw/zinc/43/98/75/1313439875.db2.gz CMBWKECIWQDGGW-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017616572 1313439879 /nfs/dbraw/zinc/43/98/79/1313439879.db2.gz CMBWKECIWQDGGW-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017616572 1313439882 /nfs/dbraw/zinc/43/98/82/1313439882.db2.gz CMBWKECIWQDGGW-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017616572 1313439886 /nfs/dbraw/zinc/43/98/86/1313439886.db2.gz CMBWKECIWQDGGW-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618673 1313441472 /nfs/dbraw/zinc/44/14/72/1313441472.db2.gz UIBLMVAHWPIZEI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618673 1313441476 /nfs/dbraw/zinc/44/14/76/1313441476.db2.gz UIBLMVAHWPIZEI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618673 1313441480 /nfs/dbraw/zinc/44/14/80/1313441480.db2.gz UIBLMVAHWPIZEI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439789 1298009090 /nfs/dbraw/zinc/00/90/90/1298009090.db2.gz VSZMTNKTGQENPC-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439789 1298009094 /nfs/dbraw/zinc/00/90/94/1298009094.db2.gz VSZMTNKTGQENPC-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439789 1298009104 /nfs/dbraw/zinc/00/91/04/1298009104.db2.gz VSZMTNKTGQENPC-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549080 1313474213 /nfs/dbraw/zinc/47/42/13/1313474213.db2.gz UKFQMYONVOZBBI-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913487 1313475447 /nfs/dbraw/zinc/47/54/47/1313475447.db2.gz YKFWJEBVOROSSN-RTBURBONSA-N 2 1 327.472 2.613 20 30 EFEDMP CCCCCCCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399068 1313476483 /nfs/dbraw/zinc/47/64/83/1313476483.db2.gz LBCJDSSXRRZQAJ-UHFFFAOYSA-N 2 1 339.568 2.981 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913879 1313476704 /nfs/dbraw/zinc/47/67/04/1313476704.db2.gz JJACOIWBSRKABL-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914090 1313477450 /nfs/dbraw/zinc/47/74/50/1313477450.db2.gz MGHCVGOXRRVIBJ-XUVXKRRUSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914090 1313477453 /nfs/dbraw/zinc/47/74/53/1313477453.db2.gz MGHCVGOXRRVIBJ-XUVXKRRUSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914904 1313477819 /nfs/dbraw/zinc/47/78/19/1313477819.db2.gz SCIDXUPNNZZGEL-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156611 1298222942 /nfs/dbraw/zinc/22/29/42/1298222942.db2.gz LGTQAWKEXPQKAG-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915428 1313479262 /nfs/dbraw/zinc/47/92/62/1313479262.db2.gz VUGHOWHALHQCHF-QRVBRYPASA-N 2 1 327.472 2.541 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915428 1313479265 /nfs/dbraw/zinc/47/92/65/1313479265.db2.gz VUGHOWHALHQCHF-QRVBRYPASA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921519 1313487132 /nfs/dbraw/zinc/48/71/32/1313487132.db2.gz WSTHMRXXTZWZLI-SJORKVTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921519 1313487133 /nfs/dbraw/zinc/48/71/33/1313487133.db2.gz WSTHMRXXTZWZLI-SJORKVTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199064 1298304761 /nfs/dbraw/zinc/30/47/61/1298304761.db2.gz JMHAJQMZZBCSPI-QZTJIDSGSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202049 1298315513 /nfs/dbraw/zinc/31/55/13/1298315513.db2.gz SWVDIBQSSXJRQZ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202049 1298315527 /nfs/dbraw/zinc/31/55/27/1298315527.db2.gz SWVDIBQSSXJRQZ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224123 1298358396 /nfs/dbraw/zinc/35/83/96/1298358396.db2.gz CXPCEWBTNRZQBW-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222661 1298358568 /nfs/dbraw/zinc/35/85/68/1298358568.db2.gz SHNZJZYIHHHARF-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234791 1298384373 /nfs/dbraw/zinc/38/43/73/1298384373.db2.gz XOYUEUVMZXMZNG-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259108 1298438807 /nfs/dbraw/zinc/43/88/07/1298438807.db2.gz GBVYQYYNVPEIJP-IRXDYDNUSA-N 2 1 344.503 2.824 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259108 1298438814 /nfs/dbraw/zinc/43/88/14/1298438814.db2.gz GBVYQYYNVPEIJP-IRXDYDNUSA-N 2 1 344.503 2.824 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292534 1298509819 /nfs/dbraw/zinc/50/98/19/1298509819.db2.gz JREYCVPJCRQVRN-PMACEKPBSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017768074 1313519058 /nfs/dbraw/zinc/51/90/58/1313519058.db2.gz XDULIBUECNEATH-KDURUIRLSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017768074 1313519059 /nfs/dbraw/zinc/51/90/59/1313519059.db2.gz XDULIBUECNEATH-KDURUIRLSA-N 2 1 341.499 2.656 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961365487 1298622089 /nfs/dbraw/zinc/62/20/89/1298622089.db2.gz DTNNGDBWZSJPDJ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365487 1298622097 /nfs/dbraw/zinc/62/20/97/1298622097.db2.gz DTNNGDBWZSJPDJ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365487 1298622110 /nfs/dbraw/zinc/62/21/10/1298622110.db2.gz DTNNGDBWZSJPDJ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372295 1298636500 /nfs/dbraw/zinc/63/65/00/1298636500.db2.gz AVKAZQMIWOTQNL-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961375032 1298640724 /nfs/dbraw/zinc/64/07/24/1298640724.db2.gz NZXYPMXTBLXRFQ-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377576 1298649906 /nfs/dbraw/zinc/64/99/06/1298649906.db2.gz XNZMUJYKAXSIGW-PMACEKPBSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707817 /nfs/dbraw/zinc/70/78/17/1298707817.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707826 /nfs/dbraw/zinc/70/78/26/1298707826.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707836 /nfs/dbraw/zinc/70/78/36/1298707836.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961435357 1298743961 /nfs/dbraw/zinc/74/39/61/1298743961.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435357 1298743966 /nfs/dbraw/zinc/74/39/66/1298743966.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435357 1298743976 /nfs/dbraw/zinc/74/39/76/1298743976.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017835928 1313548259 /nfs/dbraw/zinc/54/82/59/1313548259.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835928 1313548262 /nfs/dbraw/zinc/54/82/62/1313548262.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835928 1313548265 /nfs/dbraw/zinc/54/82/65/1313548265.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969637 1313575650 /nfs/dbraw/zinc/57/56/50/1313575650.db2.gz FTAWJQLGSHLORL-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969637 1313575654 /nfs/dbraw/zinc/57/56/54/1313575654.db2.gz FTAWJQLGSHLORL-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643612 1313594848 /nfs/dbraw/zinc/59/48/48/1313594848.db2.gz MXERHSOFFPTMPA-PVAVHDDUSA-N 2 1 331.460 2.643 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643612 1313594852 /nfs/dbraw/zinc/59/48/52/1313594852.db2.gz MXERHSOFFPTMPA-PVAVHDDUSA-N 2 1 331.460 2.643 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@H]2CC ZINC001207279765 1313651221 /nfs/dbraw/zinc/65/12/21/1313651221.db2.gz JMSWHDTVDYQAEN-PXNSSMCTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313536 1300574007 /nfs/dbraw/zinc/57/40/07/1300574007.db2.gz GCUIHVRUMCYGAZ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344968 1300649447 /nfs/dbraw/zinc/64/94/47/1300649447.db2.gz BRWNZXAHMGRQSN-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348616 1300659385 /nfs/dbraw/zinc/65/93/85/1300659385.db2.gz ZOMNVAAKJDOAJW-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358194 1300679813 /nfs/dbraw/zinc/67/98/13/1300679813.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358194 1300679817 /nfs/dbraw/zinc/67/98/17/1300679817.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358194 1300679820 /nfs/dbraw/zinc/67/98/20/1300679820.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358977 1300682796 /nfs/dbraw/zinc/68/27/96/1300682796.db2.gz ZOFMYQXQMADGCQ-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363872 1300693699 /nfs/dbraw/zinc/69/36/99/1300693699.db2.gz AETZGFZMDRHNFS-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364391 1300696063 /nfs/dbraw/zinc/69/60/63/1300696063.db2.gz BYGHOSPXUZHCEX-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372341 1300716722 /nfs/dbraw/zinc/71/67/22/1300716722.db2.gz SDCWKNYQOFOTGC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372341 1300716725 /nfs/dbraw/zinc/71/67/25/1300716725.db2.gz SDCWKNYQOFOTGC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384582 1300742742 /nfs/dbraw/zinc/74/27/42/1300742742.db2.gz VHAFAMHRZVEINK-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387960 1300749631 /nfs/dbraw/zinc/74/96/31/1300749631.db2.gz XILSAKVILXTDRN-DLBZAZTESA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387960 1300749641 /nfs/dbraw/zinc/74/96/41/1300749641.db2.gz XILSAKVILXTDRN-DLBZAZTESA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413252 1300796083 /nfs/dbraw/zinc/79/60/83/1300796083.db2.gz CXVOHAUYKXUQLD-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417624 1300811454 /nfs/dbraw/zinc/81/14/54/1300811454.db2.gz PBMXYXFJSPVYAD-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417624 1300811467 /nfs/dbraw/zinc/81/14/67/1300811467.db2.gz PBMXYXFJSPVYAD-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735077 /nfs/dbraw/zinc/73/50/77/1313735077.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 2 1 349.482 2.668 20 30 EFEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735081 /nfs/dbraw/zinc/73/50/81/1313735081.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 2 1 349.482 2.668 20 30 EFEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735085 /nfs/dbraw/zinc/73/50/85/1313735085.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 2 1 349.482 2.668 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000246371157 1301235669 /nfs/dbraw/zinc/23/56/69/1301235669.db2.gz JHGOVGMRGASUFS-USXIJHARSA-N 2 1 331.460 2.948 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000246371157 1301235671 /nfs/dbraw/zinc/23/56/71/1301235671.db2.gz JHGOVGMRGASUFS-USXIJHARSA-N 2 1 331.460 2.948 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963933453 1301492817 /nfs/dbraw/zinc/49/28/17/1301492817.db2.gz LKMYSCGRPSXOLK-FUSSNKQKSA-N 2 1 333.520 2.557 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963946581 1301505187 /nfs/dbraw/zinc/50/51/87/1301505187.db2.gz GNXMLLZLPZJBFX-JWALYWQKSA-N 2 1 331.504 2.596 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784030 1313773937 /nfs/dbraw/zinc/77/39/37/1313773937.db2.gz BZUQVKLABJSPIQ-ZHALLVOQSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202502222 1301644599 /nfs/dbraw/zinc/64/45/99/1301644599.db2.gz BMJVJHSZXPKCGN-IBGZPJMESA-N 2 1 339.499 2.746 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000964154559 1301679043 /nfs/dbraw/zinc/67/90/43/1301679043.db2.gz WXVBPZZRBBOKBJ-CTWPCTMYSA-N 2 1 333.520 2.633 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCCCF)CC3)cc1C#N ZINC001278205149 1313787029 /nfs/dbraw/zinc/78/70/29/1313787029.db2.gz BBMDXDDGUGJGFV-UHFFFAOYSA-N 2 1 332.467 2.934 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008160 1313823691 /nfs/dbraw/zinc/82/36/91/1313823691.db2.gz ONICXYCYGPTFSH-SOLBZPMBSA-N 2 1 344.503 2.553 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008160 1313823694 /nfs/dbraw/zinc/82/36/94/1313823694.db2.gz ONICXYCYGPTFSH-SOLBZPMBSA-N 2 1 344.503 2.553 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110868 1313849761 /nfs/dbraw/zinc/84/97/61/1313849761.db2.gz WGQVPZBIZLGCNS-UYAOXDASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128880 1313853441 /nfs/dbraw/zinc/85/34/41/1313853441.db2.gz KAJWXALPIXPMDD-RHSMWYFYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128880 1313853442 /nfs/dbraw/zinc/85/34/42/1313853442.db2.gz KAJWXALPIXPMDD-RHSMWYFYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128880 1313853445 /nfs/dbraw/zinc/85/34/45/1313853445.db2.gz KAJWXALPIXPMDD-RHSMWYFYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128880 1313853448 /nfs/dbraw/zinc/85/34/48/1313853448.db2.gz KAJWXALPIXPMDD-RHSMWYFYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110866 1313849459 /nfs/dbraw/zinc/84/94/59/1313849459.db2.gz WGQVPZBIZLGCNS-ICSRJNTNSA-N 2 1 336.520 2.792 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001208178125 1313862185 /nfs/dbraw/zinc/86/21/85/1313862185.db2.gz KSGPTCNILKBNEN-GOSISDBHSA-N 2 1 345.531 2.951 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331041 1313901051 /nfs/dbraw/zinc/90/10/51/1313901051.db2.gz JSCPRKPGTUEFIY-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000965813432 1303324878 /nfs/dbraw/zinc/32/48/78/1303324878.db2.gz FOPXTBTZVOXVJP-WZXTXQKWSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218966 1313914745 /nfs/dbraw/zinc/91/47/45/1313914745.db2.gz NUNSUKANIWESRA-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218966 1313914750 /nfs/dbraw/zinc/91/47/50/1313914750.db2.gz NUNSUKANIWESRA-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218966 1313914752 /nfs/dbraw/zinc/91/47/52/1313914752.db2.gz NUNSUKANIWESRA-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114408989 1304046828 /nfs/dbraw/zinc/04/68/28/1304046828.db2.gz DZKHVMXQNGRTLJ-NTDBWNAOSA-N 2 1 344.503 2.777 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114408989 1304046838 /nfs/dbraw/zinc/04/68/38/1304046838.db2.gz DZKHVMXQNGRTLJ-NTDBWNAOSA-N 2 1 344.503 2.777 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1CC ZINC001037879208 1304100168 /nfs/dbraw/zinc/10/01/68/1304100168.db2.gz HJKPNQBLPXHVIB-SJORKVTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1CC ZINC001037879201 1304100567 /nfs/dbraw/zinc/10/05/67/1304100567.db2.gz HJKPNQBLPXHVIB-DLBZAZTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576881 1313966573 /nfs/dbraw/zinc/96/65/73/1313966573.db2.gz RZDJIHCRFUBBKG-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1ccnc1 ZINC001114898955 1304192825 /nfs/dbraw/zinc/19/28/25/1304192825.db2.gz JQPUEOKMTMZZDF-IMBTUZDBSA-N 2 1 330.476 2.627 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604104 1313974054 /nfs/dbraw/zinc/97/40/54/1313974054.db2.gz ANOFVVQWUWMDPZ-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604104 1313974057 /nfs/dbraw/zinc/97/40/57/1313974057.db2.gz ANOFVVQWUWMDPZ-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403703 1304951846 /nfs/dbraw/zinc/95/18/46/1304951846.db2.gz ZIABOZBLBFMEAL-FUHWJXTLSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403703 1304951849 /nfs/dbraw/zinc/95/18/49/1304951849.db2.gz ZIABOZBLBFMEAL-FUHWJXTLSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403703 1304951851 /nfs/dbraw/zinc/95/18/51/1304951851.db2.gz ZIABOZBLBFMEAL-FUHWJXTLSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423703 1304975083 /nfs/dbraw/zinc/97/50/83/1304975083.db2.gz IOJGVIGLURGRBD-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001043618207 1305939758 /nfs/dbraw/zinc/93/97/58/1305939758.db2.gz XDCPKNUOPGWRPQ-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001043618207 1305939766 /nfs/dbraw/zinc/93/97/66/1305939766.db2.gz XDCPKNUOPGWRPQ-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001209203717 1314114922 /nfs/dbraw/zinc/11/49/22/1314114922.db2.gz UTLJPIDZBUZJCD-UHFFFAOYSA-N 2 1 332.492 2.646 20 30 EFEDMP C=CCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209203717 1314114923 /nfs/dbraw/zinc/11/49/23/1314114923.db2.gz UTLJPIDZBUZJCD-UHFFFAOYSA-N 2 1 332.492 2.646 20 30 EFEDMP C=CCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209203717 1314114925 /nfs/dbraw/zinc/11/49/25/1314114925.db2.gz UTLJPIDZBUZJCD-UHFFFAOYSA-N 2 1 332.492 2.646 20 30 EFEDMP C=CCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209204041 1314115598 /nfs/dbraw/zinc/11/55/98/1314115598.db2.gz XYRVGJGOZVZKLK-UHFFFAOYSA-N 2 1 332.492 2.647 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419531 1306289481 /nfs/dbraw/zinc/28/94/81/1306289481.db2.gz USGQTWFCRBUGML-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552083 1306448937 /nfs/dbraw/zinc/44/89/37/1306448937.db2.gz BSIQRCBFUTZLRY-WBVHZDCISA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552083 1306448940 /nfs/dbraw/zinc/44/89/40/1306448940.db2.gz BSIQRCBFUTZLRY-WBVHZDCISA-N 2 1 330.476 2.554 20 30 EFEDMP C#CCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209263408 1314128114 /nfs/dbraw/zinc/12/81/14/1314128114.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 2 1 330.516 2.860 20 30 EFEDMP C#CCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209263408 1314128116 /nfs/dbraw/zinc/12/81/16/1314128116.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 2 1 330.516 2.860 20 30 EFEDMP C#CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209263408 1314128118 /nfs/dbraw/zinc/12/81/18/1314128118.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 2 1 330.516 2.860 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209264289 1314128346 /nfs/dbraw/zinc/12/83/46/1314128346.db2.gz ZPYKUTXBXHIHKH-LJQANCHMSA-N 2 1 327.472 2.550 20 30 EFEDMP C#CCCC[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001209267119 1314128895 /nfs/dbraw/zinc/12/88/95/1314128895.db2.gz AOFQIUVFXYZCNK-UHFFFAOYSA-N 2 1 349.519 2.853 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683221 1306564853 /nfs/dbraw/zinc/56/48/53/1306564853.db2.gz ZVMWQJSLRWPNBL-MJGOQNOKSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860882 1314428611 /nfs/dbraw/zinc/42/86/11/1314428611.db2.gz YYKOFOABLCVDPB-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887357 1306761343 /nfs/dbraw/zinc/76/13/43/1306761343.db2.gz BRGSMCSTHOWAFG-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887357 1306761350 /nfs/dbraw/zinc/76/13/50/1306761350.db2.gz BRGSMCSTHOWAFG-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887357 1306761357 /nfs/dbraw/zinc/76/13/57/1306761357.db2.gz BRGSMCSTHOWAFG-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888640 1306764142 /nfs/dbraw/zinc/76/41/42/1306764142.db2.gz XMNVSSOUKXRMDC-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888640 1306764147 /nfs/dbraw/zinc/76/41/47/1306764147.db2.gz XMNVSSOUKXRMDC-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888640 1306764154 /nfs/dbraw/zinc/76/41/54/1306764154.db2.gz XMNVSSOUKXRMDC-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044767231 1306786408 /nfs/dbraw/zinc/78/64/08/1306786408.db2.gz MQPPMWZSLDXKAE-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934531 1306814505 /nfs/dbraw/zinc/81/45/05/1306814505.db2.gz ZOYCZQIRMWLSKE-SFHVURJKSA-N 2 1 333.520 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022300 1306899428 /nfs/dbraw/zinc/89/94/28/1306899428.db2.gz BKHQEXOCWJPBCT-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022300 1306899431 /nfs/dbraw/zinc/89/94/31/1306899431.db2.gz BKHQEXOCWJPBCT-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209437495 1314163469 /nfs/dbraw/zinc/16/34/69/1314163469.db2.gz MKNXEILVOGHOIP-UHFFFAOYSA-N 2 1 332.492 2.647 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489190 1314172736 /nfs/dbraw/zinc/17/27/36/1314172736.db2.gz ZARBWZPFNGVQLA-JFIYKMOQSA-N 2 1 332.492 2.763 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489190 1314172739 /nfs/dbraw/zinc/17/27/39/1314172739.db2.gz ZARBWZPFNGVQLA-JFIYKMOQSA-N 2 1 332.492 2.763 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475871 1307365824 /nfs/dbraw/zinc/36/58/24/1307365824.db2.gz VAXYAZOQYYWUMP-QZTJIDSGSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531732 1307407388 /nfs/dbraw/zinc/40/73/88/1307407388.db2.gz PVXFBVCJIYUTMS-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531732 1307407391 /nfs/dbraw/zinc/40/73/91/1307407391.db2.gz PVXFBVCJIYUTMS-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585202 1307448363 /nfs/dbraw/zinc/44/83/63/1307448363.db2.gz OXCMHVKBSSRNPV-MSOLQXFVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585465 1307449015 /nfs/dbraw/zinc/44/90/15/1307449015.db2.gz QTYPUBFWCUNELJ-HZPDHXFCSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585465 1307449017 /nfs/dbraw/zinc/44/90/17/1307449017.db2.gz QTYPUBFWCUNELJ-HZPDHXFCSA-N 2 1 339.911 2.727 20 30 EFEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705294 1314203279 /nfs/dbraw/zinc/20/32/79/1314203279.db2.gz KTGLSVNKQPXJNB-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705294 1314203284 /nfs/dbraw/zinc/20/32/84/1314203284.db2.gz KTGLSVNKQPXJNB-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705294 1314203288 /nfs/dbraw/zinc/20/32/88/1314203288.db2.gz KTGLSVNKQPXJNB-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705294 1314203292 /nfs/dbraw/zinc/20/32/92/1314203292.db2.gz KTGLSVNKQPXJNB-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209644146 1314208663 /nfs/dbraw/zinc/20/86/63/1314208663.db2.gz ZBJMVGJKRKRWPA-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938628 1307941994 /nfs/dbraw/zinc/94/19/94/1307941994.db2.gz HCHMRCXRISMXGP-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938628 1307941996 /nfs/dbraw/zinc/94/19/96/1307941996.db2.gz HCHMRCXRISMXGP-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938628 1307941998 /nfs/dbraw/zinc/94/19/98/1307941998.db2.gz HCHMRCXRISMXGP-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278199 1307956115 /nfs/dbraw/zinc/95/61/15/1307956115.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278199 1307956119 /nfs/dbraw/zinc/95/61/19/1307956119.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278199 1307956122 /nfs/dbraw/zinc/95/61/22/1307956122.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943064 1307956952 /nfs/dbraw/zinc/95/69/52/1307956952.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045943064 1307956955 /nfs/dbraw/zinc/95/69/55/1307956955.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045943064 1307956960 /nfs/dbraw/zinc/95/69/60/1307956960.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945162 1307962506 /nfs/dbraw/zinc/96/25/06/1307962506.db2.gz NUEVKUWBHCAZHS-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945162 1307962512 /nfs/dbraw/zinc/96/25/12/1307962512.db2.gz NUEVKUWBHCAZHS-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945553 1307965901 /nfs/dbraw/zinc/96/59/01/1307965901.db2.gz VUBKVFRAZURXSZ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945553 1307965904 /nfs/dbraw/zinc/96/59/04/1307965904.db2.gz VUBKVFRAZURXSZ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945553 1307965909 /nfs/dbraw/zinc/96/59/09/1307965909.db2.gz VUBKVFRAZURXSZ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045946857 1307968064 /nfs/dbraw/zinc/96/80/64/1307968064.db2.gz BWRYKHDXZHTDBC-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948728 1307974347 /nfs/dbraw/zinc/97/43/47/1307974347.db2.gz QLVVLBXJQYSASA-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948728 1307974350 /nfs/dbraw/zinc/97/43/50/1307974350.db2.gz QLVVLBXJQYSASA-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948728 1307974354 /nfs/dbraw/zinc/97/43/54/1307974354.db2.gz QLVVLBXJQYSASA-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949143 1307975266 /nfs/dbraw/zinc/97/52/66/1307975266.db2.gz YMSJTAQRZABQCN-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949143 1307975268 /nfs/dbraw/zinc/97/52/68/1307975268.db2.gz YMSJTAQRZABQCN-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949143 1307975270 /nfs/dbraw/zinc/97/52/70/1307975270.db2.gz YMSJTAQRZABQCN-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958661 1307999921 /nfs/dbraw/zinc/99/99/21/1307999921.db2.gz VTBNHQLZPNVCKO-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045962134 1308011478 /nfs/dbraw/zinc/01/14/78/1308011478.db2.gz XQGIHFHHXSIXOC-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045962134 1308011483 /nfs/dbraw/zinc/01/14/83/1308011483.db2.gz XQGIHFHHXSIXOC-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045962134 1308011489 /nfs/dbraw/zinc/01/14/89/1308011489.db2.gz XQGIHFHHXSIXOC-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966977 1308023616 /nfs/dbraw/zinc/02/36/16/1308023616.db2.gz KMBFMIMUHVCAEH-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966978 1308024150 /nfs/dbraw/zinc/02/41/50/1308024150.db2.gz KMBFMIMUHVCAEH-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976120 1308050551 /nfs/dbraw/zinc/05/05/51/1308050551.db2.gz RCINDEDDGZMPLF-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977283 1308055760 /nfs/dbraw/zinc/05/57/60/1308055760.db2.gz ABGKPKPZWLATTO-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980098 1308065479 /nfs/dbraw/zinc/06/54/79/1308065479.db2.gz QSMZXWIUNZLJQP-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980098 1308065483 /nfs/dbraw/zinc/06/54/83/1308065483.db2.gz QSMZXWIUNZLJQP-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980098 1308065486 /nfs/dbraw/zinc/06/54/86/1308065486.db2.gz QSMZXWIUNZLJQP-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982958 1308076871 /nfs/dbraw/zinc/07/68/71/1308076871.db2.gz HQUMOZFOCAUXGB-GOSISDBHSA-N 2 1 339.911 2.539 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986432 1308086839 /nfs/dbraw/zinc/08/68/39/1308086839.db2.gz QPVFMGMHEZWJHE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986432 1308086844 /nfs/dbraw/zinc/08/68/44/1308086844.db2.gz QPVFMGMHEZWJHE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986432 1308086847 /nfs/dbraw/zinc/08/68/47/1308086847.db2.gz QPVFMGMHEZWJHE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986538 1308088583 /nfs/dbraw/zinc/08/85/83/1308088583.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986538 1308088586 /nfs/dbraw/zinc/08/85/86/1308088586.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986538 1308088589 /nfs/dbraw/zinc/08/85/89/1308088589.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279419 1314250862 /nfs/dbraw/zinc/25/08/62/1314250862.db2.gz AVMLNLRLLNEQFO-DOTOQJQBSA-N 2 1 339.911 2.727 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883727 1314253355 /nfs/dbraw/zinc/25/33/55/1314253355.db2.gz OGQZLOGTTLTWGZ-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703212 1314311218 /nfs/dbraw/zinc/31/12/18/1314311218.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052703212 1314311220 /nfs/dbraw/zinc/31/12/20/1314311220.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052703212 1314311222 /nfs/dbraw/zinc/31/12/22/1314311222.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708489 1314315080 /nfs/dbraw/zinc/31/50/80/1314315080.db2.gz BNZROORUYJIIQV-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046938100 1309718329 /nfs/dbraw/zinc/71/83/29/1309718329.db2.gz OKYXADSFBCYTSE-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046938100 1309718333 /nfs/dbraw/zinc/71/83/33/1309718333.db2.gz OKYXADSFBCYTSE-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046938100 1309718337 /nfs/dbraw/zinc/71/83/37/1309718337.db2.gz OKYXADSFBCYTSE-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046951142 1309749596 /nfs/dbraw/zinc/74/95/96/1309749596.db2.gz OWSBIDAAICYKHM-CQSZACIVSA-N 2 1 348.397 2.516 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047243997 1310399222 /nfs/dbraw/zinc/39/92/22/1310399222.db2.gz OPBXHLJDGVXANV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257635 1310432912 /nfs/dbraw/zinc/43/29/12/1310432912.db2.gz SMKRDJNBHOMFGH-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047264849 1310456758 /nfs/dbraw/zinc/45/67/58/1310456758.db2.gz VEBOUNGFZOKLGV-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047264848 1310456855 /nfs/dbraw/zinc/45/68/55/1310456855.db2.gz VEBOUNGFZOKLGV-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841628 1311041590 /nfs/dbraw/zinc/04/15/90/1311041590.db2.gz AAKMUXOGVZGWAC-KZNAEPCWSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841628 1311041592 /nfs/dbraw/zinc/04/15/92/1311041592.db2.gz AAKMUXOGVZGWAC-KZNAEPCWSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848235 1311042329 /nfs/dbraw/zinc/04/23/29/1311042329.db2.gz FVSKSHQVVKRXCX-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846799 1311042676 /nfs/dbraw/zinc/04/26/76/1311042676.db2.gz ODEMVDVXLODJIB-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846799 1311042681 /nfs/dbraw/zinc/04/26/81/1311042681.db2.gz ODEMVDVXLODJIB-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952121 1311059331 /nfs/dbraw/zinc/05/93/31/1311059331.db2.gz PRYCFMLVXPGQQV-GPMSIDNRSA-N 2 1 342.487 2.649 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952121 1311059333 /nfs/dbraw/zinc/05/93/33/1311059333.db2.gz PRYCFMLVXPGQQV-GPMSIDNRSA-N 2 1 342.487 2.649 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340724 1311088126 /nfs/dbraw/zinc/08/81/26/1311088126.db2.gz XNFIPQWDKVIWJI-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340724 1311088128 /nfs/dbraw/zinc/08/81/28/1311088128.db2.gz XNFIPQWDKVIWJI-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001099490168 1311097227 /nfs/dbraw/zinc/09/72/27/1311097227.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490168 1311097229 /nfs/dbraw/zinc/09/72/29/1311097229.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490168 1311097231 /nfs/dbraw/zinc/09/72/31/1311097231.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001099490167 1311097342 /nfs/dbraw/zinc/09/73/42/1311097342.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001099490167 1311097346 /nfs/dbraw/zinc/09/73/46/1311097346.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001099490167 1311097350 /nfs/dbraw/zinc/09/73/50/1311097350.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C[C@@H](C#N)OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924053 1311103162 /nfs/dbraw/zinc/10/31/62/1311103162.db2.gz IPDKEYCLYQHITA-ICSRJNTNSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924053 1311103166 /nfs/dbraw/zinc/10/31/66/1311103166.db2.gz IPDKEYCLYQHITA-ICSRJNTNSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000801924053 1311103169 /nfs/dbraw/zinc/10/31/69/1311103169.db2.gz IPDKEYCLYQHITA-ICSRJNTNSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000801924053 1311103173 /nfs/dbraw/zinc/10/31/73/1311103173.db2.gz IPDKEYCLYQHITA-ICSRJNTNSA-N 2 1 327.472 2.903 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601806 1311158141 /nfs/dbraw/zinc/15/81/41/1311158141.db2.gz AAUFCQHLWNCTGO-OAQYLSRUSA-N 2 1 332.447 2.888 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601806 1311158143 /nfs/dbraw/zinc/15/81/43/1311158143.db2.gz AAUFCQHLWNCTGO-OAQYLSRUSA-N 2 1 332.447 2.888 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891182 1311195342 /nfs/dbraw/zinc/19/53/42/1311195342.db2.gz AKCGMODLOPPKSQ-SQNIBIBYSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891182 1311195345 /nfs/dbraw/zinc/19/53/45/1311195345.db2.gz AKCGMODLOPPKSQ-SQNIBIBYSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891182 1311195348 /nfs/dbraw/zinc/19/53/48/1311195348.db2.gz AKCGMODLOPPKSQ-SQNIBIBYSA-N 2 1 342.487 2.650 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001276858298 1311211327 /nfs/dbraw/zinc/21/13/27/1311211327.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 1 340.515 2.572 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001276858298 1311211329 /nfs/dbraw/zinc/21/13/29/1311211329.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 1 340.515 2.572 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001276858298 1311211331 /nfs/dbraw/zinc/21/13/31/1311211331.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 1 340.515 2.572 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001276858298 1311211334 /nfs/dbraw/zinc/21/13/34/1311211334.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 1 340.515 2.572 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001276858298 1311211336 /nfs/dbraw/zinc/21/13/36/1311211336.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 1 340.515 2.572 20 30 EFEDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1C#N ZINC001276858563 1311212055 /nfs/dbraw/zinc/21/20/55/1311212055.db2.gz KKCILLHZLKSIPZ-GASCZTMLSA-N 2 1 330.451 2.537 20 30 EFEDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1C#N ZINC001276858563 1311212058 /nfs/dbraw/zinc/21/20/58/1311212058.db2.gz KKCILLHZLKSIPZ-GASCZTMLSA-N 2 1 330.451 2.537 20 30 EFEDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1C#N ZINC001276858563 1311212059 /nfs/dbraw/zinc/21/20/59/1311212059.db2.gz KKCILLHZLKSIPZ-GASCZTMLSA-N 2 1 330.451 2.537 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001223194862 1311229178 /nfs/dbraw/zinc/22/91/78/1311229178.db2.gz TYSONCWPIBMWPZ-OALUTQOASA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435448 1311241532 /nfs/dbraw/zinc/24/15/32/1311241532.db2.gz PLXAUAVGZNPSBP-GGPKGHCWSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489765 1311267912 /nfs/dbraw/zinc/26/79/12/1311267912.db2.gz VYDBHLPEVNHXDB-QRVBRYPASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698227 1311293551 /nfs/dbraw/zinc/29/35/51/1311293551.db2.gz ZOMXQVVJJJUVMB-CEXWTWQISA-N 2 1 335.536 2.852 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901131 1311318555 /nfs/dbraw/zinc/31/85/55/1311318555.db2.gz RHNGQWKFWIBGOK-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223984626 1311329242 /nfs/dbraw/zinc/32/92/42/1311329242.db2.gz HKHQAAINEFTUNK-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103099510 1311344007 /nfs/dbraw/zinc/34/40/07/1311344007.db2.gz OJMCRPMGLRVPNY-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103099510 1311344012 /nfs/dbraw/zinc/34/40/12/1311344012.db2.gz OJMCRPMGLRVPNY-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103099510 1311344015 /nfs/dbraw/zinc/34/40/15/1311344015.db2.gz OJMCRPMGLRVPNY-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103099510 1311344019 /nfs/dbraw/zinc/34/40/19/1311344019.db2.gz OJMCRPMGLRVPNY-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224216068 1311361873 /nfs/dbraw/zinc/36/18/73/1311361873.db2.gz YNLXPGZZMTUYOS-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224560599 1311407221 /nfs/dbraw/zinc/40/72/21/1311407221.db2.gz WMJGPBMVOKRIHF-LJQANCHMSA-N 2 1 339.499 2.603 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)C)CC1 ZINC001158913965 1311415637 /nfs/dbraw/zinc/41/56/37/1311415637.db2.gz IAQJEKWYCPVPJK-HXUWFJFHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913789 1311415706 /nfs/dbraw/zinc/41/57/06/1311415706.db2.gz DFVODYCSZOYHER-HXUWFJFHSA-N 2 1 341.499 2.698 20 30 EFEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949200 1311422693 /nfs/dbraw/zinc/42/26/93/1311422693.db2.gz GJLVEEBRVYWSOE-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949200 1311422694 /nfs/dbraw/zinc/42/26/94/1311422694.db2.gz GJLVEEBRVYWSOE-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158949200 1311422697 /nfs/dbraw/zinc/42/26/97/1311422697.db2.gz GJLVEEBRVYWSOE-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158949200 1311422700 /nfs/dbraw/zinc/42/27/00/1311422700.db2.gz GJLVEEBRVYWSOE-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740040 1311429572 /nfs/dbraw/zinc/42/95/72/1311429572.db2.gz WKJRBOQDQPFZMX-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225142869 1311481880 /nfs/dbraw/zinc/48/18/80/1311481880.db2.gz QQMHONFLOVEDFO-HXUWFJFHSA-N 2 1 341.499 2.531 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225167867 1311485341 /nfs/dbraw/zinc/48/53/41/1311485341.db2.gz DMPYMLJBDXBXBX-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225653402 1311560300 /nfs/dbraw/zinc/56/03/00/1311560300.db2.gz VPLODDAIABLMLH-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225653402 1311560302 /nfs/dbraw/zinc/56/03/02/1311560302.db2.gz VPLODDAIABLMLH-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226333301 1311650276 /nfs/dbraw/zinc/65/02/76/1311650276.db2.gz GWTNWLOUNRWERE-GVDBMIGSSA-N 2 1 332.492 2.990 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131471 1311650973 /nfs/dbraw/zinc/65/09/73/1311650973.db2.gz MZQNWQTVGNLFCY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131471 1311650974 /nfs/dbraw/zinc/65/09/74/1311650974.db2.gz MZQNWQTVGNLFCY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131471 1311650976 /nfs/dbraw/zinc/65/09/76/1311650976.db2.gz MZQNWQTVGNLFCY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169210 1311659007 /nfs/dbraw/zinc/65/90/07/1311659007.db2.gz LEDKKQLXFPXPBP-INIZCTEOSA-N 2 1 330.476 2.721 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169210 1311659008 /nfs/dbraw/zinc/65/90/08/1311659008.db2.gz LEDKKQLXFPXPBP-INIZCTEOSA-N 2 1 330.476 2.721 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001160209216 1311665228 /nfs/dbraw/zinc/66/52/28/1311665228.db2.gz DHWHWSJCBCYUAH-QUCCMNQESA-N 2 1 341.499 2.558 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001160209216 1311665231 /nfs/dbraw/zinc/66/52/31/1311665231.db2.gz DHWHWSJCBCYUAH-QUCCMNQESA-N 2 1 341.499 2.558 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001160209342 1311665478 /nfs/dbraw/zinc/66/54/78/1311665478.db2.gz IORGPOKQEHVOKB-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001160209342 1311665479 /nfs/dbraw/zinc/66/54/79/1311665479.db2.gz IORGPOKQEHVOKB-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160351964 1311695322 /nfs/dbraw/zinc/69/53/22/1311695322.db2.gz ACOFGLAXYJBCEK-SFHVURJKSA-N 2 1 342.487 2.865 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160351964 1311695325 /nfs/dbraw/zinc/69/53/25/1311695325.db2.gz ACOFGLAXYJBCEK-SFHVURJKSA-N 2 1 342.487 2.865 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359923 1311696280 /nfs/dbraw/zinc/69/62/80/1311696280.db2.gz GJQQJIQCVTXTCH-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359923 1311696284 /nfs/dbraw/zinc/69/62/84/1311696284.db2.gz GJQQJIQCVTXTCH-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359923 1311696287 /nfs/dbraw/zinc/69/62/87/1311696287.db2.gz GJQQJIQCVTXTCH-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+]([C@H](C)CCC=C)CC1 ZINC001160386232 1311701344 /nfs/dbraw/zinc/70/13/44/1311701344.db2.gz OKTQFDFYQJZOSO-QUCCMNQESA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H](C)CCC=C)CC1 ZINC001160386232 1311701347 /nfs/dbraw/zinc/70/13/47/1311701347.db2.gz OKTQFDFYQJZOSO-QUCCMNQESA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+]([C@H](C)CCC=C)CC1 ZINC001160386232 1311701350 /nfs/dbraw/zinc/70/13/50/1311701350.db2.gz OKTQFDFYQJZOSO-QUCCMNQESA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+]([C@H](C)CCC=C)CC1 ZINC001160386232 1311701353 /nfs/dbraw/zinc/70/13/53/1311701353.db2.gz OKTQFDFYQJZOSO-QUCCMNQESA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160386162 1311701775 /nfs/dbraw/zinc/70/17/75/1311701775.db2.gz KJNGDKFYXRXAGN-IBGZPJMESA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160386162 1311701780 /nfs/dbraw/zinc/70/17/80/1311701780.db2.gz KJNGDKFYXRXAGN-IBGZPJMESA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160386162 1311701782 /nfs/dbraw/zinc/70/17/82/1311701782.db2.gz KJNGDKFYXRXAGN-IBGZPJMESA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160386162 1311701785 /nfs/dbraw/zinc/70/17/85/1311701785.db2.gz KJNGDKFYXRXAGN-IBGZPJMESA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400453 1311703607 /nfs/dbraw/zinc/70/36/07/1311703607.db2.gz RHIXZFUOFSDQBF-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400453 1311703609 /nfs/dbraw/zinc/70/36/09/1311703609.db2.gz RHIXZFUOFSDQBF-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400453 1311703612 /nfs/dbraw/zinc/70/36/12/1311703612.db2.gz RHIXZFUOFSDQBF-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467249 1311716916 /nfs/dbraw/zinc/71/69/16/1311716916.db2.gz PUBVTIPQGVFYIO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160467249 1311716919 /nfs/dbraw/zinc/71/69/19/1311716919.db2.gz PUBVTIPQGVFYIO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160467249 1311716924 /nfs/dbraw/zinc/71/69/24/1311716924.db2.gz PUBVTIPQGVFYIO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226767176 1311720038 /nfs/dbraw/zinc/72/00/38/1311720038.db2.gz SMJJRXAMXVJQIL-IPMKNSEASA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499773 1311723171 /nfs/dbraw/zinc/72/31/71/1311723171.db2.gz ICMVVAQXJXVLCD-MJGOQNOKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499773 1311723172 /nfs/dbraw/zinc/72/31/72/1311723172.db2.gz ICMVVAQXJXVLCD-MJGOQNOKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499773 1311723175 /nfs/dbraw/zinc/72/31/75/1311723175.db2.gz ICMVVAQXJXVLCD-MJGOQNOKSA-N 2 1 333.520 2.964 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCC ZINC001226860975 1311734098 /nfs/dbraw/zinc/73/40/98/1311734098.db2.gz XERJLSMXOCZTDX-QRVBRYPASA-N 2 1 333.520 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCC ZINC001226860975 1311734100 /nfs/dbraw/zinc/73/41/00/1311734100.db2.gz XERJLSMXOCZTDX-QRVBRYPASA-N 2 1 333.520 2.681 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226860922 1311734163 /nfs/dbraw/zinc/73/41/63/1311734163.db2.gz UQGCHPXLRCVUKJ-KURKYZTESA-N 2 1 333.520 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226860922 1311734166 /nfs/dbraw/zinc/73/41/66/1311734166.db2.gz UQGCHPXLRCVUKJ-KURKYZTESA-N 2 1 333.520 2.537 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559703 1311736947 /nfs/dbraw/zinc/73/69/47/1311736947.db2.gz OLUUTLSDHUSSHY-UHFFFAOYSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559703 1311736948 /nfs/dbraw/zinc/73/69/48/1311736948.db2.gz OLUUTLSDHUSSHY-UHFFFAOYSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559703 1311736949 /nfs/dbraw/zinc/73/69/49/1311736949.db2.gz OLUUTLSDHUSSHY-UHFFFAOYSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160810660 1311786594 /nfs/dbraw/zinc/78/65/94/1311786594.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160810660 1311786597 /nfs/dbraw/zinc/78/65/97/1311786597.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160810660 1311786601 /nfs/dbraw/zinc/78/66/01/1311786601.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856809 1311798111 /nfs/dbraw/zinc/79/81/11/1311798111.db2.gz RGEDFBBAQJWJLW-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020163 1311838851 /nfs/dbraw/zinc/83/88/51/1311838851.db2.gz DSSPPLQSOSGUBZ-QGZVFWFLSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532218 1311870318 /nfs/dbraw/zinc/87/03/18/1311870318.db2.gz VYWTZHZPVMFQAZ-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532218 1311870321 /nfs/dbraw/zinc/87/03/21/1311870321.db2.gz VYWTZHZPVMFQAZ-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532218 1311870324 /nfs/dbraw/zinc/87/03/24/1311870324.db2.gz VYWTZHZPVMFQAZ-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383037 1311874663 /nfs/dbraw/zinc/87/46/63/1311874663.db2.gz GAHDXPPYMBRROU-SFHVURJKSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444239 1311890888 /nfs/dbraw/zinc/89/08/88/1311890888.db2.gz AEVGPEODKPMRMC-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444239 1311890890 /nfs/dbraw/zinc/89/08/90/1311890890.db2.gz AEVGPEODKPMRMC-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444239 1311890893 /nfs/dbraw/zinc/89/08/93/1311890893.db2.gz AEVGPEODKPMRMC-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465408 1311894928 /nfs/dbraw/zinc/89/49/28/1311894928.db2.gz MPHPYAGLTRWQCD-UHFFFAOYSA-N 2 1 330.476 2.686 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465408 1311894931 /nfs/dbraw/zinc/89/49/31/1311894931.db2.gz MPHPYAGLTRWQCD-UHFFFAOYSA-N 2 1 330.476 2.686 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048561784 1311907415 /nfs/dbraw/zinc/90/74/15/1311907415.db2.gz FKVXMQHQIJDNMV-FQBWVUSXSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048561784 1311907417 /nfs/dbraw/zinc/90/74/17/1311907417.db2.gz FKVXMQHQIJDNMV-FQBWVUSXSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048561784 1311907421 /nfs/dbraw/zinc/90/74/21/1311907421.db2.gz FKVXMQHQIJDNMV-FQBWVUSXSA-N 2 1 333.520 2.510 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001228151458 1311908112 /nfs/dbraw/zinc/90/81/12/1311908112.db2.gz VGBDLVZWBWOHGL-AQNXPRMDSA-N 2 1 345.531 2.824 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572230 1311919798 /nfs/dbraw/zinc/91/97/98/1311919798.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 2 1 345.531 2.632 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572230 1311919801 /nfs/dbraw/zinc/91/98/01/1311919801.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 2 1 345.531 2.632 20 30 EFEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572230 1311919805 /nfs/dbraw/zinc/91/98/05/1311919805.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 2 1 345.531 2.632 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704695 1311955270 /nfs/dbraw/zinc/95/52/70/1311955270.db2.gz GFAKQNKPXODZKM-RTBURBONSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893876 1311997220 /nfs/dbraw/zinc/99/72/20/1311997220.db2.gz TTWVHLXBSXSEIF-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161951994 1312011435 /nfs/dbraw/zinc/01/14/35/1312011435.db2.gz ABXNYKJKSAANDS-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952334 1312011783 /nfs/dbraw/zinc/01/17/83/1312011783.db2.gz GPAILPUFEAJGJT-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952975 1312012513 /nfs/dbraw/zinc/01/25/13/1312012513.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952975 1312012517 /nfs/dbraw/zinc/01/25/17/1312012517.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952975 1312012521 /nfs/dbraw/zinc/01/25/21/1312012521.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229110071 1312049752 /nfs/dbraw/zinc/04/97/52/1312049752.db2.gz MYFPMPDNNSUBSD-HZPDHXFCSA-N 2 1 338.883 2.741 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001229615523 1312120164 /nfs/dbraw/zinc/12/01/64/1312120164.db2.gz NSFYULUXWDNGDT-GUDVDZBRSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048821420 1312165297 /nfs/dbraw/zinc/16/52/97/1312165297.db2.gz ZLOHXJCRPCVIMW-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017540 1312171797 /nfs/dbraw/zinc/17/17/97/1312171797.db2.gz ZXXYLQNASJIHOI-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001162928832 1312206101 /nfs/dbraw/zinc/20/61/01/1312206101.db2.gz OYZYSYXVLSTAHX-LJQANCHMSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286109 1312215028 /nfs/dbraw/zinc/21/50/28/1312215028.db2.gz ARCKBJOJASAIOD-QRVBRYPASA-N 2 1 329.488 2.882 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977154 1312216725 /nfs/dbraw/zinc/21/67/25/1312216725.db2.gz HUFOKQIDTFTYGB-UHFFFAOYSA-N 2 1 331.504 2.565 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001162982831 1312218390 /nfs/dbraw/zinc/21/83/90/1312218390.db2.gz QYUGCRZRYFNDLB-HXUWFJFHSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987697 1312219730 /nfs/dbraw/zinc/21/97/30/1312219730.db2.gz USFBYFZDQOJWND-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230360144 1312229069 /nfs/dbraw/zinc/22/90/69/1312229069.db2.gz RNMYCFIHAIGGDW-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081933 1312237083 /nfs/dbraw/zinc/23/70/83/1312237083.db2.gz NXFYWGOPUXELMD-RTBURBONSA-N 2 1 327.472 2.800 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230537375 1312259855 /nfs/dbraw/zinc/25/98/55/1312259855.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537375 1312259858 /nfs/dbraw/zinc/25/98/58/1312259858.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537375 1312259860 /nfs/dbraw/zinc/25/98/60/1312259860.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610634 1312282089 /nfs/dbraw/zinc/28/20/89/1312282089.db2.gz FPYMELNDSLMVKR-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618445 1312286340 /nfs/dbraw/zinc/28/63/40/1312286340.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618445 1312286344 /nfs/dbraw/zinc/28/63/44/1312286344.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618445 1312286348 /nfs/dbraw/zinc/28/63/48/1312286348.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230621834 1312287988 /nfs/dbraw/zinc/28/79/88/1312287988.db2.gz HPPNFQMKJROIDR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230621834 1312287992 /nfs/dbraw/zinc/28/79/92/1312287992.db2.gz HPPNFQMKJROIDR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230621834 1312287995 /nfs/dbraw/zinc/28/79/95/1312287995.db2.gz HPPNFQMKJROIDR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783421 1312341537 /nfs/dbraw/zinc/34/15/37/1312341537.db2.gz IPTPWSUADLYDGI-LJQANCHMSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230784042 1312342397 /nfs/dbraw/zinc/34/23/97/1312342397.db2.gz WCXJJHLNTIZCLO-LJQANCHMSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829300 1312360851 /nfs/dbraw/zinc/36/08/51/1312360851.db2.gz DXXWQBQJPPXVII-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835675 1312363195 /nfs/dbraw/zinc/36/31/95/1312363195.db2.gz RAURCBSHWQIEAJ-SFHVURJKSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCC[NH+](CCCNC(=O)CC[N@H+](C)CCC)Cc1cccnc1 ZINC001230907035 1312388045 /nfs/dbraw/zinc/38/80/45/1312388045.db2.gz ZJXSSQVMPDNHGD-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCC[N@@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230907035 1312388049 /nfs/dbraw/zinc/38/80/49/1312388049.db2.gz ZJXSSQVMPDNHGD-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCC[N@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230907035 1312388053 /nfs/dbraw/zinc/38/80/53/1312388053.db2.gz ZJXSSQVMPDNHGD-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001231655606 1312541656 /nfs/dbraw/zinc/54/16/56/1312541656.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1 ZINC001231655606 1312541658 /nfs/dbraw/zinc/54/16/58/1312541658.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001231655606 1312541661 /nfs/dbraw/zinc/54/16/61/1312541661.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)c1 ZINC001231655606 1312541663 /nfs/dbraw/zinc/54/16/63/1312541663.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)c1 ZINC001231655606 1312541666 /nfs/dbraw/zinc/54/16/66/1312541666.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001231655607 1312541713 /nfs/dbraw/zinc/54/17/13/1312541713.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001231655607 1312541716 /nfs/dbraw/zinc/54/17/16/1312541716.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001231655607 1312541719 /nfs/dbraw/zinc/54/17/19/1312541719.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)c1 ZINC001231655607 1312541722 /nfs/dbraw/zinc/54/17/22/1312541722.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)c1 ZINC001231655607 1312541723 /nfs/dbraw/zinc/54/17/23/1312541723.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP COC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277584604 1312584378 /nfs/dbraw/zinc/58/43/78/1312584378.db2.gz LUFULNSLECGEJA-UHFFFAOYSA-N 2 1 344.503 2.610 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860882 1314428605 /nfs/dbraw/zinc/42/86/05/1314428605.db2.gz YYKOFOABLCVDPB-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860882 1314428608 /nfs/dbraw/zinc/42/86/08/1314428608.db2.gz YYKOFOABLCVDPB-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952012 1314511230 /nfs/dbraw/zinc/51/12/30/1314511230.db2.gz AEGLJKSSCUPWPU-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958828 1314518261 /nfs/dbraw/zinc/51/82/61/1314518261.db2.gz PQTMOTYGRIWHPL-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967412 1314525358 /nfs/dbraw/zinc/52/53/58/1314525358.db2.gz HZGVPRPXCNBQOF-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC[NH3+] ZINC001245977174 1314558683 /nfs/dbraw/zinc/55/86/83/1314558683.db2.gz WKUMNNAFMUQQRG-LJQANCHMSA-N 2 1 346.556 2.850 20 30 EFEDMP C#CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001246046895 1314573506 /nfs/dbraw/zinc/57/35/06/1314573506.db2.gz UKTUASYVKHSNGG-BHDDXSALSA-N 2 1 334.463 2.540 20 30 EFEDMP C#CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001246046895 1314573509 /nfs/dbraw/zinc/57/35/09/1314573509.db2.gz UKTUASYVKHSNGG-BHDDXSALSA-N 2 1 334.463 2.540 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246068727 1314579096 /nfs/dbraw/zinc/57/90/96/1314579096.db2.gz JXLXDKRVPGXCPK-IBGZPJMESA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001246302976 1314607401 /nfs/dbraw/zinc/60/74/01/1314607401.db2.gz FZRKWQZUSOVCRY-OALUTQOASA-N 2 1 330.472 2.669 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001246307186 1314608767 /nfs/dbraw/zinc/60/87/67/1314608767.db2.gz JZNBVCVPMZBTJY-FHWLQOOXSA-N 2 1 346.471 2.723 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001246305145 1314608775 /nfs/dbraw/zinc/60/87/75/1314608775.db2.gz GWZXVORKFIUWCR-MCIONIFRSA-N 2 1 336.398 2.924 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)cc(C#N)c21 ZINC001246330361 1314610623 /nfs/dbraw/zinc/61/06/23/1314610623.db2.gz YFUFUHNUTWBYSG-CKFHNAJUSA-N 2 1 338.455 2.834 20 30 EFEDMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443376 1314629911 /nfs/dbraw/zinc/62/99/11/1314629911.db2.gz SJMGWABCKWSIDV-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047039 1314631976 /nfs/dbraw/zinc/63/19/76/1314631976.db2.gz OZDCVVIYWTVHEY-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047042 1314632064 /nfs/dbraw/zinc/63/20/64/1314632064.db2.gz OZDCVVIYWTVHEY-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246525364 1314642353 /nfs/dbraw/zinc/64/23/53/1314642353.db2.gz JGNMPNIRCBBHQL-SJORKVTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC001246526812 1314642465 /nfs/dbraw/zinc/64/24/65/1314642465.db2.gz RMKCGXKKKNFMJP-DLBZAZTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC001246526812 1314642468 /nfs/dbraw/zinc/64/24/68/1314642468.db2.gz RMKCGXKKKNFMJP-DLBZAZTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053126 1314642459 /nfs/dbraw/zinc/64/24/59/1314642459.db2.gz YWVJQBJDZMXYSO-RBUKOAKNSA-N 2 1 345.531 2.609 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@](O)(C[NH3+])CC3)CC2)cc1 ZINC001246540409 1314645068 /nfs/dbraw/zinc/64/50/68/1314645068.db2.gz DVVRWEXYYMGVHL-SOAGJPPSSA-N 2 1 327.472 2.760 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCCC[C@](O)(C[NH3+])C3)CC2)cc1 ZINC001246561674 1314649057 /nfs/dbraw/zinc/64/90/57/1314649057.db2.gz SATRLLMSSSOKHG-MHJFOBGBSA-N 2 1 327.472 2.760 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@@H]2CC ZINC001246757437 1314678152 /nfs/dbraw/zinc/67/81/52/1314678152.db2.gz ITWHXTDIFMSZHP-BISRIHTFSA-N 2 1 331.504 2.691 20 30 EFEDMP CC[C@@H]1CC([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246889098 1314703713 /nfs/dbraw/zinc/70/37/13/1314703713.db2.gz DCJAVESCWHXYGG-QZTJIDSGSA-N 2 1 326.488 2.989 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093374 1314704620 /nfs/dbraw/zinc/70/46/20/1314704620.db2.gz XXCYGIVHPAYOPN-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093374 1314704621 /nfs/dbraw/zinc/70/46/21/1314704621.db2.gz XXCYGIVHPAYOPN-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094577 1314706389 /nfs/dbraw/zinc/70/63/89/1314706389.db2.gz GBNKHCYEHCKKHH-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C#N)C2)c1 ZINC001246972865 1314719366 /nfs/dbraw/zinc/71/93/66/1314719366.db2.gz JWPJDLLTFDYAFG-MUGJNUQGSA-N 2 1 326.488 2.711 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661946 1314722636 /nfs/dbraw/zinc/72/26/36/1314722636.db2.gz MAVAUOPUMYOIQC-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006145 1314730078 /nfs/dbraw/zinc/73/00/78/1314730078.db2.gz TXNLXTHIIAYXRB-IRXDYDNUSA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006145 1314730082 /nfs/dbraw/zinc/73/00/82/1314730082.db2.gz TXNLXTHIIAYXRB-IRXDYDNUSA-N 2 1 335.492 2.818 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3CCC4(C[NH2+]C4)[C@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001247009194 1314730170 /nfs/dbraw/zinc/73/01/70/1314730170.db2.gz PMNNBWWNKCMCOR-WFFDWFOESA-N 2 1 332.488 2.596 20 30 EFEDMP N#Cc1cccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904488 1314863969 /nfs/dbraw/zinc/86/39/69/1314863969.db2.gz HFEWNMOGQFMVQN-INIZCTEOSA-N 2 1 337.427 2.540 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934278 1314893050 /nfs/dbraw/zinc/89/30/50/1314893050.db2.gz LUNXICBJOUMIRD-SOLBZPMBSA-N 2 1 332.492 2.763 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851014 1315015847 /nfs/dbraw/zinc/01/58/47/1315015847.db2.gz YATJYEPRRNCHCY-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038624008 1315049107 /nfs/dbraw/zinc/04/91/07/1315049107.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624008 1315049112 /nfs/dbraw/zinc/04/91/12/1315049112.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624008 1315049117 /nfs/dbraw/zinc/04/91/17/1315049117.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001054035776 1315198352 /nfs/dbraw/zinc/19/83/52/1315198352.db2.gz UVTUUNPZTPUTOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035776 1315198356 /nfs/dbraw/zinc/19/83/56/1315198356.db2.gz UVTUUNPZTPUTOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035776 1315198358 /nfs/dbraw/zinc/19/83/58/1315198358.db2.gz UVTUUNPZTPUTOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129237 1315337598 /nfs/dbraw/zinc/33/75/98/1315337598.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129237 1315337601 /nfs/dbraw/zinc/33/76/01/1315337601.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129237 1315337604 /nfs/dbraw/zinc/33/76/04/1315337604.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054140788 1315355806 /nfs/dbraw/zinc/35/58/06/1315355806.db2.gz ZGTRATFEVSKQJH-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054140788 1315355809 /nfs/dbraw/zinc/35/58/09/1315355809.db2.gz ZGTRATFEVSKQJH-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054140788 1315355811 /nfs/dbraw/zinc/35/58/11/1315355811.db2.gz ZGTRATFEVSKQJH-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143711 1315361028 /nfs/dbraw/zinc/36/10/28/1315361028.db2.gz IMVCUTNRWMHPHM-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054152823 1315377553 /nfs/dbraw/zinc/37/75/53/1315377553.db2.gz HNOOIBFMZZUQIJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054152823 1315377559 /nfs/dbraw/zinc/37/75/59/1315377559.db2.gz HNOOIBFMZZUQIJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054152823 1315377563 /nfs/dbraw/zinc/37/75/63/1315377563.db2.gz HNOOIBFMZZUQIJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160117 1315387999 /nfs/dbraw/zinc/38/79/99/1315387999.db2.gz WBBUBSKHSBRMPH-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185235 1315426545 /nfs/dbraw/zinc/42/65/45/1315426545.db2.gz WFFWACXGJJLHSY-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185235 1315426550 /nfs/dbraw/zinc/42/65/50/1315426550.db2.gz WFFWACXGJJLHSY-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185235 1315426553 /nfs/dbraw/zinc/42/65/53/1315426553.db2.gz WFFWACXGJJLHSY-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198009 1315443174 /nfs/dbraw/zinc/44/31/74/1315443174.db2.gz NIYRXRPYROZKPO-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198009 1315443177 /nfs/dbraw/zinc/44/31/77/1315443177.db2.gz NIYRXRPYROZKPO-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198009 1315443179 /nfs/dbraw/zinc/44/31/79/1315443179.db2.gz NIYRXRPYROZKPO-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001252466192 1315452998 /nfs/dbraw/zinc/45/29/98/1315452998.db2.gz NJIFXVNYSOLVFL-SEVLPDGMSA-N 2 1 344.499 2.660 20 30 EFEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252466192 1315453002 /nfs/dbraw/zinc/45/30/02/1315453002.db2.gz NJIFXVNYSOLVFL-SEVLPDGMSA-N 2 1 344.499 2.660 20 30 EFEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252466192 1315453006 /nfs/dbraw/zinc/45/30/06/1315453006.db2.gz NJIFXVNYSOLVFL-SEVLPDGMSA-N 2 1 344.499 2.660 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205018 1315454302 /nfs/dbraw/zinc/45/43/02/1315454302.db2.gz IRGGAZDCPONWAN-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205018 1315454307 /nfs/dbraw/zinc/45/43/07/1315454307.db2.gz IRGGAZDCPONWAN-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209010 1315458811 /nfs/dbraw/zinc/45/88/11/1315458811.db2.gz GHTCOSFIGUZQAQ-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209116 1315459240 /nfs/dbraw/zinc/45/92/40/1315459240.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209116 1315459244 /nfs/dbraw/zinc/45/92/44/1315459244.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209116 1315459247 /nfs/dbraw/zinc/45/92/47/1315459247.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209473 1315460255 /nfs/dbraw/zinc/46/02/55/1315460255.db2.gz QYQMCYOGXQDSSY-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001221010636 1315470518 /nfs/dbraw/zinc/47/05/18/1315470518.db2.gz MSQHVBGIEKVKJI-RXVVDRJESA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597198 1315473162 /nfs/dbraw/zinc/47/31/62/1315473162.db2.gz WDKKRBOUUPQCKV-ROUUACIJSA-N 2 1 348.487 2.662 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225843 1315483531 /nfs/dbraw/zinc/48/35/31/1315483531.db2.gz FZTGQAVVCHUHNJ-NRFANRHFSA-N 2 1 345.531 2.609 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226794 1315484797 /nfs/dbraw/zinc/48/47/97/1315484797.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226794 1315484802 /nfs/dbraw/zinc/48/48/02/1315484802.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226794 1315484804 /nfs/dbraw/zinc/48/48/04/1315484804.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227625 1315487207 /nfs/dbraw/zinc/48/72/07/1315487207.db2.gz JCBSFKREHZDJLU-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227625 1315487211 /nfs/dbraw/zinc/48/72/11/1315487211.db2.gz JCBSFKREHZDJLU-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134703 1315519777 /nfs/dbraw/zinc/51/97/77/1315519777.db2.gz UNPKJGUQIBOGGU-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039136404 1315521832 /nfs/dbraw/zinc/52/18/32/1315521832.db2.gz JOUXJMZUDLUXAG-VQTJNVASSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136404 1315521837 /nfs/dbraw/zinc/52/18/37/1315521837.db2.gz JOUXJMZUDLUXAG-VQTJNVASSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136404 1315521841 /nfs/dbraw/zinc/52/18/41/1315521841.db2.gz JOUXJMZUDLUXAG-VQTJNVASSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136568 1315522841 /nfs/dbraw/zinc/52/28/41/1315522841.db2.gz AFCHPUMLLFFOLH-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136568 1315522846 /nfs/dbraw/zinc/52/28/46/1315522846.db2.gz AFCHPUMLLFFOLH-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136568 1315522851 /nfs/dbraw/zinc/52/28/51/1315522851.db2.gz AFCHPUMLLFFOLH-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136605 1315522901 /nfs/dbraw/zinc/52/29/01/1315522901.db2.gz BEBGUCYNQDGSLT-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136605 1315522902 /nfs/dbraw/zinc/52/29/02/1315522902.db2.gz BEBGUCYNQDGSLT-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136605 1315522905 /nfs/dbraw/zinc/52/29/05/1315522905.db2.gz BEBGUCYNQDGSLT-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136564 1315522992 /nfs/dbraw/zinc/52/29/92/1315522992.db2.gz AFCHPUMLLFFOLH-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136564 1315522995 /nfs/dbraw/zinc/52/29/95/1315522995.db2.gz AFCHPUMLLFFOLH-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136564 1315522998 /nfs/dbraw/zinc/52/29/98/1315522998.db2.gz AFCHPUMLLFFOLH-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136606 1315523285 /nfs/dbraw/zinc/52/32/85/1315523285.db2.gz BEBGUCYNQDGSLT-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136606 1315523287 /nfs/dbraw/zinc/52/32/87/1315523287.db2.gz BEBGUCYNQDGSLT-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136606 1315523294 /nfs/dbraw/zinc/52/32/94/1315523294.db2.gz BEBGUCYNQDGSLT-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137406 1315523691 /nfs/dbraw/zinc/52/36/91/1315523691.db2.gz NVGFQTNODGBDAC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140793 1315530141 /nfs/dbraw/zinc/53/01/41/1315530141.db2.gz JPUSSIUBIWGPST-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140793 1315530147 /nfs/dbraw/zinc/53/01/47/1315530147.db2.gz JPUSSIUBIWGPST-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140793 1315530151 /nfs/dbraw/zinc/53/01/51/1315530151.db2.gz JPUSSIUBIWGPST-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141010 1315531235 /nfs/dbraw/zinc/53/12/35/1315531235.db2.gz NAZAIVWWFGGHIH-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141010 1315531239 /nfs/dbraw/zinc/53/12/39/1315531239.db2.gz NAZAIVWWFGGHIH-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141010 1315531243 /nfs/dbraw/zinc/53/12/43/1315531243.db2.gz NAZAIVWWFGGHIH-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039143971 1315535758 /nfs/dbraw/zinc/53/57/58/1315535758.db2.gz DXPYVXLOSWXGOJ-KRWDZBQOSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560954 1315551616 /nfs/dbraw/zinc/55/16/16/1315551616.db2.gz QORHXLBQOOFLPE-NCXUSEDFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560954 1315551618 /nfs/dbraw/zinc/55/16/18/1315551618.db2.gz QORHXLBQOOFLPE-NCXUSEDFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560954 1315551621 /nfs/dbraw/zinc/55/16/21/1315551621.db2.gz QORHXLBQOOFLPE-NCXUSEDFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562275 /nfs/dbraw/zinc/56/22/75/1315562275.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562279 /nfs/dbraw/zinc/56/22/79/1315562279.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562282 /nfs/dbraw/zinc/56/22/82/1315562282.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221616598 1315564281 /nfs/dbraw/zinc/56/42/81/1315564281.db2.gz QUVRPQDUDWKRSO-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616598 1315564283 /nfs/dbraw/zinc/56/42/83/1315564283.db2.gz QUVRPQDUDWKRSO-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616598 1315564287 /nfs/dbraw/zinc/56/42/87/1315564287.db2.gz QUVRPQDUDWKRSO-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616923 1315564577 /nfs/dbraw/zinc/56/45/77/1315564577.db2.gz WIQDPXHDSCQFJR-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165299 1315565264 /nfs/dbraw/zinc/56/52/64/1315565264.db2.gz MDMXANJUPZDYQR-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001039170229 1315574309 /nfs/dbraw/zinc/57/43/09/1315574309.db2.gz NJSLCRGGQKAWMN-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)C1 ZINC001039170229 1315574311 /nfs/dbraw/zinc/57/43/11/1315574311.db2.gz NJSLCRGGQKAWMN-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)C1 ZINC001039170229 1315574313 /nfs/dbraw/zinc/57/43/13/1315574313.db2.gz NJSLCRGGQKAWMN-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1C#N ZINC001278701208 1315576279 /nfs/dbraw/zinc/57/62/79/1315576279.db2.gz UQJOICKCXOSAIE-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1C#N ZINC001278701208 1315576281 /nfs/dbraw/zinc/57/62/81/1315576281.db2.gz UQJOICKCXOSAIE-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1C#N ZINC001278701208 1315576284 /nfs/dbraw/zinc/57/62/84/1315576284.db2.gz UQJOICKCXOSAIE-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180348 1315587706 /nfs/dbraw/zinc/58/77/06/1315587706.db2.gz PJNBGQLSOPDVAX-MOPGFXCFSA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182028 1315589773 /nfs/dbraw/zinc/58/97/73/1315589773.db2.gz HNYSMAXKNFUJAF-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182028 1315589775 /nfs/dbraw/zinc/58/97/75/1315589775.db2.gz HNYSMAXKNFUJAF-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182028 1315589776 /nfs/dbraw/zinc/58/97/76/1315589776.db2.gz HNYSMAXKNFUJAF-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204695 1315617346 /nfs/dbraw/zinc/61/73/46/1315617346.db2.gz AAJZIUOIENYCGV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204695 1315617347 /nfs/dbraw/zinc/61/73/47/1315617347.db2.gz AAJZIUOIENYCGV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204695 1315617349 /nfs/dbraw/zinc/61/73/49/1315617349.db2.gz AAJZIUOIENYCGV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225742 1315646448 /nfs/dbraw/zinc/64/64/48/1315646448.db2.gz QVUIFXIQHRPQRI-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233890 1315657702 /nfs/dbraw/zinc/65/77/02/1315657702.db2.gz FUQNMWUTYAZKPN-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235516 1315659852 /nfs/dbraw/zinc/65/98/52/1315659852.db2.gz XZMHZBNXGWHYDQ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235516 1315659855 /nfs/dbraw/zinc/65/98/55/1315659855.db2.gz XZMHZBNXGWHYDQ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235516 1315659858 /nfs/dbraw/zinc/65/98/58/1315659858.db2.gz XZMHZBNXGWHYDQ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243827 1315671970 /nfs/dbraw/zinc/67/19/70/1315671970.db2.gz WMCSSRCCGQXAKK-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243714 1315672586 /nfs/dbraw/zinc/67/25/86/1315672586.db2.gz VWCPLCDERGOJOP-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250285 1315681333 /nfs/dbraw/zinc/68/13/33/1315681333.db2.gz NKEDYVPNRQGSIX-MJGOQNOKSA-N 2 1 344.503 2.632 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250288 1315681626 /nfs/dbraw/zinc/68/16/26/1315681626.db2.gz NKEDYVPNRQGSIX-PKOBYXMFSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251154 1315682238 /nfs/dbraw/zinc/68/22/38/1315682238.db2.gz SZHTZLAQTLQDNN-WMZOPIPTSA-N 2 1 330.476 2.540 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256919 1315688000 /nfs/dbraw/zinc/68/80/00/1315688000.db2.gz OSVNPVJZBQHRNL-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256924 1315688058 /nfs/dbraw/zinc/68/80/58/1315688058.db2.gz OSVNPVJZBQHRNL-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256923 1315688252 /nfs/dbraw/zinc/68/82/52/1315688252.db2.gz OSVNPVJZBQHRNL-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039284212 1315701475 /nfs/dbraw/zinc/70/14/75/1315701475.db2.gz IJLWZDSWKOZSIL-JLYLLQBASA-N 2 1 345.531 2.774 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039286266 1315702093 /nfs/dbraw/zinc/70/20/93/1315702093.db2.gz LMYJZGVRZBILBC-HRVKUGKESA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039299223 1315707541 /nfs/dbraw/zinc/70/75/41/1315707541.db2.gz XHDLOZPRTMVNBB-MVCQKVDPSA-N 2 1 333.520 2.796 20 30 EFEDMP COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527984 1315719490 /nfs/dbraw/zinc/71/94/90/1315719490.db2.gz AGNFKZFZFGQGBO-QGZVFWFLSA-N 2 1 343.471 2.894 20 30 EFEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254647548 1315734672 /nfs/dbraw/zinc/73/46/72/1315734672.db2.gz DAAYZEZRLWJDNP-MJGOQNOKSA-N 2 1 327.472 2.984 20 30 EFEDMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254646887 1315734891 /nfs/dbraw/zinc/73/48/91/1315734891.db2.gz PSEDQFTUQBRKBD-CVEARBPZSA-N 2 1 338.496 2.505 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001001522704 1315735387 /nfs/dbraw/zinc/73/53/87/1315735387.db2.gz OWBTUGJEMCWXNF-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001522704 1315735390 /nfs/dbraw/zinc/73/53/90/1315735390.db2.gz OWBTUGJEMCWXNF-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384726 1315754441 /nfs/dbraw/zinc/75/44/41/1315754441.db2.gz KWKVDTYURBAUJE-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384726 1315754447 /nfs/dbraw/zinc/75/44/47/1315754447.db2.gz KWKVDTYURBAUJE-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384726 1315754450 /nfs/dbraw/zinc/75/44/50/1315754450.db2.gz KWKVDTYURBAUJE-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039387170 1315755984 /nfs/dbraw/zinc/75/59/84/1315755984.db2.gz WDLLTQKSVBVJQK-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387170 1315755985 /nfs/dbraw/zinc/75/59/85/1315755985.db2.gz WDLLTQKSVBVJQK-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387170 1315755988 /nfs/dbraw/zinc/75/59/88/1315755988.db2.gz WDLLTQKSVBVJQK-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039387171 1315756179 /nfs/dbraw/zinc/75/61/79/1315756179.db2.gz WDLLTQKSVBVJQK-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387171 1315756181 /nfs/dbraw/zinc/75/61/81/1315756181.db2.gz WDLLTQKSVBVJQK-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387171 1315756185 /nfs/dbraw/zinc/75/61/85/1315756185.db2.gz WDLLTQKSVBVJQK-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039386939 1315756424 /nfs/dbraw/zinc/75/64/24/1315756424.db2.gz LFYCHAJNEUQJFA-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386939 1315756427 /nfs/dbraw/zinc/75/64/27/1315756427.db2.gz LFYCHAJNEUQJFA-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039386939 1315756430 /nfs/dbraw/zinc/75/64/30/1315756430.db2.gz LFYCHAJNEUQJFA-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255110070 1315776969 /nfs/dbraw/zinc/77/69/69/1315776969.db2.gz YUKQGGYHWIRAJG-NRFANRHFSA-N 3 1 336.483 2.928 20 30 EFEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255110070 1315776973 /nfs/dbraw/zinc/77/69/73/1315776973.db2.gz YUKQGGYHWIRAJG-NRFANRHFSA-N 2 1 336.483 2.928 20 30 EFEDMP C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125959 1315779545 /nfs/dbraw/zinc/77/95/45/1315779545.db2.gz IQKNKPBMLAQMQU-REPLKXPHSA-N 2 1 328.456 2.891 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039424060 1315782470 /nfs/dbraw/zinc/78/24/70/1315782470.db2.gz ZHDTWVOAKFYRPH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424060 1315782473 /nfs/dbraw/zinc/78/24/73/1315782473.db2.gz ZHDTWVOAKFYRPH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424060 1315782477 /nfs/dbraw/zinc/78/24/77/1315782477.db2.gz ZHDTWVOAKFYRPH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP CC[C@H](CC#N)[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001255170190 1315786590 /nfs/dbraw/zinc/78/65/90/1315786590.db2.gz OYIVYNWPXMLDAN-UAFMIMERSA-N 2 1 349.519 2.659 20 30 EFEDMP CC[C@H](CC#N)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001255170190 1315786593 /nfs/dbraw/zinc/78/65/93/1315786593.db2.gz OYIVYNWPXMLDAN-UAFMIMERSA-N 2 1 349.519 2.659 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458488 1315805938 /nfs/dbraw/zinc/80/59/38/1315805938.db2.gz YLOQLRKLFIRUAS-UXHICEINSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474720 1315817386 /nfs/dbraw/zinc/81/73/86/1315817386.db2.gz WTBSKECIUZBNET-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255678452 1315857146 /nfs/dbraw/zinc/85/71/46/1315857146.db2.gz GPTOQUIKQLTZEF-LMWLFIIJSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678452 1315857150 /nfs/dbraw/zinc/85/71/50/1315857150.db2.gz GPTOQUIKQLTZEF-LMWLFIIJSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678452 1315857153 /nfs/dbraw/zinc/85/71/53/1315857153.db2.gz GPTOQUIKQLTZEF-LMWLFIIJSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001256202015 1315916275 /nfs/dbraw/zinc/91/62/75/1315916275.db2.gz RRHJYILIKIOVMM-UHFFFAOYSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCN(C(C)C)CC1)CC2 ZINC001257217075 1316048148 /nfs/dbraw/zinc/04/81/48/1316048148.db2.gz QZNDCEVUICMHTG-FQEVSTJZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257217075 1316048152 /nfs/dbraw/zinc/04/81/52/1316048152.db2.gz QZNDCEVUICMHTG-FQEVSTJZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257217075 1316048156 /nfs/dbraw/zinc/04/81/56/1316048156.db2.gz QZNDCEVUICMHTG-FQEVSTJZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCN(C(C)C)CC1)CC2 ZINC001257217077 1316048674 /nfs/dbraw/zinc/04/86/74/1316048674.db2.gz QZNDCEVUICMHTG-HXUWFJFHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257217077 1316048676 /nfs/dbraw/zinc/04/86/76/1316048676.db2.gz QZNDCEVUICMHTG-HXUWFJFHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257217077 1316048679 /nfs/dbraw/zinc/04/86/79/1316048679.db2.gz QZNDCEVUICMHTG-HXUWFJFHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C1C[C@@H]2CC([NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)C[C@H](C1)C2 ZINC001257895714 1316101779 /nfs/dbraw/zinc/10/17/79/1316101779.db2.gz ZAKIIYHZKIHRSS-UFRUDQCGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202096 1316140191 /nfs/dbraw/zinc/14/01/91/1316140191.db2.gz PRIGENCCCRXKSO-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202096 1316140193 /nfs/dbraw/zinc/14/01/93/1316140193.db2.gz PRIGENCCCRXKSO-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202096 1316140195 /nfs/dbraw/zinc/14/01/95/1316140195.db2.gz PRIGENCCCRXKSO-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209165 1316143817 /nfs/dbraw/zinc/14/38/17/1316143817.db2.gz GTIYZLFTXDFFFE-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209165 1316143822 /nfs/dbraw/zinc/14/38/22/1316143822.db2.gz GTIYZLFTXDFFFE-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209163 1316144221 /nfs/dbraw/zinc/14/42/21/1316144221.db2.gz GTIYZLFTXDFFFE-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209163 1316144223 /nfs/dbraw/zinc/14/42/23/1316144223.db2.gz GTIYZLFTXDFFFE-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240853 1316160913 /nfs/dbraw/zinc/16/09/13/1316160913.db2.gz KACNOSAEDALYEE-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240853 1316160915 /nfs/dbraw/zinc/16/09/15/1316160915.db2.gz KACNOSAEDALYEE-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240853 1316160918 /nfs/dbraw/zinc/16/09/18/1316160918.db2.gz KACNOSAEDALYEE-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241692 1316161316 /nfs/dbraw/zinc/16/13/16/1316161316.db2.gz RCSXMMOHIMXJJY-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241692 1316161317 /nfs/dbraw/zinc/16/13/17/1316161317.db2.gz RCSXMMOHIMXJJY-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241692 1316161319 /nfs/dbraw/zinc/16/13/19/1316161319.db2.gz RCSXMMOHIMXJJY-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241689 1316161486 /nfs/dbraw/zinc/16/14/86/1316161486.db2.gz RCSXMMOHIMXJJY-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241689 1316161489 /nfs/dbraw/zinc/16/14/89/1316161489.db2.gz RCSXMMOHIMXJJY-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241689 1316161491 /nfs/dbraw/zinc/16/14/91/1316161491.db2.gz RCSXMMOHIMXJJY-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244015 1316163377 /nfs/dbraw/zinc/16/33/77/1316163377.db2.gz FMLTWIIMBZHMHG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244015 1316163378 /nfs/dbraw/zinc/16/33/78/1316163378.db2.gz FMLTWIIMBZHMHG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244015 1316163382 /nfs/dbraw/zinc/16/33/82/1316163382.db2.gz FMLTWIIMBZHMHG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258717633 1316173093 /nfs/dbraw/zinc/17/30/93/1316173093.db2.gz VOUYHGJKZAVZLT-ZACQAIPSSA-N 2 1 337.508 2.872 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258717633 1316173095 /nfs/dbraw/zinc/17/30/95/1316173095.db2.gz VOUYHGJKZAVZLT-ZACQAIPSSA-N 2 1 337.508 2.872 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258727805 1316173832 /nfs/dbraw/zinc/17/38/32/1316173832.db2.gz IUNCLXRNEXFMKF-RDGPPVDQSA-N 2 1 331.508 2.806 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258727805 1316173834 /nfs/dbraw/zinc/17/38/34/1316173834.db2.gz IUNCLXRNEXFMKF-RDGPPVDQSA-N 2 1 331.508 2.806 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258727805 1316173836 /nfs/dbraw/zinc/17/38/36/1316173836.db2.gz IUNCLXRNEXFMKF-RDGPPVDQSA-N 2 1 331.508 2.806 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258727984 1316173865 /nfs/dbraw/zinc/17/38/65/1316173865.db2.gz KFNYOVXOKFVAKC-VAMGGRTRSA-N 2 1 335.536 2.602 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258727984 1316173869 /nfs/dbraw/zinc/17/38/69/1316173869.db2.gz KFNYOVXOKFVAKC-VAMGGRTRSA-N 2 1 335.536 2.602 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258727984 1316173871 /nfs/dbraw/zinc/17/38/71/1316173871.db2.gz KFNYOVXOKFVAKC-VAMGGRTRSA-N 2 1 335.536 2.602 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264576 1316174147 /nfs/dbraw/zinc/17/41/47/1316174147.db2.gz PQUGKGTVNPTCEV-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264576 1316174150 /nfs/dbraw/zinc/17/41/50/1316174150.db2.gz PQUGKGTVNPTCEV-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264576 1316174151 /nfs/dbraw/zinc/17/41/51/1316174151.db2.gz PQUGKGTVNPTCEV-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275251 1316178894 /nfs/dbraw/zinc/17/88/94/1316178894.db2.gz JUZCXHJIMAMWOW-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275251 1316178895 /nfs/dbraw/zinc/17/88/95/1316178895.db2.gz JUZCXHJIMAMWOW-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275251 1316178896 /nfs/dbraw/zinc/17/88/96/1316178896.db2.gz JUZCXHJIMAMWOW-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276608 1316179736 /nfs/dbraw/zinc/17/97/36/1316179736.db2.gz NXENVYXGZASKRP-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276608 1316179737 /nfs/dbraw/zinc/17/97/37/1316179737.db2.gz NXENVYXGZASKRP-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276608 1316179739 /nfs/dbraw/zinc/17/97/39/1316179739.db2.gz NXENVYXGZASKRP-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422726 1316255500 /nfs/dbraw/zinc/25/55/00/1316255500.db2.gz NTQOXXVYBPVPBW-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422726 1316255502 /nfs/dbraw/zinc/25/55/02/1316255502.db2.gz NTQOXXVYBPVPBW-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040433180 1316263673 /nfs/dbraw/zinc/26/36/73/1316263673.db2.gz UHQZPBRIZHTYIW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464489 1316280699 /nfs/dbraw/zinc/28/06/99/1316280699.db2.gz NFVRFYAYAFZVKT-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493311 1316292888 /nfs/dbraw/zinc/29/28/88/1316292888.db2.gz KBQYOGODSZVGFP-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493311 1316292891 /nfs/dbraw/zinc/29/28/91/1316292891.db2.gz KBQYOGODSZVGFP-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726597 1316360643 /nfs/dbraw/zinc/36/06/43/1316360643.db2.gz LUQMNEHGLGUAGQ-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040728109 1316361351 /nfs/dbraw/zinc/36/13/51/1316361351.db2.gz ZKPVZNJHOJTICI-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040728112 1316361522 /nfs/dbraw/zinc/36/15/22/1316361522.db2.gz ZKPVZNJHOJTICI-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733199 1316362872 /nfs/dbraw/zinc/36/28/72/1316362872.db2.gz QEJREQZTTUPOHC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746079 1316365746 /nfs/dbraw/zinc/36/57/46/1316365746.db2.gz VNSVYTPFGSUEKM-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757017 1316368388 /nfs/dbraw/zinc/36/83/88/1316368388.db2.gz LPGSNOCPKXWZGW-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882171 1316396408 /nfs/dbraw/zinc/39/64/08/1316396408.db2.gz ACSPWTZEVTULEW-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040883262 1316397214 /nfs/dbraw/zinc/39/72/14/1316397214.db2.gz MCNUCSMQPLZSEP-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040883263 1316397486 /nfs/dbraw/zinc/39/74/86/1316397486.db2.gz MCNUCSMQPLZSEP-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040883265 1316397600 /nfs/dbraw/zinc/39/76/00/1316397600.db2.gz MCNUCSMQPLZSEP-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947683 1316409450 /nfs/dbraw/zinc/40/94/50/1316409450.db2.gz AOVLABHBJGQKBD-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953581 1316410184 /nfs/dbraw/zinc/41/01/84/1316410184.db2.gz PQXLBHFCHIRGSF-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886266 1316419853 /nfs/dbraw/zinc/41/98/53/1316419853.db2.gz MNZSYARWVCVMEY-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886266 1316419857 /nfs/dbraw/zinc/41/98/57/1316419857.db2.gz MNZSYARWVCVMEY-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886266 1316419860 /nfs/dbraw/zinc/41/98/60/1316419860.db2.gz MNZSYARWVCVMEY-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059624 1316433265 /nfs/dbraw/zinc/43/32/65/1316433265.db2.gz NNUQZAUUNYJOGH-UHFFFAOYSA-N 2 1 347.890 2.649 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059624 1316433268 /nfs/dbraw/zinc/43/32/68/1316433268.db2.gz NNUQZAUUNYJOGH-UHFFFAOYSA-N 2 1 347.890 2.649 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339710 1316520103 /nfs/dbraw/zinc/52/01/03/1316520103.db2.gz PYKHAIWZMWLZJC-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339710 1316520106 /nfs/dbraw/zinc/52/01/06/1316520106.db2.gz PYKHAIWZMWLZJC-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339710 1316520110 /nfs/dbraw/zinc/52/01/10/1316520110.db2.gz PYKHAIWZMWLZJC-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339710 1316520113 /nfs/dbraw/zinc/52/01/13/1316520113.db2.gz PYKHAIWZMWLZJC-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358457 1316527382 /nfs/dbraw/zinc/52/73/82/1316527382.db2.gz OKILEMNAPUHEPV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358457 1316527386 /nfs/dbraw/zinc/52/73/86/1316527386.db2.gz OKILEMNAPUHEPV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358457 1316527390 /nfs/dbraw/zinc/52/73/90/1316527390.db2.gz OKILEMNAPUHEPV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358458 1316527395 /nfs/dbraw/zinc/52/73/95/1316527395.db2.gz OKILEMNAPUHEPV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358458 1316527397 /nfs/dbraw/zinc/52/73/97/1316527397.db2.gz OKILEMNAPUHEPV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358458 1316527401 /nfs/dbraw/zinc/52/74/01/1316527401.db2.gz OKILEMNAPUHEPV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041444627 1316553535 /nfs/dbraw/zinc/55/35/35/1316553535.db2.gz CTTCVCGPKQUHQM-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587832 1316609746 /nfs/dbraw/zinc/60/97/46/1316609746.db2.gz SOAWDIKJFXRUPJ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587832 1316609748 /nfs/dbraw/zinc/60/97/48/1316609748.db2.gz SOAWDIKJFXRUPJ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587832 1316609751 /nfs/dbraw/zinc/60/97/51/1316609751.db2.gz SOAWDIKJFXRUPJ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587811 1316609862 /nfs/dbraw/zinc/60/98/62/1316609862.db2.gz SIOIVEJVJNHVDX-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587811 1316609866 /nfs/dbraw/zinc/60/98/66/1316609866.db2.gz SIOIVEJVJNHVDX-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587811 1316609868 /nfs/dbraw/zinc/60/98/68/1316609868.db2.gz SIOIVEJVJNHVDX-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591186 1316611698 /nfs/dbraw/zinc/61/16/98/1316611698.db2.gz XSFNKJSSFPRDHX-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591186 1316611701 /nfs/dbraw/zinc/61/17/01/1316611701.db2.gz XSFNKJSSFPRDHX-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591186 1316611703 /nfs/dbraw/zinc/61/17/03/1316611703.db2.gz XSFNKJSSFPRDHX-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723421 1316665795 /nfs/dbraw/zinc/66/57/95/1316665795.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723421 1316665798 /nfs/dbraw/zinc/66/57/98/1316665798.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723421 1316665799 /nfs/dbraw/zinc/66/57/99/1316665799.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725486 1316668029 /nfs/dbraw/zinc/66/80/29/1316668029.db2.gz NKOGZHRWDWFGHJ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769677 1316688835 /nfs/dbraw/zinc/68/88/35/1316688835.db2.gz SPPIIGWZUXIRTG-FQEVSTJZSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782236 1316696780 /nfs/dbraw/zinc/69/67/80/1316696780.db2.gz TWJWABNYUBZNSF-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782236 1316696781 /nfs/dbraw/zinc/69/67/81/1316696781.db2.gz TWJWABNYUBZNSF-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782236 1316696782 /nfs/dbraw/zinc/69/67/82/1316696782.db2.gz TWJWABNYUBZNSF-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851600 1316737195 /nfs/dbraw/zinc/73/71/95/1316737195.db2.gz JSFNLCGLNITZRO-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042082597 1316867912 /nfs/dbraw/zinc/86/79/12/1316867912.db2.gz FOTALTNIFZAHKO-ZBFHGGJFSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042082597 1316867914 /nfs/dbraw/zinc/86/79/14/1316867914.db2.gz FOTALTNIFZAHKO-ZBFHGGJFSA-N 2 1 333.501 2.532 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121258 1316893008 /nfs/dbraw/zinc/89/30/08/1316893008.db2.gz GAEPSTKJTJTUAN-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894874 /nfs/dbraw/zinc/89/48/74/1316894874.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894877 /nfs/dbraw/zinc/89/48/77/1316894877.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894879 /nfs/dbraw/zinc/89/48/79/1316894879.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133168 1316900597 /nfs/dbraw/zinc/90/05/97/1316900597.db2.gz IPIYJMCIBOQMPU-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156436 1316917382 /nfs/dbraw/zinc/91/73/82/1316917382.db2.gz IVIWSRQTSMEUGO-YOEHRIQHSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156436 1316917386 /nfs/dbraw/zinc/91/73/86/1316917386.db2.gz IVIWSRQTSMEUGO-YOEHRIQHSA-N 2 1 344.846 2.623 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162164 1316921943 /nfs/dbraw/zinc/92/19/43/1316921943.db2.gz GRPLJAXHENWDBY-UYAOXDASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252738 1317036054 /nfs/dbraw/zinc/03/60/54/1317036054.db2.gz ADLFMLNAJSZMSC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252738 1317036063 /nfs/dbraw/zinc/03/60/63/1317036063.db2.gz ADLFMLNAJSZMSC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270565 1317069529 /nfs/dbraw/zinc/06/95/29/1317069529.db2.gz PZJRTFJRERBFJR-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP N#Cc1ccccc1C[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279233808 1317216028 /nfs/dbraw/zinc/21/60/28/1317216028.db2.gz VNWKBJAMFIXCSX-UHFFFAOYSA-N 2 1 348.450 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042372932 1317230486 /nfs/dbraw/zinc/23/04/86/1317230486.db2.gz BJASZWCPFRXSQR-WMZOPIPTSA-N 2 1 345.487 2.844 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279302051 1317230791 /nfs/dbraw/zinc/23/07/91/1317230791.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279302051 1317230799 /nfs/dbraw/zinc/23/07/99/1317230799.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279302051 1317230806 /nfs/dbraw/zinc/23/08/06/1317230806.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809777 1364056874 /nfs/dbraw/zinc/05/68/74/1364056874.db2.gz CRLQVKYEVYKKKK-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001335398305 1331342834 /nfs/dbraw/zinc/34/28/34/1331342834.db2.gz OJUJLRLYHCCCIR-UHFFFAOYSA-N 2 1 333.863 2.746 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001343560729 1332357837 /nfs/dbraw/zinc/35/78/37/1332357837.db2.gz OWNOTBZQKXKUMJ-HKUYNNGSSA-N 2 1 329.488 2.793 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756702 1333446482 /nfs/dbraw/zinc/44/64/82/1333446482.db2.gz IMTRLGPFNLGQOI-LJQANCHMSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000847516623 1333827356 /nfs/dbraw/zinc/82/73/56/1333827356.db2.gz XWIUWGRPSXWKAX-GOSISDBHSA-N 2 1 347.890 2.547 20 30 EFEDMP C[NH+]=C(NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)NC1CC1 ZINC000849026808 1335046026 /nfs/dbraw/zinc/04/60/26/1335046026.db2.gz VYFBKJXPUUVYDE-IYBDPMFKSA-N 2 1 328.504 2.992 20 30 EFEDMP C[NH+]=C(NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)NC1CC1 ZINC000849033947 1335048971 /nfs/dbraw/zinc/04/89/71/1335048971.db2.gz FZPOBINVESTVKT-QGZVFWFLSA-N 2 1 330.476 2.550 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849050394 1335057552 /nfs/dbraw/zinc/05/75/52/1335057552.db2.gz PUFUGVAGBIBYOQ-SFHVURJKSA-N 2 1 340.471 2.857 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001368783511 1339711340 /nfs/dbraw/zinc/71/13/40/1339711340.db2.gz HIYVRJFYGCMIFW-SFHVURJKSA-N 2 1 349.906 2.842 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001368783511 1339711342 /nfs/dbraw/zinc/71/13/42/1339711342.db2.gz HIYVRJFYGCMIFW-SFHVURJKSA-N 2 1 349.906 2.842 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001378918386 1345422250 /nfs/dbraw/zinc/42/22/50/1345422250.db2.gz IXNGUGJDYCBPFL-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379167894 1345638051 /nfs/dbraw/zinc/63/80/51/1345638051.db2.gz KFPWMFQOEVYMAW-LSDHHAIUSA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001379674613 1347249300 /nfs/dbraw/zinc/24/93/00/1347249300.db2.gz IOECMCQWKYANDZ-HUUCEWRRSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001380436922 1347669759 /nfs/dbraw/zinc/66/97/59/1347669759.db2.gz GABYQCWKTAGCOK-IBGZPJMESA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001380436922 1347669761 /nfs/dbraw/zinc/66/97/61/1347669761.db2.gz GABYQCWKTAGCOK-IBGZPJMESA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381165290 1348115217 /nfs/dbraw/zinc/11/52/17/1348115217.db2.gz ORZDFERZEAIZCP-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381165290 1348115220 /nfs/dbraw/zinc/11/52/20/1348115220.db2.gz ORZDFERZEAIZCP-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001381989995 1348645976 /nfs/dbraw/zinc/64/59/76/1348645976.db2.gz UNIUAXNJBUNVLX-UHFFFAOYSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001389752317 1353600265 /nfs/dbraw/zinc/60/02/65/1353600265.db2.gz BRGXRMYMLSPGOY-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001389752317 1353600268 /nfs/dbraw/zinc/60/02/68/1353600268.db2.gz BRGXRMYMLSPGOY-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001389752317 1353600270 /nfs/dbraw/zinc/60/02/70/1353600270.db2.gz BRGXRMYMLSPGOY-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001390153656 1353866979 /nfs/dbraw/zinc/86/69/79/1353866979.db2.gz HIYVRJFYGCMIFW-GOSISDBHSA-N 2 1 349.906 2.842 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001390153656 1353866985 /nfs/dbraw/zinc/86/69/85/1353866985.db2.gz HIYVRJFYGCMIFW-GOSISDBHSA-N 2 1 349.906 2.842 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391303776 1355045467 /nfs/dbraw/zinc/04/54/67/1355045467.db2.gz BSHYFRJYMRIOIA-HNNXBMFYSA-N 2 1 346.862 2.837 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391361337 1355126231 /nfs/dbraw/zinc/12/62/31/1355126231.db2.gz XWXDMSQHVGMRSE-HNNXBMFYSA-N 2 1 346.862 2.789 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001402003847 1363322681 /nfs/dbraw/zinc/32/26/81/1363322681.db2.gz KPTHBGGKJVQADE-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001393155773 1356660580 /nfs/dbraw/zinc/66/05/80/1356660580.db2.gz FFSKSAGNSGCLPP-KRWDZBQOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060706 1387391191 /nfs/dbraw/zinc/39/11/91/1387391191.db2.gz SOMDBXJINRVAGX-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398311201 1360456207 /nfs/dbraw/zinc/45/62/07/1360456207.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001401303350 1362648671 /nfs/dbraw/zinc/64/86/71/1362648671.db2.gz BTGPMCXRLJQVIU-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001401303350 1362648675 /nfs/dbraw/zinc/64/86/75/1362648675.db2.gz BTGPMCXRLJQVIU-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001401303350 1362648677 /nfs/dbraw/zinc/64/86/77/1362648677.db2.gz BTGPMCXRLJQVIU-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001402446697 1363699030 /nfs/dbraw/zinc/69/90/30/1363699030.db2.gz ZJTIJFCPTQNHAV-HNNXBMFYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001402496070 1363738972 /nfs/dbraw/zinc/73/89/72/1363738972.db2.gz OSQHYBOAXIMOLL-BPLDGKMQSA-N 2 1 338.883 2.605 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001402615549 1363838554 /nfs/dbraw/zinc/83/85/54/1363838554.db2.gz PKMCNTALTKEDRT-KRWDZBQOSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771026 1364019052 /nfs/dbraw/zinc/01/90/52/1364019052.db2.gz CTPNUOZDVSKTFI-WBVHZDCISA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809777 1364056873 /nfs/dbraw/zinc/05/68/73/1364056873.db2.gz CRLQVKYEVYKKKK-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001404512797 1365614931 /nfs/dbraw/zinc/61/49/31/1365614931.db2.gz SUCCBOCGCXPVTK-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1CC ZINC001406809136 1368083155 /nfs/dbraw/zinc/08/31/55/1368083155.db2.gz OAQNDEKGNHPWDV-JKSUJKDBSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001406998094 1368299704 /nfs/dbraw/zinc/29/97/04/1368299704.db2.gz BGQRSXNLOFBILA-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001406998094 1368299711 /nfs/dbraw/zinc/29/97/11/1368299711.db2.gz BGQRSXNLOFBILA-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001406998094 1368299718 /nfs/dbraw/zinc/29/97/18/1368299718.db2.gz BGQRSXNLOFBILA-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001407023145 1368338932 /nfs/dbraw/zinc/33/89/32/1368338932.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001407023145 1368338942 /nfs/dbraw/zinc/33/89/42/1368338942.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001407023145 1368338952 /nfs/dbraw/zinc/33/89/52/1368338952.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001407034600 1368358757 /nfs/dbraw/zinc/35/87/57/1368358757.db2.gz VBZRUNPXPZTBLK-GOSISDBHSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001407034600 1368358762 /nfs/dbraw/zinc/35/87/62/1368358762.db2.gz VBZRUNPXPZTBLK-GOSISDBHSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001407034600 1368358769 /nfs/dbraw/zinc/35/87/69/1368358769.db2.gz VBZRUNPXPZTBLK-GOSISDBHSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001407034600 1368358772 /nfs/dbraw/zinc/35/87/72/1368358772.db2.gz VBZRUNPXPZTBLK-GOSISDBHSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001418746797 1374451403 /nfs/dbraw/zinc/45/14/03/1374451403.db2.gz OPYIFAIHOZXXBA-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001418901949 1374659572 /nfs/dbraw/zinc/65/95/72/1374659572.db2.gz AFLCWXLEWVDZHJ-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001418901949 1374659577 /nfs/dbraw/zinc/65/95/77/1374659577.db2.gz AFLCWXLEWVDZHJ-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001420945390 1377921593 /nfs/dbraw/zinc/92/15/93/1377921593.db2.gz NMFQCNLIVUDUNV-OAHLLOKOSA-N 2 1 339.911 2.632 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001421550217 1378795398 /nfs/dbraw/zinc/79/53/98/1378795398.db2.gz OITUJBKPTDALIP-DJIMGWMZSA-N 2 1 341.927 2.593 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001421580118 1378842001 /nfs/dbraw/zinc/84/20/01/1378842001.db2.gz RTFJMENJEUXMPH-WMLDXEAASA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001438761675 1388792571 /nfs/dbraw/zinc/79/25/71/1388792571.db2.gz DZQICZSZVQPKNB-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001438761675 1388792575 /nfs/dbraw/zinc/79/25/75/1388792575.db2.gz DZQICZSZVQPKNB-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001438761675 1388792577 /nfs/dbraw/zinc/79/25/77/1388792577.db2.gz DZQICZSZVQPKNB-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001439806003 1389335086 /nfs/dbraw/zinc/33/50/86/1389335086.db2.gz VIFDXNLQDOKLBM-UHFFFAOYSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001440313057 1389524601 /nfs/dbraw/zinc/52/46/01/1389524601.db2.gz NCOVXHZABYTUGA-JQHSSLGASA-N 2 1 349.906 2.916 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001440313054 1389524848 /nfs/dbraw/zinc/52/48/48/1389524848.db2.gz NCOVXHZABYTUGA-BPQIPLTHSA-N 2 1 349.906 2.916 20 30 EFEDMP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001440703002 1389826821 /nfs/dbraw/zinc/82/68/21/1389826821.db2.gz RSVRNTKLIHUPNK-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001449058907 1392242303 /nfs/dbraw/zinc/24/23/03/1392242303.db2.gz NWUXGQMBYWBERQ-JKSUJKDBSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001449058905 1392242475 /nfs/dbraw/zinc/24/24/75/1392242475.db2.gz NWUXGQMBYWBERQ-HZPDHXFCSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001494214095 1399218239 /nfs/dbraw/zinc/21/82/39/1399218239.db2.gz FQXMOARXHURSAD-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494754774 1399456670 /nfs/dbraw/zinc/45/66/70/1399456670.db2.gz UCYGBEKHVWOLOB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001494754774 1399456672 /nfs/dbraw/zinc/45/66/72/1399456672.db2.gz UCYGBEKHVWOLOB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001494754774 1399456675 /nfs/dbraw/zinc/45/66/75/1399456675.db2.gz UCYGBEKHVWOLOB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001495470154 1400007935 /nfs/dbraw/zinc/00/79/35/1400007935.db2.gz LLODVEHGPOHQMP-SHTZXODSSA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001501092422 1403437359 /nfs/dbraw/zinc/43/73/59/1403437359.db2.gz UAMRZGFYZDBSPZ-WMZOPIPTSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001501092422 1403437362 /nfs/dbraw/zinc/43/73/62/1403437362.db2.gz UAMRZGFYZDBSPZ-WMZOPIPTSA-N 2 1 349.906 2.698 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(C)C)CC1 ZINC000969155632 712942146 /nfs/dbraw/zinc/94/21/46/712942146.db2.gz CKEPNJJNVLFTTF-HXUWFJFHSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000383177162 713070248 /nfs/dbraw/zinc/07/02/48/713070248.db2.gz OVYZUAUQLBSZMX-IAGOWNOFSA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000383177162 713070251 /nfs/dbraw/zinc/07/02/51/713070251.db2.gz OVYZUAUQLBSZMX-IAGOWNOFSA-N 2 1 337.508 2.615 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128329 713462879 /nfs/dbraw/zinc/46/28/79/713462879.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128329 713462880 /nfs/dbraw/zinc/46/28/80/713462880.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128329 713462881 /nfs/dbraw/zinc/46/28/81/713462881.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138244 713478482 /nfs/dbraw/zinc/47/84/82/713478482.db2.gz VBJKEXPGOHMMGN-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723520 717923822 /nfs/dbraw/zinc/92/38/22/717923822.db2.gz WGQZWVGEHGQBJD-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604041 714164499 /nfs/dbraw/zinc/16/44/99/714164499.db2.gz AFJSPBKQYANXCF-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604040 714164597 /nfs/dbraw/zinc/16/45/97/714164597.db2.gz AFJSPBKQYANXCF-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)CN1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021607871 714169591 /nfs/dbraw/zinc/16/95/91/714169591.db2.gz YBVAEOSTYBCPSI-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607871 714169592 /nfs/dbraw/zinc/16/95/92/714169592.db2.gz YBVAEOSTYBCPSI-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607871 714169595 /nfs/dbraw/zinc/16/95/95/714169595.db2.gz YBVAEOSTYBCPSI-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607871 714169596 /nfs/dbraw/zinc/16/95/96/714169596.db2.gz YBVAEOSTYBCPSI-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634579 714212125 /nfs/dbraw/zinc/21/21/25/714212125.db2.gz CJZNTTXHSJIASA-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671918 714275509 /nfs/dbraw/zinc/27/55/09/714275509.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671918 714275510 /nfs/dbraw/zinc/27/55/10/714275510.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671918 714275511 /nfs/dbraw/zinc/27/55/11/714275511.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681631 714294406 /nfs/dbraw/zinc/29/44/06/714294406.db2.gz HYRPGEUGFUNXIQ-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681631 714294409 /nfs/dbraw/zinc/29/44/09/714294409.db2.gz HYRPGEUGFUNXIQ-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700439 714333274 /nfs/dbraw/zinc/33/32/74/714333274.db2.gz PVIQCSWXGHIBSG-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701463 714335662 /nfs/dbraw/zinc/33/56/62/714335662.db2.gz ZBKXAQVZFJUZJK-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701465 714335760 /nfs/dbraw/zinc/33/57/60/714335760.db2.gz ZBKXAQVZFJUZJK-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739998 714403766 /nfs/dbraw/zinc/40/37/66/714403766.db2.gz PXULICSVHINRQP-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980251103 717980258 /nfs/dbraw/zinc/98/02/58/717980258.db2.gz FULBZSSOCAXMCA-YTQUADARSA-N 2 1 341.499 2.765 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000971704261 714895432 /nfs/dbraw/zinc/89/54/32/714895432.db2.gz QKWAFJQLRPGHJJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000971704261 714895434 /nfs/dbraw/zinc/89/54/34/714895434.db2.gz QKWAFJQLRPGHJJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC000971704261 714895436 /nfs/dbraw/zinc/89/54/36/714895436.db2.gz QKWAFJQLRPGHJJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC000971704261 714895438 /nfs/dbraw/zinc/89/54/38/714895438.db2.gz QKWAFJQLRPGHJJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947472147 715066743 /nfs/dbraw/zinc/06/67/43/715066743.db2.gz GAEQXCKKWPOEDO-UKRRQHHQSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947472147 715066746 /nfs/dbraw/zinc/06/67/46/715066746.db2.gz GAEQXCKKWPOEDO-UKRRQHHQSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623506 718034903 /nfs/dbraw/zinc/03/49/03/718034903.db2.gz FFTVQSAOJNDVPV-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623506 718034906 /nfs/dbraw/zinc/03/49/06/718034906.db2.gz FFTVQSAOJNDVPV-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624311 718036484 /nfs/dbraw/zinc/03/64/84/718036484.db2.gz OVIFIVUILGIUJD-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624311 718036487 /nfs/dbraw/zinc/03/64/87/718036487.db2.gz OVIFIVUILGIUJD-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368110 715299424 /nfs/dbraw/zinc/29/94/24/715299424.db2.gz NUPRFDWDMPEFLF-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368110 715299427 /nfs/dbraw/zinc/29/94/27/715299427.db2.gz NUPRFDWDMPEFLF-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366246 /nfs/dbraw/zinc/36/62/46/715366246.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366250 /nfs/dbraw/zinc/36/62/50/715366250.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366255 /nfs/dbraw/zinc/36/62/55/715366255.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366260 /nfs/dbraw/zinc/36/62/60/715366260.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366265 /nfs/dbraw/zinc/36/62/65/715366265.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366572 /nfs/dbraw/zinc/36/65/72/715366572.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366580 /nfs/dbraw/zinc/36/65/80/715366580.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366583 /nfs/dbraw/zinc/36/65/83/715366583.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366590 /nfs/dbraw/zinc/36/65/90/715366590.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366596 /nfs/dbraw/zinc/36/65/96/715366596.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000985458607 724409881 /nfs/dbraw/zinc/40/98/81/724409881.db2.gz FAPKORPIGQHPEF-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000985458607 724409885 /nfs/dbraw/zinc/40/98/85/724409885.db2.gz FAPKORPIGQHPEF-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000985458607 724409887 /nfs/dbraw/zinc/40/98/87/724409887.db2.gz FAPKORPIGQHPEF-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000985456910 724405057 /nfs/dbraw/zinc/40/50/57/724405057.db2.gz KFFFSAXBSNYYFY-UHFFFAOYSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009630469 715758500 /nfs/dbraw/zinc/75/85/00/715758500.db2.gz WJJTXNQITBIVQM-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473594 715942161 /nfs/dbraw/zinc/94/21/61/715942161.db2.gz OUSSVQLQQAQZNX-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473594 715942163 /nfs/dbraw/zinc/94/21/63/715942163.db2.gz OUSSVQLQQAQZNX-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473594 715942166 /nfs/dbraw/zinc/94/21/66/715942166.db2.gz OUSSVQLQQAQZNX-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473594 715942169 /nfs/dbraw/zinc/94/21/69/715942169.db2.gz OUSSVQLQQAQZNX-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481089 715980522 /nfs/dbraw/zinc/98/05/22/715980522.db2.gz OZUKSFIMYYJNAJ-HNNXBMFYSA-N 2 1 332.835 2.623 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507505 716097671 /nfs/dbraw/zinc/09/76/71/716097671.db2.gz OXDNGOGZLUMFTR-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977333284 716109546 /nfs/dbraw/zinc/10/95/46/716109546.db2.gz JRKDMKWSCFYPJL-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638208 716274452 /nfs/dbraw/zinc/27/44/52/716274452.db2.gz VYYMQPRYRCIKLK-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638208 716274454 /nfs/dbraw/zinc/27/44/54/716274454.db2.gz VYYMQPRYRCIKLK-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541169 716383098 /nfs/dbraw/zinc/38/30/98/716383098.db2.gz NLGXDLPQARQJIG-IAGOWNOFSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541169 716383101 /nfs/dbraw/zinc/38/31/01/716383101.db2.gz NLGXDLPQARQJIG-IAGOWNOFSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541169 716383105 /nfs/dbraw/zinc/38/31/05/716383105.db2.gz NLGXDLPQARQJIG-IAGOWNOFSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541169 716383107 /nfs/dbraw/zinc/38/31/07/716383107.db2.gz NLGXDLPQARQJIG-IAGOWNOFSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369899 716389151 /nfs/dbraw/zinc/38/91/51/716389151.db2.gz ICTJOIXYDNZUIE-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369899 716389156 /nfs/dbraw/zinc/38/91/56/716389156.db2.gz ICTJOIXYDNZUIE-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369899 716389160 /nfs/dbraw/zinc/38/91/60/716389160.db2.gz ICTJOIXYDNZUIE-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409978 716430226 /nfs/dbraw/zinc/43/02/26/716430226.db2.gz KHKRIQYFQCIYSE-RBUKOAKNSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409978 716430230 /nfs/dbraw/zinc/43/02/30/716430230.db2.gz KHKRIQYFQCIYSE-RBUKOAKNSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409978 716430234 /nfs/dbraw/zinc/43/02/34/716430234.db2.gz KHKRIQYFQCIYSE-RBUKOAKNSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414105 716439207 /nfs/dbraw/zinc/43/92/07/716439207.db2.gz MTZLCFIBZPPZJW-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414105 716439209 /nfs/dbraw/zinc/43/92/09/716439209.db2.gz MTZLCFIBZPPZJW-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414105 716439211 /nfs/dbraw/zinc/43/92/11/716439211.db2.gz MTZLCFIBZPPZJW-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978803236 716455874 /nfs/dbraw/zinc/45/58/74/716455874.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803236 716455875 /nfs/dbraw/zinc/45/58/75/716455875.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803236 716455877 /nfs/dbraw/zinc/45/58/77/716455877.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455688 716494208 /nfs/dbraw/zinc/49/42/08/716494208.db2.gz OYWPYBKYVOXAOP-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455688 716494212 /nfs/dbraw/zinc/49/42/12/716494212.db2.gz OYWPYBKYVOXAOP-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455688 716494217 /nfs/dbraw/zinc/49/42/17/716494217.db2.gz OYWPYBKYVOXAOP-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455688 716494224 /nfs/dbraw/zinc/49/42/24/716494224.db2.gz OYWPYBKYVOXAOP-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694496 716549286 /nfs/dbraw/zinc/54/92/86/716549286.db2.gz AHSNATFUJLIUMC-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694496 716549291 /nfs/dbraw/zinc/54/92/91/716549291.db2.gz AHSNATFUJLIUMC-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694574 716549680 /nfs/dbraw/zinc/54/96/80/716549680.db2.gz CUQTWIJYVLWIDT-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560159 716623311 /nfs/dbraw/zinc/62/33/11/716623311.db2.gz MQEUVFJSEGDVSZ-AWEZNQCLSA-N 2 1 339.867 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027574344 716694259 /nfs/dbraw/zinc/69/42/59/716694259.db2.gz PURSEANHGIQAMX-FQEVSTJZSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678181 716805692 /nfs/dbraw/zinc/80/56/92/716805692.db2.gz QSAZGAHKOVIJCU-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149270 716853741 /nfs/dbraw/zinc/85/37/41/716853741.db2.gz VYVBAPMASQFIFR-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149270 716853747 /nfs/dbraw/zinc/85/37/47/716853747.db2.gz VYVBAPMASQFIFR-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149270 716853753 /nfs/dbraw/zinc/85/37/53/716853753.db2.gz VYVBAPMASQFIFR-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601705 716916488 /nfs/dbraw/zinc/91/64/88/716916488.db2.gz GVBPUNJZOMIJMZ-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601705 716916492 /nfs/dbraw/zinc/91/64/92/716916492.db2.gz GVBPUNJZOMIJMZ-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601705 716916494 /nfs/dbraw/zinc/91/64/94/716916494.db2.gz GVBPUNJZOMIJMZ-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601705 716916497 /nfs/dbraw/zinc/91/64/97/716916497.db2.gz GVBPUNJZOMIJMZ-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602413 716917942 /nfs/dbraw/zinc/91/79/42/716917942.db2.gz SXZXGCAHFKVASS-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602413 716917947 /nfs/dbraw/zinc/91/79/47/716917947.db2.gz SXZXGCAHFKVASS-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000972702826 717126998 /nfs/dbraw/zinc/12/69/98/717126998.db2.gz ZDGMLXGBSJLGJT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972702826 717127000 /nfs/dbraw/zinc/12/70/00/717127000.db2.gz ZDGMLXGBSJLGJT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972702826 717127002 /nfs/dbraw/zinc/12/70/02/717127002.db2.gz ZDGMLXGBSJLGJT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972702826 717127004 /nfs/dbraw/zinc/12/70/04/717127004.db2.gz ZDGMLXGBSJLGJT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)cnc4c3)C[C@@H]2C1 ZINC000979714502 717358979 /nfs/dbraw/zinc/35/89/79/717358979.db2.gz PBXDMHFZFKYAKD-KSZLIROESA-N 2 1 338.455 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980089195 717732549 /nfs/dbraw/zinc/73/25/49/717732549.db2.gz XJHSCEVMTZOXHS-FHWLQOOXSA-N 2 1 345.531 2.798 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441018 717739999 /nfs/dbraw/zinc/73/99/99/717739999.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441018 717740003 /nfs/dbraw/zinc/74/00/03/717740003.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441018 717740006 /nfs/dbraw/zinc/74/00/06/717740006.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441019 717740232 /nfs/dbraw/zinc/74/02/32/717740232.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441019 717740237 /nfs/dbraw/zinc/74/02/37/717740237.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441019 717740241 /nfs/dbraw/zinc/74/02/41/717740241.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024486831 717810513 /nfs/dbraw/zinc/81/05/13/717810513.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181197 717848469 /nfs/dbraw/zinc/84/84/69/717848469.db2.gz XLULYOYIJDHXSN-GBESFXJTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181213 717848549 /nfs/dbraw/zinc/84/85/49/717848549.db2.gz XLULYOYIJDHXSN-OTWHNJEPSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181549 717849521 /nfs/dbraw/zinc/84/95/21/717849521.db2.gz DUAKXPLZNPDPIE-UFYCRDLUSA-N 2 1 341.499 2.765 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187668 717875913 /nfs/dbraw/zinc/87/59/13/717875913.db2.gz KGLODSWRJHNNMH-OTWHNJEPSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187565 717876163 /nfs/dbraw/zinc/87/61/63/717876163.db2.gz OZFQYDILOMGCOQ-FHWLQOOXSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647974 718056231 /nfs/dbraw/zinc/05/62/31/718056231.db2.gz CHPAPIHBPVOCRA-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000985492251 724481871 /nfs/dbraw/zinc/48/18/71/724481871.db2.gz DTSAJJFLGMCFDO-UHFFFAOYSA-N 2 1 332.835 2.852 20 30 EFEDMP C=C(Cl)CN(C)C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000985492251 724481874 /nfs/dbraw/zinc/48/18/74/724481874.db2.gz DTSAJJFLGMCFDO-UHFFFAOYSA-N 2 1 332.835 2.852 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751847 718134633 /nfs/dbraw/zinc/13/46/33/718134633.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751847 718134634 /nfs/dbraw/zinc/13/46/34/718134634.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751847 718134635 /nfs/dbraw/zinc/13/46/35/718134635.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168920 718163236 /nfs/dbraw/zinc/16/32/36/718163236.db2.gz LJUASHXEANOJEE-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981168920 718163237 /nfs/dbraw/zinc/16/32/37/718163237.db2.gz LJUASHXEANOJEE-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981168920 718163238 /nfs/dbraw/zinc/16/32/38/718163238.db2.gz LJUASHXEANOJEE-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811805 718175370 /nfs/dbraw/zinc/17/53/70/718175370.db2.gz ZSGKJEWQAZAZBR-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947308870 718226400 /nfs/dbraw/zinc/22/64/00/718226400.db2.gz ASUKARJWEUSQKL-HOTGVXAUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947308870 718226401 /nfs/dbraw/zinc/22/64/01/718226401.db2.gz ASUKARJWEUSQKL-HOTGVXAUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240354 718460093 /nfs/dbraw/zinc/46/00/93/718460093.db2.gz NPZRXTNMXRAGBX-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240354 718460094 /nfs/dbraw/zinc/46/00/94/718460094.db2.gz NPZRXTNMXRAGBX-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240354 718460095 /nfs/dbraw/zinc/46/00/95/718460095.db2.gz NPZRXTNMXRAGBX-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251860 718472744 /nfs/dbraw/zinc/47/27/44/718472744.db2.gz LKMWYBAXBQQECC-RBUKOAKNSA-N 2 1 338.455 2.979 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267296 718487523 /nfs/dbraw/zinc/48/75/23/718487523.db2.gz OBMNWTHOQGXQIC-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049409 718508275 /nfs/dbraw/zinc/50/82/75/718508275.db2.gz RWMUHRADDXAPMW-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275235 718513427 /nfs/dbraw/zinc/51/34/27/718513427.db2.gz VAQMERSIKLTECL-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275650 718514383 /nfs/dbraw/zinc/51/43/83/718514383.db2.gz YADJFZQNXYSPIP-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275648 718514437 /nfs/dbraw/zinc/51/44/37/718514437.db2.gz YADJFZQNXYSPIP-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279943 718518185 /nfs/dbraw/zinc/51/81/85/718518185.db2.gz JHCCDPPCLLZMLO-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281450 718520046 /nfs/dbraw/zinc/52/00/46/718520046.db2.gz VGYGAXTZYOAKHM-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287646 718524038 /nfs/dbraw/zinc/52/40/38/718524038.db2.gz FNVAWIIYBOPJIT-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288917 718526465 /nfs/dbraw/zinc/52/64/65/718526465.db2.gz MQGPCKMQWUQHMN-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289760 718530016 /nfs/dbraw/zinc/53/00/16/718530016.db2.gz SBUDQHXDJVBNFX-MOPGFXCFSA-N 2 1 344.503 2.774 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294255 718536508 /nfs/dbraw/zinc/53/65/08/718536508.db2.gz YGXKPCCUTDIJSP-QZTJIDSGSA-N 2 1 330.476 2.682 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300766 718546860 /nfs/dbraw/zinc/54/68/60/718546860.db2.gz FCYPRTKDOKOZGN-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001029917002 724522338 /nfs/dbraw/zinc/52/23/38/724522338.db2.gz GADMUDQCGVROON-VQTJNVASSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029917002 724522340 /nfs/dbraw/zinc/52/23/40/724522340.db2.gz GADMUDQCGVROON-VQTJNVASSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029917002 724522342 /nfs/dbraw/zinc/52/23/42/724522342.db2.gz GADMUDQCGVROON-VQTJNVASSA-N 2 1 341.499 2.760 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CCCCC2)CC1 ZINC000981361221 718664040 /nfs/dbraw/zinc/66/40/40/718664040.db2.gz AFONWPVRZXPFDJ-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CCCCC2)CC1 ZINC000981361221 718664041 /nfs/dbraw/zinc/66/40/41/718664041.db2.gz AFONWPVRZXPFDJ-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000981361221 718664042 /nfs/dbraw/zinc/66/40/42/718664042.db2.gz AFONWPVRZXPFDJ-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000981361221 718664043 /nfs/dbraw/zinc/66/40/43/718664043.db2.gz AFONWPVRZXPFDJ-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094447 718727514 /nfs/dbraw/zinc/72/75/14/718727514.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094447 718727516 /nfs/dbraw/zinc/72/75/16/718727516.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094447 718727520 /nfs/dbraw/zinc/72/75/20/718727520.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454293 718897771 /nfs/dbraw/zinc/89/77/71/718897771.db2.gz WZNNVPQUGOHUQP-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473209 718959476 /nfs/dbraw/zinc/95/94/76/718959476.db2.gz ARSGFRYAPXEJCZ-RDJZCZTQSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764953 719012133 /nfs/dbraw/zinc/01/21/33/719012133.db2.gz LGNZQHZHVGQUBA-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764953 719012138 /nfs/dbraw/zinc/01/21/38/719012138.db2.gz LGNZQHZHVGQUBA-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764953 719012142 /nfs/dbraw/zinc/01/21/42/719012142.db2.gz LGNZQHZHVGQUBA-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029921201 724554174 /nfs/dbraw/zinc/55/41/74/724554174.db2.gz SIEALBJNMRUTBD-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029921201 724554176 /nfs/dbraw/zinc/55/41/76/724554176.db2.gz SIEALBJNMRUTBD-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029921201 724554178 /nfs/dbraw/zinc/55/41/78/724554178.db2.gz SIEALBJNMRUTBD-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779663 719037795 /nfs/dbraw/zinc/03/77/95/719037795.db2.gz FZEICKYMKSCHIJ-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779663 719037800 /nfs/dbraw/zinc/03/78/00/719037800.db2.gz FZEICKYMKSCHIJ-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3CC)C2)C1 ZINC000981781187 719038892 /nfs/dbraw/zinc/03/88/92/719038892.db2.gz WOPNCQGHPIFESS-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781187 719038898 /nfs/dbraw/zinc/03/88/98/719038898.db2.gz WOPNCQGHPIFESS-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781187 719038902 /nfs/dbraw/zinc/03/89/02/719038902.db2.gz WOPNCQGHPIFESS-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813563 719061798 /nfs/dbraw/zinc/06/17/98/719061798.db2.gz MMLYBVNGMPIGQN-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813563 719061801 /nfs/dbraw/zinc/06/18/01/719061801.db2.gz MMLYBVNGMPIGQN-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813563 719061806 /nfs/dbraw/zinc/06/18/06/719061806.db2.gz MMLYBVNGMPIGQN-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813958 719062885 /nfs/dbraw/zinc/06/28/85/719062885.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813958 719062889 /nfs/dbraw/zinc/06/28/89/719062889.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813958 719062895 /nfs/dbraw/zinc/06/28/95/719062895.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981810675 719070978 /nfs/dbraw/zinc/07/09/78/719070978.db2.gz XDTWRZRLIVMHOD-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810675 719070983 /nfs/dbraw/zinc/07/09/83/719070983.db2.gz XDTWRZRLIVMHOD-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810675 719070986 /nfs/dbraw/zinc/07/09/86/719070986.db2.gz XDTWRZRLIVMHOD-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)CN1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981823028 719083289 /nfs/dbraw/zinc/08/32/89/719083289.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981823028 719083292 /nfs/dbraw/zinc/08/32/92/719083292.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981823028 719083296 /nfs/dbraw/zinc/08/32/96/719083296.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981823028 719083300 /nfs/dbraw/zinc/08/33/00/719083300.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981823028 719083303 /nfs/dbraw/zinc/08/33/03/719083303.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557355 719123905 /nfs/dbraw/zinc/12/39/05/719123905.db2.gz GUCYBZOZDFNFNC-XLIONFOSSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560043 719131113 /nfs/dbraw/zinc/13/11/13/719131113.db2.gz ZKBSQEKQVJLNBQ-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000981861361 719139789 /nfs/dbraw/zinc/13/97/89/719139789.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861361 719139791 /nfs/dbraw/zinc/13/97/91/719139791.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861361 719139794 /nfs/dbraw/zinc/13/97/94/719139794.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981864712 719142751 /nfs/dbraw/zinc/14/27/51/719142751.db2.gz HDSPKMFFEBOSCN-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864712 719142752 /nfs/dbraw/zinc/14/27/52/719142752.db2.gz HDSPKMFFEBOSCN-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864712 719142753 /nfs/dbraw/zinc/14/27/53/719142753.db2.gz HDSPKMFFEBOSCN-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865181 719143489 /nfs/dbraw/zinc/14/34/89/719143489.db2.gz NRYOWYIWSWAHER-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865181 719143493 /nfs/dbraw/zinc/14/34/93/719143493.db2.gz NRYOWYIWSWAHER-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865181 719143496 /nfs/dbraw/zinc/14/34/96/719143496.db2.gz NRYOWYIWSWAHER-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627682 719248577 /nfs/dbraw/zinc/24/85/77/719248577.db2.gz AWVSEDNQSOKNPZ-QUCCMNQESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629319 719253512 /nfs/dbraw/zinc/25/35/12/719253512.db2.gz FSOYLICFVARAQH-ZWKOTPCHSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000328126325 719287167 /nfs/dbraw/zinc/28/71/67/719287167.db2.gz UEPLWGCOJHRWFX-QGZVFWFLSA-N 2 1 335.289 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000328126325 719287169 /nfs/dbraw/zinc/28/71/69/719287169.db2.gz UEPLWGCOJHRWFX-QGZVFWFLSA-N 2 1 335.289 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238286 719297909 /nfs/dbraw/zinc/29/79/09/719297909.db2.gz GQMNJJAKUBYNOM-IRXDYDNUSA-N 2 1 337.508 2.709 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238286 719297911 /nfs/dbraw/zinc/29/79/11/719297911.db2.gz GQMNJJAKUBYNOM-IRXDYDNUSA-N 2 1 337.508 2.709 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009164 719432674 /nfs/dbraw/zinc/43/26/74/719432674.db2.gz HYEDFBYJSVITEY-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009164 719432677 /nfs/dbraw/zinc/43/26/77/719432677.db2.gz HYEDFBYJSVITEY-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052544 719507180 /nfs/dbraw/zinc/50/71/80/719507180.db2.gz OYODVOZJFBJZNB-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062675 719516807 /nfs/dbraw/zinc/51/68/07/719516807.db2.gz BIFLOLUXVCPJHZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062675 719516809 /nfs/dbraw/zinc/51/68/09/719516809.db2.gz BIFLOLUXVCPJHZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062675 719516813 /nfs/dbraw/zinc/51/68/13/719516813.db2.gz BIFLOLUXVCPJHZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062644 719517051 /nfs/dbraw/zinc/51/70/51/719517051.db2.gz APEHLYYSBUZCSE-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062644 719517056 /nfs/dbraw/zinc/51/70/56/719517056.db2.gz APEHLYYSBUZCSE-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062644 719517059 /nfs/dbraw/zinc/51/70/59/719517059.db2.gz APEHLYYSBUZCSE-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062672 719517081 /nfs/dbraw/zinc/51/70/81/719517081.db2.gz BIFLOLUXVCPJHZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062672 719517086 /nfs/dbraw/zinc/51/70/86/719517086.db2.gz BIFLOLUXVCPJHZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062672 719517087 /nfs/dbraw/zinc/51/70/87/719517087.db2.gz BIFLOLUXVCPJHZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110458 719568539 /nfs/dbraw/zinc/56/85/39/719568539.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110458 719568542 /nfs/dbraw/zinc/56/85/42/719568542.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110458 719568545 /nfs/dbraw/zinc/56/85/45/719568545.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116801 719574317 /nfs/dbraw/zinc/57/43/17/719574317.db2.gz SUZNPKVPPJZIKG-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116796 719574450 /nfs/dbraw/zinc/57/44/50/719574450.db2.gz SUZNPKVPPJZIKG-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162323 719607019 /nfs/dbraw/zinc/60/70/19/719607019.db2.gz OHHRNGUIKHOJLQ-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162323 719607024 /nfs/dbraw/zinc/60/70/24/719607024.db2.gz OHHRNGUIKHOJLQ-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162323 719607027 /nfs/dbraw/zinc/60/70/27/719607027.db2.gz OHHRNGUIKHOJLQ-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163574 719608454 /nfs/dbraw/zinc/60/84/54/719608454.db2.gz HQTPWHWMJNSBFK-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275433 719772981 /nfs/dbraw/zinc/77/29/81/719772981.db2.gz GRHLUBIKXPBNLA-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178573957 719786228 /nfs/dbraw/zinc/78/62/28/719786228.db2.gz LLAFFOVQGIUAQX-MRXNPFEDSA-N 2 1 340.471 2.620 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178573957 719786232 /nfs/dbraw/zinc/78/62/32/719786232.db2.gz LLAFFOVQGIUAQX-MRXNPFEDSA-N 2 1 340.471 2.620 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279610 719787920 /nfs/dbraw/zinc/78/79/20/719787920.db2.gz AYUNSYHUEVTZAW-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279610 719787922 /nfs/dbraw/zinc/78/79/22/719787922.db2.gz AYUNSYHUEVTZAW-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279610 719787927 /nfs/dbraw/zinc/78/79/27/719787927.db2.gz AYUNSYHUEVTZAW-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295740 719836205 /nfs/dbraw/zinc/83/62/05/719836205.db2.gz CDDNTFJIASRDMA-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295740 719836208 /nfs/dbraw/zinc/83/62/08/719836208.db2.gz CDDNTFJIASRDMA-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295740 719836213 /nfs/dbraw/zinc/83/62/13/719836213.db2.gz CDDNTFJIASRDMA-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295750 719837523 /nfs/dbraw/zinc/83/75/23/719837523.db2.gz CLCHEYQRPJFGGD-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295750 719837533 /nfs/dbraw/zinc/83/75/33/719837533.db2.gz CLCHEYQRPJFGGD-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295750 719837542 /nfs/dbraw/zinc/83/75/42/719837542.db2.gz CLCHEYQRPJFGGD-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295749 719837643 /nfs/dbraw/zinc/83/76/43/719837643.db2.gz CLCHEYQRPJFGGD-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295749 719837647 /nfs/dbraw/zinc/83/76/47/719837647.db2.gz CLCHEYQRPJFGGD-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295749 719837652 /nfs/dbraw/zinc/83/76/52/719837652.db2.gz CLCHEYQRPJFGGD-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982307872 719881236 /nfs/dbraw/zinc/88/12/36/719881236.db2.gz DMRRHTXUMHQGOQ-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307872 719881240 /nfs/dbraw/zinc/88/12/40/719881240.db2.gz DMRRHTXUMHQGOQ-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307872 719881246 /nfs/dbraw/zinc/88/12/46/719881246.db2.gz DMRRHTXUMHQGOQ-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332883 720372571 /nfs/dbraw/zinc/37/25/71/720372571.db2.gz FSMICQNFEDUJGQ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343798 720398341 /nfs/dbraw/zinc/39/83/41/720398341.db2.gz RUGKKQSXVLSYQO-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001026370766 720414422 /nfs/dbraw/zinc/41/44/22/720414422.db2.gz YDXXKGYBSCVJPH-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503325 720678787 /nfs/dbraw/zinc/67/87/87/720678787.db2.gz SFRLHNKXSKOOHD-UYSNPLJNSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598774 720932288 /nfs/dbraw/zinc/93/22/88/720932288.db2.gz KWKTYQKUSDMHPZ-YTQUADARSA-N 2 1 330.476 2.581 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616507 720950542 /nfs/dbraw/zinc/95/05/42/720950542.db2.gz DFMADDGKCYNWMJ-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982618701 720953813 /nfs/dbraw/zinc/95/38/13/720953813.db2.gz ZEXZTVAFJPXSMC-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982618701 720953816 /nfs/dbraw/zinc/95/38/16/720953816.db2.gz ZEXZTVAFJPXSMC-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641515 721033897 /nfs/dbraw/zinc/03/38/97/721033897.db2.gz NVJAFEWPBJCKKZ-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641515 721033901 /nfs/dbraw/zinc/03/39/01/721033901.db2.gz NVJAFEWPBJCKKZ-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641515 721033906 /nfs/dbraw/zinc/03/39/06/721033906.db2.gz NVJAFEWPBJCKKZ-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641514 721034092 /nfs/dbraw/zinc/03/40/92/721034092.db2.gz NVJAFEWPBJCKKZ-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641514 721034097 /nfs/dbraw/zinc/03/40/97/721034097.db2.gz NVJAFEWPBJCKKZ-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641514 721034100 /nfs/dbraw/zinc/03/41/00/721034100.db2.gz NVJAFEWPBJCKKZ-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831474 721303707 /nfs/dbraw/zinc/30/37/07/721303707.db2.gz LXXYLMGXCTYSLC-BGYRXZFFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974748802 721385248 /nfs/dbraw/zinc/38/52/48/721385248.db2.gz VTGRAAODLJWIRW-KRWDZBQOSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974742447 721392721 /nfs/dbraw/zinc/39/27/21/721392721.db2.gz PNNWTIMMWIWCQF-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974828533 721463030 /nfs/dbraw/zinc/46/30/30/721463030.db2.gz PIXUGLZQMFLVPH-KRWDZBQOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862403 721484241 /nfs/dbraw/zinc/48/42/41/721484241.db2.gz KAPAYQNZGPADCX-QZTJIDSGSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012021 722632612 /nfs/dbraw/zinc/63/26/12/722632612.db2.gz GUJYWRJOYHNYKX-MRXNPFEDSA-N 2 1 333.476 2.749 20 30 EFEDMP C#CCOc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000314607947 723007068 /nfs/dbraw/zinc/00/70/68/723007068.db2.gz JLCFOCAHGANFPT-UHFFFAOYSA-N 2 1 348.244 2.756 20 30 EFEDMP CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154634871 728832787 /nfs/dbraw/zinc/83/27/87/728832787.db2.gz HFJZZMLPFBWFNH-VQIMIIECSA-N 2 1 344.503 2.736 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985428834 724324407 /nfs/dbraw/zinc/32/44/07/724324407.db2.gz LRHQXIIRWPVBHQ-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985428834 724324410 /nfs/dbraw/zinc/32/44/10/724324410.db2.gz LRHQXIIRWPVBHQ-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000985433124 724340945 /nfs/dbraw/zinc/34/09/45/724340945.db2.gz JHSVWYGWCXKECY-UHFFFAOYSA-N 2 1 346.862 2.932 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987105058 725509073 /nfs/dbraw/zinc/50/90/73/725509073.db2.gz WRGKMRLQXWXKHJ-GJZGRUSLSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992153266 725566360 /nfs/dbraw/zinc/56/63/60/725566360.db2.gz UVAYDWDPQKLMHZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992153266 725566363 /nfs/dbraw/zinc/56/63/63/725566363.db2.gz UVAYDWDPQKLMHZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992153266 725566365 /nfs/dbraw/zinc/56/63/65/725566365.db2.gz UVAYDWDPQKLMHZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992292933 725684229 /nfs/dbraw/zinc/68/42/29/725684229.db2.gz DTGHQNUNHMOBKP-QWFCFKBJSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992317669 725711134 /nfs/dbraw/zinc/71/11/34/725711134.db2.gz PCKPEUWPNFWTEM-QUCCMNQESA-N 2 1 327.472 2.661 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992399575 725777868 /nfs/dbraw/zinc/77/78/68/725777868.db2.gz CJLORTDYBUNOOD-CTNGQTDRSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992508330 725911575 /nfs/dbraw/zinc/91/15/75/725911575.db2.gz LUKKDBDMGFXCRN-UYAOXDASSA-N 2 1 327.472 2.661 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057816 726188495 /nfs/dbraw/zinc/18/84/95/726188495.db2.gz ZGJUYXBXWHTDCH-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993617016 727327142 /nfs/dbraw/zinc/32/71/42/727327142.db2.gz RUGRRFHOLFXAAI-MAUKXSAKSA-N 2 1 326.444 2.883 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993621306 727329230 /nfs/dbraw/zinc/32/92/30/727329230.db2.gz JTXYFFLMQPUUEC-QFBILLFUSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993624088 727346090 /nfs/dbraw/zinc/34/60/90/727346090.db2.gz RLXURLUQONFOMD-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993624088 727346093 /nfs/dbraw/zinc/34/60/93/727346093.db2.gz RLXURLUQONFOMD-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630189 727348479 /nfs/dbraw/zinc/34/84/79/727348479.db2.gz KNSXLVKKULWFSV-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993825294 727531391 /nfs/dbraw/zinc/53/13/91/727531391.db2.gz NHZGJMZEUGXHDI-VQIMIIECSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993825293 727531455 /nfs/dbraw/zinc/53/14/55/727531455.db2.gz NHZGJMZEUGXHDI-QFBILLFUSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007534 727579056 /nfs/dbraw/zinc/57/90/56/727579056.db2.gz PMIJKUVITKADQR-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007538 727579170 /nfs/dbraw/zinc/57/91/70/727579170.db2.gz PMIJKUVITKADQR-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012640 727579919 /nfs/dbraw/zinc/57/99/19/727579919.db2.gz VWOMLYFCWICMIV-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201933 727622077 /nfs/dbraw/zinc/62/20/77/727622077.db2.gz INOVZAWVTILCSZ-LPHOPBHVSA-N 2 1 333.520 2.654 20 30 EFEDMP COc1ccc(CNC(NC[C@H]2CCC[N@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509215 727719682 /nfs/dbraw/zinc/71/96/82/727719682.db2.gz XQNWTGJOLJQTFX-MRXNPFEDSA-N 2 1 332.492 2.623 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994469459 727762753 /nfs/dbraw/zinc/76/27/53/727762753.db2.gz JIKXNVRTZZXMKU-WMZOPIPTSA-N 2 1 345.487 2.727 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489046 727769862 /nfs/dbraw/zinc/76/98/62/727769862.db2.gz SGZJOCOYTDCHIQ-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489049 727769902 /nfs/dbraw/zinc/76/99/02/727769902.db2.gz SGZJOCOYTDCHIQ-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493681 727770742 /nfs/dbraw/zinc/77/07/42/727770742.db2.gz FCIVEUSHRQDTFL-XLIONFOSSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493661 727770746 /nfs/dbraw/zinc/77/07/46/727770746.db2.gz FCIVEUSHRQDTFL-FXAWDEMLSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nccn4C3)CCC[C@H]12 ZINC000991448503 727826506 /nfs/dbraw/zinc/82/65/06/727826506.db2.gz RRPWFNJISAZFPT-ABSDTBQOSA-N 2 1 342.487 2.525 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991468466 727877903 /nfs/dbraw/zinc/87/79/03/727877903.db2.gz CDIUPGBPIMTEJP-ICSRJNTNSA-N 2 1 338.455 2.946 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174096 728343913 /nfs/dbraw/zinc/34/39/13/728343913.db2.gz UDJOMAGIUKFXKE-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829547 728529664 /nfs/dbraw/zinc/52/96/64/728529664.db2.gz PQKQPSSWDZLAPJ-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829547 728529666 /nfs/dbraw/zinc/52/96/66/728529666.db2.gz PQKQPSSWDZLAPJ-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829547 728529668 /nfs/dbraw/zinc/52/96/68/728529668.db2.gz PQKQPSSWDZLAPJ-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833081 728538353 /nfs/dbraw/zinc/53/83/53/728538353.db2.gz IUUBMGNZUSOYIN-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833082 728538506 /nfs/dbraw/zinc/53/85/06/728538506.db2.gz IUUBMGNZUSOYIN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C[NH+](C)C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC001646527067 1087836182 /nfs/dbraw/zinc/83/61/82/1087836182.db2.gz BBARBHUHHJNVHI-RDJZCZTQSA-N 2 1 337.895 2.876 20 30 EFEDMP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574835735 1088113844 /nfs/dbraw/zinc/11/38/44/1088113844.db2.gz FLBGZMZBUCHIKO-RTBURBONSA-N 2 1 332.492 2.611 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849781 1088118887 /nfs/dbraw/zinc/11/88/87/1088118887.db2.gz QUTMHMMOCFHDNW-QZTJIDSGSA-N 2 1 349.906 2.968 20 30 EFEDMP C=CC[C@]1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888357 1088139741 /nfs/dbraw/zinc/13/97/41/1088139741.db2.gz COWVGBLMFYYSKI-PZJWPPBQSA-N 2 1 341.499 2.808 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001574903979 1088147638 /nfs/dbraw/zinc/14/76/38/1088147638.db2.gz YVVBGQKPWFETQP-WDSOQIARSA-N 2 1 329.488 2.697 20 30 EFEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001578476992 1090382513 /nfs/dbraw/zinc/38/25/13/1090382513.db2.gz FINPMTVOFKERPT-UHFFFAOYSA-N 2 1 335.451 2.853 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1C#N ZINC001578875644 1090461213 /nfs/dbraw/zinc/46/12/13/1090461213.db2.gz SYCOVZAFUIFASU-GOSISDBHSA-N 2 1 341.455 2.555 20 30 EFEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580078382 1090766106 /nfs/dbraw/zinc/76/61/06/1090766106.db2.gz WMFPRMDCEOOFAA-CVEARBPZSA-N 2 1 328.416 2.678 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448193 1092754484 /nfs/dbraw/zinc/75/44/84/1092754484.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448193 1092754494 /nfs/dbraw/zinc/75/44/94/1092754494.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448193 1092754506 /nfs/dbraw/zinc/75/45/06/1092754506.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075453772 1093038801 /nfs/dbraw/zinc/03/88/01/1093038801.db2.gz AUAHHBWXJGSXIW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453772 1093038811 /nfs/dbraw/zinc/03/88/11/1093038811.db2.gz AUAHHBWXJGSXIW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453772 1093038823 /nfs/dbraw/zinc/03/88/23/1093038823.db2.gz AUAHHBWXJGSXIW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211560371 1093152330 /nfs/dbraw/zinc/15/23/30/1093152330.db2.gz GCUSIAOEPLQOGX-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515107 1093196003 /nfs/dbraw/zinc/19/60/03/1093196003.db2.gz VJUSGBWMJVXQLU-DYXWJJEUSA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461923 1093334856 /nfs/dbraw/zinc/33/48/56/1093334856.db2.gz WTZCBOWNLCCILY-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625472 1094453707 /nfs/dbraw/zinc/45/37/07/1094453707.db2.gz IHHWKYFRSUUTOO-RBUKOAKNSA-N 2 1 343.515 2.877 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529883 1094761610 /nfs/dbraw/zinc/76/16/10/1094761610.db2.gz TUGVGQRRRNJTSB-HBFSDRIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742592 1094981691 /nfs/dbraw/zinc/98/16/91/1094981691.db2.gz BVHCBVFLOWXDGT-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481506820 1094990634 /nfs/dbraw/zinc/99/06/34/1094990634.db2.gz LEHWWDMHDNXDGK-KRWDZBQOSA-N 2 1 341.927 2.785 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293158 1095026153 /nfs/dbraw/zinc/02/61/53/1095026153.db2.gz ZGEFLMKLIKDHRE-OLMNPRSZSA-N 2 1 338.455 2.968 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301915 1095141900 /nfs/dbraw/zinc/14/19/00/1095141900.db2.gz KKULCTHXCXZXFM-GUDVDZBRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001087303206 1095160763 /nfs/dbraw/zinc/16/07/63/1095160763.db2.gz HYESMLRGRHDTAK-NZSAHSFTSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303206 1095160770 /nfs/dbraw/zinc/16/07/70/1095160770.db2.gz HYESMLRGRHDTAK-NZSAHSFTSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303206 1095160784 /nfs/dbraw/zinc/16/07/84/1095160784.db2.gz HYESMLRGRHDTAK-NZSAHSFTSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087307117 1095196831 /nfs/dbraw/zinc/19/68/31/1095196831.db2.gz UICOPCYIGXLROI-MISYRCLQSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309219 1095234468 /nfs/dbraw/zinc/23/44/68/1095234468.db2.gz CPQXCGSAULVGDF-RLLQIKCJSA-N 2 1 347.547 2.900 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694149 1095651576 /nfs/dbraw/zinc/65/15/76/1095651576.db2.gz DNGXHKMVWNWJPR-SFHVURJKSA-N 2 1 333.520 2.540 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481689114 1096316458 /nfs/dbraw/zinc/31/64/58/1096316458.db2.gz WJWIGWDPAREYKS-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481689114 1096316466 /nfs/dbraw/zinc/31/64/66/1096316466.db2.gz WJWIGWDPAREYKS-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](CCC[NH3+])C(=O)OC)cc1 ZINC001167902246 1096377752 /nfs/dbraw/zinc/37/77/52/1096377752.db2.gz VLCPAMAJNUTWKV-MSOLQXFVSA-N 2 1 331.460 2.702 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737430 1098973743 /nfs/dbraw/zinc/97/37/43/1098973743.db2.gz SWGRYLGVTSCKJT-GOSISDBHSA-N 2 1 335.536 2.951 20 30 EFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010512 1099357926 /nfs/dbraw/zinc/35/79/26/1099357926.db2.gz OQBPCKSCZKYYDO-GUDVDZBRSA-N 2 1 337.552 2.983 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168007976 1100186460 /nfs/dbraw/zinc/18/64/60/1100186460.db2.gz VXPXKPGKEWBFHQ-KAKFPZCNSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168007976 1100186464 /nfs/dbraw/zinc/18/64/64/1100186464.db2.gz VXPXKPGKEWBFHQ-KAKFPZCNSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168007976 1100186466 /nfs/dbraw/zinc/18/64/66/1100186466.db2.gz VXPXKPGKEWBFHQ-KAKFPZCNSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168007976 1100186470 /nfs/dbraw/zinc/18/64/70/1100186470.db2.gz VXPXKPGKEWBFHQ-KAKFPZCNSA-N 2 1 347.503 2.768 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811908 1100508173 /nfs/dbraw/zinc/50/81/73/1100508173.db2.gz LFSSTPBEGOXJDH-YESZJQIVSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811908 1100508180 /nfs/dbraw/zinc/50/81/80/1100508180.db2.gz LFSSTPBEGOXJDH-YESZJQIVSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540543 /nfs/dbraw/zinc/54/05/43/1100540543.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540548 /nfs/dbraw/zinc/54/05/48/1100540548.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540554 /nfs/dbraw/zinc/54/05/54/1100540554.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395790 1100559255 /nfs/dbraw/zinc/55/92/55/1100559255.db2.gz FMDKYJZKNCUDOP-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396655 1100586809 /nfs/dbraw/zinc/58/68/09/1100586809.db2.gz RPIQXRRKLUFQNE-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087659832 1100639805 /nfs/dbraw/zinc/63/98/05/1100639805.db2.gz DGRUWBGCMOGRDT-ZWKOTPCHSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671716 1100652800 /nfs/dbraw/zinc/65/28/00/1100652800.db2.gz MNNHUARZELBMHN-VQTJNVASSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677639 /nfs/dbraw/zinc/67/76/39/1100677639.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677644 /nfs/dbraw/zinc/67/76/44/1100677644.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677648 /nfs/dbraw/zinc/67/76/48/1100677648.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087963813 1101089504 /nfs/dbraw/zinc/08/95/04/1101089504.db2.gz IRRMUDIBJXAOLZ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963813 1101089516 /nfs/dbraw/zinc/08/95/16/1101089516.db2.gz IRRMUDIBJXAOLZ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963813 1101089525 /nfs/dbraw/zinc/08/95/25/1101089525.db2.gz IRRMUDIBJXAOLZ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994087 1101164328 /nfs/dbraw/zinc/16/43/28/1101164328.db2.gz QMYGMIRLKXZXGS-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994087 1101164330 /nfs/dbraw/zinc/16/43/30/1101164330.db2.gz QMYGMIRLKXZXGS-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994087 1101164333 /nfs/dbraw/zinc/16/43/33/1101164333.db2.gz QMYGMIRLKXZXGS-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993694 1101167141 /nfs/dbraw/zinc/16/71/41/1101167141.db2.gz YRAKYVDVYPADDP-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993694 1101167144 /nfs/dbraw/zinc/16/71/44/1101167144.db2.gz YRAKYVDVYPADDP-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993694 1101167148 /nfs/dbraw/zinc/16/71/48/1101167148.db2.gz YRAKYVDVYPADDP-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010288 1101189449 /nfs/dbraw/zinc/18/94/49/1101189449.db2.gz OYETVGJDPLPDBD-MOPGFXCFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078523 1101386296 /nfs/dbraw/zinc/38/62/96/1101386296.db2.gz KXWMQAHMPIWPKO-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078523 1101386308 /nfs/dbraw/zinc/38/63/08/1101386308.db2.gz KXWMQAHMPIWPKO-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078523 1101386318 /nfs/dbraw/zinc/38/63/18/1101386318.db2.gz KXWMQAHMPIWPKO-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128877 1101621486 /nfs/dbraw/zinc/62/14/86/1101621486.db2.gz MJOMLAXODVNCCY-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128877 1101621489 /nfs/dbraw/zinc/62/14/89/1101621489.db2.gz MJOMLAXODVNCCY-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129811 1101622913 /nfs/dbraw/zinc/62/29/13/1101622913.db2.gz HKHMRAWSFGARQG-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130016 1101623374 /nfs/dbraw/zinc/62/33/74/1101623374.db2.gz RYVIKCBYXDQGML-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130016 1101623381 /nfs/dbraw/zinc/62/33/81/1101623381.db2.gz RYVIKCBYXDQGML-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129960 1101623437 /nfs/dbraw/zinc/62/34/37/1101623437.db2.gz OKQCWVURICXNDP-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088212857 1101891912 /nfs/dbraw/zinc/89/19/12/1101891912.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212857 1101891934 /nfs/dbraw/zinc/89/19/34/1101891934.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212857 1101891949 /nfs/dbraw/zinc/89/19/49/1101891949.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235848 1102112377 /nfs/dbraw/zinc/11/23/77/1102112377.db2.gz AUUQMEZORLJCSB-QGZVFWFLSA-N 2 1 344.503 2.596 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240137 1102122886 /nfs/dbraw/zinc/12/28/86/1102122886.db2.gz CAMAMDCQABVSCM-UHFFFAOYSA-N 2 1 329.916 2.593 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001088314777 1102866612 /nfs/dbraw/zinc/86/66/12/1102866612.db2.gz GSCBPLZRLLZOBS-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088326942 1102931111 /nfs/dbraw/zinc/93/11/11/1102931111.db2.gz BDKGKYJNGMXKPH-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430942 1103586841 /nfs/dbraw/zinc/58/68/41/1103586841.db2.gz BUPGZWRVYZSINV-RTBURBONSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522138 1104143095 /nfs/dbraw/zinc/14/30/95/1104143095.db2.gz OAHIGZSVGGEITN-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588487 /nfs/dbraw/zinc/58/84/87/1104588487.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588496 /nfs/dbraw/zinc/58/84/96/1104588496.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588504 /nfs/dbraw/zinc/58/85/04/1104588504.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230267 1105686791 /nfs/dbraw/zinc/68/67/91/1105686791.db2.gz ANPDAOJVFKGGMX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230267 1105686793 /nfs/dbraw/zinc/68/67/93/1105686793.db2.gz ANPDAOJVFKGGMX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230267 1105686795 /nfs/dbraw/zinc/68/67/95/1105686795.db2.gz ANPDAOJVFKGGMX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517381 1105863702 /nfs/dbraw/zinc/86/37/02/1105863702.db2.gz BCPVXCZFYOPJFC-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518087 1105864769 /nfs/dbraw/zinc/86/47/69/1105864769.db2.gz QKCBDEAVWNHVHY-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542075 1105899735 /nfs/dbraw/zinc/89/97/35/1105899735.db2.gz OMMQNIPQAVRQBR-LJQANCHMSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105564214 1105934284 /nfs/dbraw/zinc/93/42/84/1105934284.db2.gz XZDBNVMOSYWDDG-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563291 1105941971 /nfs/dbraw/zinc/94/19/71/1105941971.db2.gz IWYNHMZHMKPJLO-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575202 1105962604 /nfs/dbraw/zinc/96/26/04/1105962604.db2.gz UTPPRRPUZXRDDB-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577508 1105966073 /nfs/dbraw/zinc/96/60/73/1105966073.db2.gz WGGOTBIGDLCEES-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577507 1105966224 /nfs/dbraw/zinc/96/62/24/1105966224.db2.gz WGGOTBIGDLCEES-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577667 1105966913 /nfs/dbraw/zinc/96/69/13/1105966913.db2.gz YHWPOZBKBWQIQY-KRWDZBQOSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)N(C)C)CC1 ZINC000989459525 1106289067 /nfs/dbraw/zinc/28/90/67/1106289067.db2.gz XPMBDLORWVWGFA-FQEVSTJZSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459525 1106289070 /nfs/dbraw/zinc/28/90/70/1106289070.db2.gz XPMBDLORWVWGFA-FQEVSTJZSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459525 1106289075 /nfs/dbraw/zinc/28/90/75/1106289075.db2.gz XPMBDLORWVWGFA-FQEVSTJZSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241314 1106488413 /nfs/dbraw/zinc/48/84/13/1106488413.db2.gz NEEBJIKMLARJPA-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241314 1106488415 /nfs/dbraw/zinc/48/84/15/1106488415.db2.gz NEEBJIKMLARJPA-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241314 1106488417 /nfs/dbraw/zinc/48/84/17/1106488417.db2.gz NEEBJIKMLARJPA-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241574 1106493789 /nfs/dbraw/zinc/49/37/89/1106493789.db2.gz PJAGYGBTAJYMEW-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241574 1106493791 /nfs/dbraw/zinc/49/37/91/1106493791.db2.gz PJAGYGBTAJYMEW-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319775 1106687996 /nfs/dbraw/zinc/68/79/96/1106687996.db2.gz XXWICLPRTWJIFF-NTFDOXNWSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CCC([NH+](C)C)CC1)CCO2 ZINC001168323155 1106728283 /nfs/dbraw/zinc/72/82/83/1106728283.db2.gz SGGMJCFPHMMVEQ-YNIZLOQISA-N 2 1 336.520 2.933 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624690 /nfs/dbraw/zinc/62/46/90/1108624690.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624697 /nfs/dbraw/zinc/62/46/97/1108624697.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624702 /nfs/dbraw/zinc/62/47/02/1108624702.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150028 1108657334 /nfs/dbraw/zinc/65/73/34/1108657334.db2.gz ZXGMTQQCTNGQDI-IXDOHACOSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769975 1108726472 /nfs/dbraw/zinc/72/64/72/1108726472.db2.gz QKUDFJGHJCSQKG-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762044 1109220971 /nfs/dbraw/zinc/22/09/71/1109220971.db2.gz LEILGAPGUNJIFL-UIBIWLFHSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762044 1109220973 /nfs/dbraw/zinc/22/09/73/1109220973.db2.gz LEILGAPGUNJIFL-UIBIWLFHSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762044 1109220977 /nfs/dbraw/zinc/22/09/77/1109220977.db2.gz LEILGAPGUNJIFL-UIBIWLFHSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762044 1109220978 /nfs/dbraw/zinc/22/09/78/1109220978.db2.gz LEILGAPGUNJIFL-UIBIWLFHSA-N 2 1 339.911 2.582 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106266295 1111260119 /nfs/dbraw/zinc/26/01/19/1111260119.db2.gz ASJQOSCVLBSJTB-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106266295 1111260122 /nfs/dbraw/zinc/26/01/22/1111260122.db2.gz ASJQOSCVLBSJTB-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479828 1111570538 /nfs/dbraw/zinc/57/05/38/1111570538.db2.gz SIFOEKLCQULHBH-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574253 1111641267 /nfs/dbraw/zinc/64/12/67/1111641267.db2.gz CZDHXVTVFUCWQE-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574250 1111641367 /nfs/dbraw/zinc/64/13/67/1111641367.db2.gz CZDHXVTVFUCWQE-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667938 1111712093 /nfs/dbraw/zinc/71/20/93/1111712093.db2.gz CYZBSDMLYOUWRA-KZNAEPCWSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310448 1112008585 /nfs/dbraw/zinc/00/85/85/1112008585.db2.gz MTOQWYQPCDQTHM-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310448 1112008588 /nfs/dbraw/zinc/00/85/88/1112008588.db2.gz MTOQWYQPCDQTHM-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310448 1112008589 /nfs/dbraw/zinc/00/85/89/1112008589.db2.gz MTOQWYQPCDQTHM-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310517 1112008878 /nfs/dbraw/zinc/00/88/78/1112008878.db2.gz ONYLFWSKNLTCKA-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310517 1112008881 /nfs/dbraw/zinc/00/88/81/1112008881.db2.gz ONYLFWSKNLTCKA-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310517 1112008885 /nfs/dbraw/zinc/00/88/85/1112008885.db2.gz ONYLFWSKNLTCKA-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310517 1112008889 /nfs/dbraw/zinc/00/88/89/1112008889.db2.gz ONYLFWSKNLTCKA-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386070 1112049540 /nfs/dbraw/zinc/04/95/40/1112049540.db2.gz MKPVWUNSFWZNKJ-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386305 1112050108 /nfs/dbraw/zinc/05/01/08/1112050108.db2.gz OHKOKHJPEXABHN-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)CC(C)(C)C1 ZINC001089410801 1112085099 /nfs/dbraw/zinc/08/50/99/1112085099.db2.gz VUCROZNUUREKBS-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(=C)C)CC(C)(C)C1 ZINC001089410801 1112085102 /nfs/dbraw/zinc/08/51/02/1112085102.db2.gz VUCROZNUUREKBS-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(=C)C)CC(C)(C)C1 ZINC001089410801 1112085105 /nfs/dbraw/zinc/08/51/05/1112085105.db2.gz VUCROZNUUREKBS-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(=C)C)CC(C)(C)C1 ZINC001089410801 1112085108 /nfs/dbraw/zinc/08/51/08/1112085108.db2.gz VUCROZNUUREKBS-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424858 1112113418 /nfs/dbraw/zinc/11/34/18/1112113418.db2.gz ZNTIVLDVMGYPLV-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424858 1112113421 /nfs/dbraw/zinc/11/34/21/1112113421.db2.gz ZNTIVLDVMGYPLV-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428499 1112119745 /nfs/dbraw/zinc/11/97/45/1112119745.db2.gz YPPXYSBLCOOIMM-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428499 1112119746 /nfs/dbraw/zinc/11/97/46/1112119746.db2.gz YPPXYSBLCOOIMM-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428499 1112119748 /nfs/dbraw/zinc/11/97/48/1112119748.db2.gz YPPXYSBLCOOIMM-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431070 1112123405 /nfs/dbraw/zinc/12/34/05/1112123405.db2.gz YEOYTKGJTHULSS-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443165 1112152292 /nfs/dbraw/zinc/15/22/92/1112152292.db2.gz YQABBZNOSNWISK-INIZCTEOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)CC(C)(C)C1 ZINC001089472660 1112193477 /nfs/dbraw/zinc/19/34/77/1112193477.db2.gz MIJUEDGWFJEGHZ-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472660 1112193479 /nfs/dbraw/zinc/19/34/79/1112193479.db2.gz MIJUEDGWFJEGHZ-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472660 1112193480 /nfs/dbraw/zinc/19/34/80/1112193480.db2.gz MIJUEDGWFJEGHZ-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)CC(C)(C)C1 ZINC001089472659 1112193547 /nfs/dbraw/zinc/19/35/47/1112193547.db2.gz MIJUEDGWFJEGHZ-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472659 1112193548 /nfs/dbraw/zinc/19/35/48/1112193548.db2.gz MIJUEDGWFJEGHZ-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472659 1112193550 /nfs/dbraw/zinc/19/35/50/1112193550.db2.gz MIJUEDGWFJEGHZ-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473519 1112200735 /nfs/dbraw/zinc/20/07/35/1112200735.db2.gz YKJYELFROZYSDK-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473519 1112200739 /nfs/dbraw/zinc/20/07/39/1112200739.db2.gz YKJYELFROZYSDK-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473519 1112200741 /nfs/dbraw/zinc/20/07/41/1112200741.db2.gz YKJYELFROZYSDK-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221503 /nfs/dbraw/zinc/22/15/03/1112221503.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221504 /nfs/dbraw/zinc/22/15/04/1112221504.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221505 /nfs/dbraw/zinc/22/15/05/1112221505.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509886 1112259984 /nfs/dbraw/zinc/25/99/84/1112259984.db2.gz KHTIORLFDUYLLB-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537446 1112276711 /nfs/dbraw/zinc/27/67/11/1112276711.db2.gz MKEDUDBNBSPKQO-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537446 1112276715 /nfs/dbraw/zinc/27/67/15/1112276715.db2.gz MKEDUDBNBSPKQO-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537446 1112276720 /nfs/dbraw/zinc/27/67/20/1112276720.db2.gz MKEDUDBNBSPKQO-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642221 1112435784 /nfs/dbraw/zinc/43/57/84/1112435784.db2.gz FNCFJLDCKTZYRE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642221 1112435787 /nfs/dbraw/zinc/43/57/87/1112435787.db2.gz FNCFJLDCKTZYRE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642221 1112435790 /nfs/dbraw/zinc/43/57/90/1112435790.db2.gz FNCFJLDCKTZYRE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650081 1112474960 /nfs/dbraw/zinc/47/49/60/1112474960.db2.gz UFKDSXJQKUGCOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089650081 1112474962 /nfs/dbraw/zinc/47/49/62/1112474962.db2.gz UFKDSXJQKUGCOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089650081 1112474965 /nfs/dbraw/zinc/47/49/65/1112474965.db2.gz UFKDSXJQKUGCOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663659 1112607302 /nfs/dbraw/zinc/60/73/02/1112607302.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663659 1112607304 /nfs/dbraw/zinc/60/73/04/1112607304.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663659 1112607305 /nfs/dbraw/zinc/60/73/05/1112607305.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001089722397 1112948391 /nfs/dbraw/zinc/94/83/91/1112948391.db2.gz YHMLSVWSTLRWGY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001089722397 1112948393 /nfs/dbraw/zinc/94/83/93/1112948393.db2.gz YHMLSVWSTLRWGY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089722397 1112948395 /nfs/dbraw/zinc/94/83/95/1112948395.db2.gz YHMLSVWSTLRWGY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089722397 1112948397 /nfs/dbraw/zinc/94/83/97/1112948397.db2.gz YHMLSVWSTLRWGY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722642 1112950444 /nfs/dbraw/zinc/95/04/44/1112950444.db2.gz BVUITVMLTHADQZ-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001089726789 1112965250 /nfs/dbraw/zinc/96/52/50/1112965250.db2.gz RBWYWIRZCCXVEL-XLIONFOSSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089726789 1112965253 /nfs/dbraw/zinc/96/52/53/1112965253.db2.gz RBWYWIRZCCXVEL-XLIONFOSSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089726789 1112965256 /nfs/dbraw/zinc/96/52/56/1112965256.db2.gz RBWYWIRZCCXVEL-XLIONFOSSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484822559 1117757615 /nfs/dbraw/zinc/75/76/15/1117757615.db2.gz GSWRDMTWBPSXOE-WOJBJXKFSA-N 2 1 343.515 2.836 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834520 1118786264 /nfs/dbraw/zinc/78/62/64/1118786264.db2.gz HSGNLWUJDFNKJW-INIZCTEOSA-N 2 1 344.503 2.506 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435469 1118803542 /nfs/dbraw/zinc/80/35/42/1118803542.db2.gz LTUIDDHQLJNPPW-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435469 1118803544 /nfs/dbraw/zinc/80/35/44/1118803544.db2.gz LTUIDDHQLJNPPW-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435469 1118803548 /nfs/dbraw/zinc/80/35/48/1118803548.db2.gz LTUIDDHQLJNPPW-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517692 1118917879 /nfs/dbraw/zinc/91/78/79/1118917879.db2.gz DTYLWGWZVAUKOM-QAPCUYQASA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518864 1118921859 /nfs/dbraw/zinc/92/18/59/1118921859.db2.gz YMHQANYLORAFSF-LRDDRELGSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518864 1118921862 /nfs/dbraw/zinc/92/18/62/1118921862.db2.gz YMHQANYLORAFSF-LRDDRELGSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942529957 1118930848 /nfs/dbraw/zinc/93/08/48/1118930848.db2.gz OFORLHKJPPXEHM-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581434 1118989621 /nfs/dbraw/zinc/98/96/21/1118989621.db2.gz GQUCUGYJQXMETL-NVXWUHKLSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942722893 1119086698 /nfs/dbraw/zinc/08/66/98/1119086698.db2.gz PQNGBDQAYXSGFI-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943288253 1119400958 /nfs/dbraw/zinc/40/09/58/1119400958.db2.gz LSWIPSFWJGFVCJ-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943288253 1119400960 /nfs/dbraw/zinc/40/09/60/1119400960.db2.gz LSWIPSFWJGFVCJ-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514428 1119529431 /nfs/dbraw/zinc/52/94/31/1119529431.db2.gz CEXPQNGMBFOXIK-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943875591 1119766105 /nfs/dbraw/zinc/76/61/05/1119766105.db2.gz FBQUSAKFGMGYPL-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875571 1119766208 /nfs/dbraw/zinc/76/62/08/1119766208.db2.gz DTGHDUHETSWDRC-VQIMIIECSA-N 2 1 338.455 2.889 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180111 1120649078 /nfs/dbraw/zinc/64/90/78/1120649078.db2.gz KOIGVJIHCICAFQ-MJGOQNOKSA-N 2 1 347.547 2.594 20 30 EFEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)nc(C)[nH+]1 ZINC000178615353 232303195 /nfs/dbraw/zinc/30/31/95/232303195.db2.gz BAJYSOAGSJNGAN-UHFFFAOYSA-N 2 1 327.457 2.785 20 30 EFEDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000181875693 234363073 /nfs/dbraw/zinc/36/30/73/234363073.db2.gz CLUHITXGSRXPJB-OXJNMPFZSA-N 2 1 338.499 2.737 20 30 EFEDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000181875693 234363075 /nfs/dbraw/zinc/36/30/75/234363075.db2.gz CLUHITXGSRXPJB-OXJNMPFZSA-N 2 1 338.499 2.737 20 30 EFEDMP CC/[NH+]=C(/N(C)C)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262483517 240357397 /nfs/dbraw/zinc/35/73/97/240357397.db2.gz SBAYHOUULVGOAT-GOBJLOIFSA-N 2 1 328.504 2.912 20 30 EFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1c(F)cccc1Cl ZINC000262569642 240358781 /nfs/dbraw/zinc/35/87/81/240358781.db2.gz MPQHAQGWUUSJPZ-UHFFFAOYSA-N 2 1 337.830 2.691 20 30 EFEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000072725496 216300590 /nfs/dbraw/zinc/30/05/90/216300590.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725496 216300593 /nfs/dbraw/zinc/30/05/93/216300593.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000072725496 216300594 /nfs/dbraw/zinc/30/05/94/216300594.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170906387 239135626 /nfs/dbraw/zinc/13/56/26/239135626.db2.gz RIVUXDMSUZJTEH-MRXNPFEDSA-N 2 1 339.443 2.654 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)c1 ZINC000170906666 239134353 /nfs/dbraw/zinc/13/43/53/239134353.db2.gz YYODKDQOEZLNBW-KRWDZBQOSA-N 2 1 339.443 2.654 20 30 EFEDMP C=CC[N@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191760367 240005724 /nfs/dbraw/zinc/00/57/24/240005724.db2.gz KZPNMPLQOZMNAF-UHFFFAOYSA-N 2 1 331.504 2.851 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000248369456 240288931 /nfs/dbraw/zinc/28/89/31/240288931.db2.gz WHDANPRKEFUCNJ-DLBZAZTESA-N 2 1 346.544 2.628 20 30 EFEDMP C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261937205 240329927 /nfs/dbraw/zinc/32/99/27/240329927.db2.gz CRINEPFXJGVLFW-SUMWQHHRSA-N 2 1 340.471 2.889 20 30 EFEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262016426 240343160 /nfs/dbraw/zinc/34/31/60/240343160.db2.gz XTVILPIYQVIBMO-GXFFZTMASA-N 2 1 326.897 2.549 20 30 EFEDMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264063812 240399917 /nfs/dbraw/zinc/39/99/17/240399917.db2.gz AIYTUYXENYMULG-IBGZPJMESA-N 2 1 328.504 2.598 20 30 EFEDMP C[C@@H](CCC#N)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298701054 241155780 /nfs/dbraw/zinc/15/57/80/241155780.db2.gz ZXSYFRBKUKLMED-AZUAARDMSA-N 2 1 326.488 2.571 20 30 EFEDMP C[C@@H](CCC#N)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298701054 241155787 /nfs/dbraw/zinc/15/57/87/241155787.db2.gz ZXSYFRBKUKLMED-AZUAARDMSA-N 2 1 326.488 2.571 20 30 EFEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329302486 241345221 /nfs/dbraw/zinc/34/52/21/241345221.db2.gz WKYVGCJGEFUVPE-INIZCTEOSA-N 2 1 347.507 2.692 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000329318838 241347411 /nfs/dbraw/zinc/34/74/11/241347411.db2.gz IIGTVFJCMFAAJL-INIZCTEOSA-N 2 1 333.480 2.610 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000329318838 241347416 /nfs/dbraw/zinc/34/74/16/241347416.db2.gz IIGTVFJCMFAAJL-INIZCTEOSA-N 2 1 333.480 2.610 20 30 EFEDMP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550101 242101315 /nfs/dbraw/zinc/10/13/15/242101315.db2.gz HHCILOQXDLHOSN-UHFFFAOYSA-N 2 1 341.499 2.680 20 30 EFEDMP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550101 242101322 /nfs/dbraw/zinc/10/13/22/242101322.db2.gz HHCILOQXDLHOSN-UHFFFAOYSA-N 2 1 341.499 2.680 20 30 EFEDMP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550101 242101324 /nfs/dbraw/zinc/10/13/24/242101324.db2.gz HHCILOQXDLHOSN-UHFFFAOYSA-N 2 1 341.499 2.680 20 30 EFEDMP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550101 242101330 /nfs/dbraw/zinc/10/13/30/242101330.db2.gz HHCILOQXDLHOSN-UHFFFAOYSA-N 2 1 341.499 2.680 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358519781 242123383 /nfs/dbraw/zinc/12/33/83/242123383.db2.gz SSHDZNCFIFNRTB-UHFFFAOYSA-N 2 1 345.512 2.979 20 30 EFEDMP CC[C@@](C)(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367593633 242385983 /nfs/dbraw/zinc/38/59/83/242385983.db2.gz ICVRGKOABDDXOL-FQEVSTJZSA-N 2 1 348.535 2.581 20 30 EFEDMP C=CCCC1(C(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)CC1 ZINC000422026520 246224858 /nfs/dbraw/zinc/22/48/58/246224858.db2.gz UXISCJFYVZJCLN-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709588 250105208 /nfs/dbraw/zinc/10/52/08/250105208.db2.gz OQZIASXRMOSJCO-XLIONFOSSA-N 2 1 326.488 2.606 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442709585 250105494 /nfs/dbraw/zinc/10/54/94/250105494.db2.gz OQZIASXRMOSJCO-PXNSSMCTSA-N 2 1 326.488 2.606 20 30 EFEDMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000450246066 251312891 /nfs/dbraw/zinc/31/28/91/251312891.db2.gz ZTRJBEDBJJMNBM-OAQYLSRUSA-N 2 1 340.515 2.939 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000344171354 145384616 /nfs/dbraw/zinc/38/46/16/145384616.db2.gz RKAAPALOSMGZQI-GOSISDBHSA-N 2 1 328.504 2.969 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117258 /nfs/dbraw/zinc/11/72/58/149117258.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117261 /nfs/dbraw/zinc/11/72/61/149117261.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117265 /nfs/dbraw/zinc/11/72/65/149117265.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272172736 266176439 /nfs/dbraw/zinc/17/64/39/266176439.db2.gz QOFHGLCPQWQHIN-UHFFFAOYSA-N 2 1 325.460 2.779 20 30 EFEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272172736 266176443 /nfs/dbraw/zinc/17/64/43/266176443.db2.gz QOFHGLCPQWQHIN-UHFFFAOYSA-N 2 1 325.460 2.779 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789948 266272760 /nfs/dbraw/zinc/27/27/60/266272760.db2.gz UIRVYOGGGSEFAJ-VQIMIIECSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789948 266272766 /nfs/dbraw/zinc/27/27/66/266272766.db2.gz UIRVYOGGGSEFAJ-VQIMIIECSA-N 2 1 345.487 2.793 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960329 267179686 /nfs/dbraw/zinc/17/96/86/267179686.db2.gz QZUKNOVCHRBMHM-MJXNMMHHSA-N 2 1 331.435 2.726 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138765 290393357 /nfs/dbraw/zinc/39/33/57/290393357.db2.gz UVHDVZLVZLPXIN-LPHOPBHVSA-N 2 1 342.487 2.698 20 30 EFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571506 473223425 /nfs/dbraw/zinc/22/34/25/473223425.db2.gz MITDOARRCVONEX-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571506 473223430 /nfs/dbraw/zinc/22/34/30/473223430.db2.gz MITDOARRCVONEX-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571506 473223434 /nfs/dbraw/zinc/22/34/34/473223434.db2.gz MITDOARRCVONEX-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633642 473236778 /nfs/dbraw/zinc/23/67/78/473236778.db2.gz JHIXFOQKNKQYQM-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633642 473236782 /nfs/dbraw/zinc/23/67/82/473236782.db2.gz JHIXFOQKNKQYQM-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633642 473236786 /nfs/dbraw/zinc/23/67/86/473236786.db2.gz JHIXFOQKNKQYQM-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031833 473316252 /nfs/dbraw/zinc/31/62/52/473316252.db2.gz FYNMSRWVRCHVPD-SJLPKXTDSA-N 2 1 344.503 2.927 20 30 EFEDMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075644983 472175881 /nfs/dbraw/zinc/17/58/81/472175881.db2.gz CDRPNOSXEGDPIW-UHFFFAOYSA-N 2 1 339.443 2.772 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860654 472209229 /nfs/dbraw/zinc/20/92/29/472209229.db2.gz ZJPNMSFPOVLHIW-QGZVFWFLSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860654 472209233 /nfs/dbraw/zinc/20/92/33/472209233.db2.gz ZJPNMSFPOVLHIW-QGZVFWFLSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860654 472209236 /nfs/dbraw/zinc/20/92/36/472209236.db2.gz ZJPNMSFPOVLHIW-QGZVFWFLSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860654 472209241 /nfs/dbraw/zinc/20/92/41/472209241.db2.gz ZJPNMSFPOVLHIW-QGZVFWFLSA-N 2 1 331.460 2.752 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000106329211 472841192 /nfs/dbraw/zinc/84/11/92/472841192.db2.gz URVBBIIGIZNUCZ-KRWDZBQOSA-N 2 1 336.524 2.591 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(CC)CC1 ZINC000106388544 472847053 /nfs/dbraw/zinc/84/70/53/472847053.db2.gz AHMDTGVJNNADOH-IBGZPJMESA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000106388544 472847061 /nfs/dbraw/zinc/84/70/61/472847061.db2.gz AHMDTGVJNNADOH-IBGZPJMESA-N 2 1 332.488 2.571 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043475 472847482 /nfs/dbraw/zinc/84/74/82/472847482.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043475 472847485 /nfs/dbraw/zinc/84/74/85/472847485.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043475 472847489 /nfs/dbraw/zinc/84/74/89/472847489.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 2 1 326.488 2.953 20 30 EFEDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(C#N)cc2OC)CC1 ZINC000158077076 472888718 /nfs/dbraw/zinc/88/87/18/472888718.db2.gz NYOOIKONWJMDME-UHFFFAOYSA-N 2 1 331.460 2.752 20 30 EFEDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(C#N)cc2OC)CC1 ZINC000158077076 472888725 /nfs/dbraw/zinc/88/87/25/472888725.db2.gz NYOOIKONWJMDME-UHFFFAOYSA-N 2 1 331.460 2.752 20 30 EFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000048783005 472909823 /nfs/dbraw/zinc/90/98/23/472909823.db2.gz HXDYLBBDUCUZSC-UHFFFAOYSA-N 2 1 334.467 2.595 20 30 EFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134860318 472978741 /nfs/dbraw/zinc/97/87/41/472978741.db2.gz SRQVQBDSIVHEMS-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134860318 472978746 /nfs/dbraw/zinc/97/87/46/472978746.db2.gz SRQVQBDSIVHEMS-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134860318 472978751 /nfs/dbraw/zinc/97/87/51/472978751.db2.gz SRQVQBDSIVHEMS-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160158007 473092378 /nfs/dbraw/zinc/09/23/78/473092378.db2.gz HBMBVPJPKBWBAI-FXRXJOCMSA-N 2 1 344.478 2.984 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+](C)C1CC1 ZINC000160713505 473165285 /nfs/dbraw/zinc/16/52/85/473165285.db2.gz MDADYSJQZZMRMZ-JTQLQIEISA-N 2 1 330.354 2.795 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000136588868 473165402 /nfs/dbraw/zinc/16/54/02/473165402.db2.gz OFUXSNRVISFXRM-PMACEKPBSA-N 2 1 342.483 2.556 20 30 EFEDMP C=CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256994 473200377 /nfs/dbraw/zinc/20/03/77/473200377.db2.gz VIVZRRYYJYXWQT-FXAWDEMLSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111257000 473200419 /nfs/dbraw/zinc/20/04/19/473200419.db2.gz VIVZRRYYJYXWQT-XLIONFOSSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256996 473200594 /nfs/dbraw/zinc/20/05/94/473200594.db2.gz VIVZRRYYJYXWQT-YLJYHZDGSA-N 2 1 341.499 2.664 20 30 EFEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087201 473439150 /nfs/dbraw/zinc/43/91/50/473439150.db2.gz SNBLWSIHGBYWAB-CYBMUJFWSA-N 2 1 343.302 2.952 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728163 473498722 /nfs/dbraw/zinc/49/87/22/473498722.db2.gz MOGXIJOXOLAPSA-RDJZCZTQSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728163 473498727 /nfs/dbraw/zinc/49/87/27/473498727.db2.gz MOGXIJOXOLAPSA-RDJZCZTQSA-N 2 1 340.471 2.739 20 30 EFEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000127644774 473635907 /nfs/dbraw/zinc/63/59/07/473635907.db2.gz LLBKRFFNFZQKOB-IBGZPJMESA-N 2 1 340.515 2.700 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193959 473646051 /nfs/dbraw/zinc/64/60/51/473646051.db2.gz WNNHFEOYNJHMNA-DNVCBOLYSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193959 473646056 /nfs/dbraw/zinc/64/60/56/473646056.db2.gz WNNHFEOYNJHMNA-DNVCBOLYSA-N 2 1 333.451 2.924 20 30 EFEDMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000192727277 473713966 /nfs/dbraw/zinc/71/39/66/473713966.db2.gz LQPLJQVSLXSDAT-UHFFFAOYSA-N 2 1 340.515 2.939 20 30 EFEDMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180026263 473779659 /nfs/dbraw/zinc/77/96/59/473779659.db2.gz YZRTYUHCBUYAPT-UHFFFAOYSA-N 2 1 325.460 2.780 20 30 EFEDMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180075537 473792489 /nfs/dbraw/zinc/79/24/89/473792489.db2.gz UTLWQYMLYUGNRA-UHFFFAOYSA-N 2 1 337.471 2.732 20 30 EFEDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269390815 473796498 /nfs/dbraw/zinc/79/64/98/473796498.db2.gz COMNEQLYMMKVAN-UHFFFAOYSA-N 2 1 327.403 2.928 20 30 EFEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180113380 473802433 /nfs/dbraw/zinc/80/24/33/473802433.db2.gz CTQFJXOXPMZMRM-QGZVFWFLSA-N 2 1 337.471 2.780 20 30 EFEDMP C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286076 473845989 /nfs/dbraw/zinc/84/59/89/473845989.db2.gz HAADMFQAQLVYPZ-KDOFPFPSSA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286076 473845997 /nfs/dbraw/zinc/84/59/97/473845997.db2.gz HAADMFQAQLVYPZ-KDOFPFPSSA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646288 473928407 /nfs/dbraw/zinc/92/84/07/473928407.db2.gz LGUMQFAESXWNHG-IERDGZPVSA-N 2 1 335.451 2.976 20 30 EFEDMP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106926 473950617 /nfs/dbraw/zinc/95/06/17/473950617.db2.gz PVYNGSGROLVFDS-MNOVXSKESA-N 2 1 329.275 2.910 20 30 EFEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)CCO1 ZINC000264132786 473952147 /nfs/dbraw/zinc/95/21/47/473952147.db2.gz YOQRJAGYDQPVTG-INIZCTEOSA-N 2 1 344.503 2.644 20 30 EFEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)CCO1 ZINC000264132786 473952156 /nfs/dbraw/zinc/95/21/56/473952156.db2.gz YOQRJAGYDQPVTG-INIZCTEOSA-N 2 1 344.503 2.644 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274784955 473957852 /nfs/dbraw/zinc/95/78/52/473957852.db2.gz ARDVYWKYDPDCRP-ICSRJNTNSA-N 2 1 343.515 2.911 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274784955 473957855 /nfs/dbraw/zinc/95/78/55/473957855.db2.gz ARDVYWKYDPDCRP-ICSRJNTNSA-N 2 1 343.515 2.911 20 30 EFEDMP C=C1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264484804 474009412 /nfs/dbraw/zinc/00/94/12/474009412.db2.gz RBRZFBKLZQZPFT-UHFFFAOYSA-N 2 1 327.472 2.551 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000270992969 474357201 /nfs/dbraw/zinc/35/72/01/474357201.db2.gz YFSVRSRAOFINOU-UHFFFAOYSA-N 2 1 344.478 2.688 20 30 EFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248758533 474428225 /nfs/dbraw/zinc/42/82/25/474428225.db2.gz DAAGJEBNWNBPPJ-AHRSYUTCSA-N 2 1 327.472 2.815 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC000290052963 474541881 /nfs/dbraw/zinc/54/18/81/474541881.db2.gz DOWQPDKIDVEOMC-IEBWSBKVSA-N 2 1 344.503 2.569 20 30 EFEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746884 474594719 /nfs/dbraw/zinc/59/47/19/474594719.db2.gz KLPGANVMBFCTIJ-SFHVURJKSA-N 2 1 344.503 2.627 20 30 EFEDMP N#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168987 474607325 /nfs/dbraw/zinc/60/73/25/474607325.db2.gz HPTKNGAEFHKHMU-QFBILLFUSA-N 2 1 341.480 2.592 20 30 EFEDMP N#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168987 474607329 /nfs/dbraw/zinc/60/73/29/474607329.db2.gz HPTKNGAEFHKHMU-QFBILLFUSA-N 2 1 341.480 2.592 20 30 EFEDMP N#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168989 474607786 /nfs/dbraw/zinc/60/77/86/474607786.db2.gz HPTKNGAEFHKHMU-VQIMIIECSA-N 2 1 341.480 2.592 20 30 EFEDMP N#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168989 474607792 /nfs/dbraw/zinc/60/77/92/474607792.db2.gz HPTKNGAEFHKHMU-VQIMIIECSA-N 2 1 341.480 2.592 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285424143 475015227 /nfs/dbraw/zinc/01/52/27/475015227.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 2 1 329.444 2.503 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285424143 475015242 /nfs/dbraw/zinc/01/52/42/475015242.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 2 1 329.444 2.503 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285424143 475015247 /nfs/dbraw/zinc/01/52/47/475015247.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 2 1 329.444 2.503 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285424143 475015255 /nfs/dbraw/zinc/01/52/55/475015255.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 2 1 329.444 2.503 20 30 EFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285991243 475047617 /nfs/dbraw/zinc/04/76/17/475047617.db2.gz IDQFUJJGYKQOQY-INIZCTEOSA-N 2 1 337.471 2.958 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000294868745 475088465 /nfs/dbraw/zinc/08/84/65/475088465.db2.gz CLIUGPVLVSYVMX-MRXNPFEDSA-N 2 1 330.476 2.822 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000294868745 475088472 /nfs/dbraw/zinc/08/84/72/475088472.db2.gz CLIUGPVLVSYVMX-MRXNPFEDSA-N 2 1 330.476 2.822 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000294937856 475094331 /nfs/dbraw/zinc/09/43/31/475094331.db2.gz HUDJDLOKZUXYQT-CYBMUJFWSA-N 2 1 326.387 2.902 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000294937856 475094336 /nfs/dbraw/zinc/09/43/36/475094336.db2.gz HUDJDLOKZUXYQT-CYBMUJFWSA-N 2 1 326.387 2.902 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000295066109 475102252 /nfs/dbraw/zinc/10/22/52/475102252.db2.gz ROCILGKPNMYLMY-NSHDSACASA-N 2 1 328.229 2.589 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000295123546 475106241 /nfs/dbraw/zinc/10/62/41/475106241.db2.gz YXNHIMWCUNMKFL-UHFFFAOYSA-N 2 1 333.907 2.849 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000295123546 475106250 /nfs/dbraw/zinc/10/62/50/475106250.db2.gz YXNHIMWCUNMKFL-UHFFFAOYSA-N 2 1 333.907 2.849 20 30 EFEDMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@@H+]1C ZINC000329908883 475159860 /nfs/dbraw/zinc/15/98/60/475159860.db2.gz UQIKCWFVIXEWFZ-NEPJUHHUSA-N 2 1 349.385 2.992 20 30 EFEDMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@H+]1C ZINC000329908883 475159870 /nfs/dbraw/zinc/15/98/70/475159870.db2.gz UQIKCWFVIXEWFZ-NEPJUHHUSA-N 2 1 349.385 2.992 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000330098728 475197675 /nfs/dbraw/zinc/19/76/75/475197675.db2.gz ZEISGVWLXVPTNC-QGZVFWFLSA-N 2 1 345.491 2.752 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000330098728 475197682 /nfs/dbraw/zinc/19/76/82/475197682.db2.gz ZEISGVWLXVPTNC-QGZVFWFLSA-N 2 1 345.491 2.752 20 30 EFEDMP C[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000330214499 475213295 /nfs/dbraw/zinc/21/32/95/475213295.db2.gz LTEYZTVPIOKGMD-UHFFFAOYSA-N 2 1 335.358 2.604 20 30 EFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345958703 475547888 /nfs/dbraw/zinc/54/78/88/475547888.db2.gz XPBOUPHIEHXOKR-IRXDYDNUSA-N 2 1 337.508 2.516 20 30 EFEDMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654591 /nfs/dbraw/zinc/65/45/91/475654591.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 1 337.427 2.524 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000344310525 476240263 /nfs/dbraw/zinc/24/02/63/476240263.db2.gz OCWCKEMMXNORSD-UHFFFAOYSA-N 2 1 325.412 2.916 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430583440 476869483 /nfs/dbraw/zinc/86/94/83/476869483.db2.gz SFNGNJIJZBBTDH-PMPSAXMXSA-N 2 1 335.517 2.710 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430583440 476869488 /nfs/dbraw/zinc/86/94/88/476869488.db2.gz SFNGNJIJZBBTDH-PMPSAXMXSA-N 2 1 335.517 2.710 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430594748 476874782 /nfs/dbraw/zinc/87/47/82/476874782.db2.gz SGXCMHVMJJQSEB-DOTOQJQBSA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430594748 476874789 /nfs/dbraw/zinc/87/47/89/476874789.db2.gz SGXCMHVMJJQSEB-DOTOQJQBSA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430594758 476875035 /nfs/dbraw/zinc/87/50/35/476875035.db2.gz SGXCMHVMJJQSEB-WBVHZDCISA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430594758 476875040 /nfs/dbraw/zinc/87/50/40/476875040.db2.gz SGXCMHVMJJQSEB-WBVHZDCISA-N 2 1 337.533 2.956 20 30 EFEDMP CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422979200 476876300 /nfs/dbraw/zinc/87/63/00/476876300.db2.gz LVZFETJEQXFNKE-NXHRZFHOSA-N 2 1 330.451 2.786 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370651481 476916150 /nfs/dbraw/zinc/91/61/50/476916150.db2.gz QIABBXQQGCPIAJ-GOSISDBHSA-N 2 1 341.499 2.665 20 30 EFEDMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000370704679 476943401 /nfs/dbraw/zinc/94/34/01/476943401.db2.gz ANYWGQSTIQGHAY-UHFFFAOYSA-N 2 1 346.500 2.756 20 30 EFEDMP C[C@@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000423351338 477002609 /nfs/dbraw/zinc/00/26/09/477002609.db2.gz YVDIHGYSEGSAEB-HXUWFJFHSA-N 3 1 326.488 2.502 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371336178 477252752 /nfs/dbraw/zinc/25/27/52/477252752.db2.gz NYJZRCKZVRUCMW-FQEVSTJZSA-N 2 1 343.515 2.852 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142475 477306099 /nfs/dbraw/zinc/30/60/99/477306099.db2.gz YHJQCOMXABQZTJ-QFBILLFUSA-N 2 1 342.487 2.556 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420328886 477698928 /nfs/dbraw/zinc/69/89/28/477698928.db2.gz NHIRRSAGIUTXMK-ROUUACIJSA-N 2 1 329.488 2.795 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000421362532 478054299 /nfs/dbraw/zinc/05/42/99/478054299.db2.gz JHHVFQMWPHVWBP-MOPGFXCFSA-N 2 1 331.435 2.555 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429527666 478147451 /nfs/dbraw/zinc/14/74/51/478147451.db2.gz KIPAASAHSLCOKC-RTBURBONSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429527666 478147456 /nfs/dbraw/zinc/14/74/56/478147456.db2.gz KIPAASAHSLCOKC-RTBURBONSA-N 2 1 332.488 2.571 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000525886004 478398070 /nfs/dbraw/zinc/39/80/70/478398070.db2.gz CEAJLWJXMNUQAM-SFHVURJKSA-N 2 1 346.906 2.812 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000525886004 478398078 /nfs/dbraw/zinc/39/80/78/478398078.db2.gz CEAJLWJXMNUQAM-SFHVURJKSA-N 2 1 346.906 2.812 20 30 EFEDMP C=C[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000570813021 478453101 /nfs/dbraw/zinc/45/31/01/478453101.db2.gz CPNVQZZLWHYJHA-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000582960575 478729437 /nfs/dbraw/zinc/72/94/37/478729437.db2.gz ZRCBNDFWHSICET-MHJFOBGBSA-N 2 1 344.499 2.761 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598606951 478923563 /nfs/dbraw/zinc/92/35/63/478923563.db2.gz HBSIKBDGRUMLCY-BHIYHBOVSA-N 2 1 329.488 2.787 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000583867020 478958860 /nfs/dbraw/zinc/95/88/60/478958860.db2.gz PISHPYNDHHRABA-IBGZPJMESA-N 2 1 332.488 2.673 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565489267 479020249 /nfs/dbraw/zinc/02/02/49/479020249.db2.gz REKVKQXEUYILCV-IBGZPJMESA-N 2 1 341.499 2.665 20 30 EFEDMP N#CC1CCC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601963721 479097694 /nfs/dbraw/zinc/09/76/94/479097694.db2.gz FWAKJGFTEXNEPJ-AFMYVXGZSA-N 2 1 327.472 2.543 20 30 EFEDMP N#CC1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601963721 479097698 /nfs/dbraw/zinc/09/76/98/479097698.db2.gz FWAKJGFTEXNEPJ-AFMYVXGZSA-N 2 1 327.472 2.543 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963105 479098047 /nfs/dbraw/zinc/09/80/47/479098047.db2.gz BXUGEDALNOUDTO-VXKWHMMOSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963105 479098050 /nfs/dbraw/zinc/09/80/50/479098050.db2.gz BXUGEDALNOUDTO-VXKWHMMOSA-N 2 1 347.462 2.772 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569594469 479145552 /nfs/dbraw/zinc/14/55/52/479145552.db2.gz BULCKLOYOYBVED-KRWDZBQOSA-N 2 1 342.405 2.849 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000584585824 479187008 /nfs/dbraw/zinc/18/70/08/479187008.db2.gz ZAUBKWKVVDPGER-IBGZPJMESA-N 2 1 332.488 2.673 20 30 EFEDMP Cc1cc(CO)cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH+]1 ZINC000596294728 479243202 /nfs/dbraw/zinc/24/32/02/479243202.db2.gz JVYXNVOXGZIUTE-UHFFFAOYSA-N 2 1 336.439 2.831 20 30 EFEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000611392870 479367258 /nfs/dbraw/zinc/36/72/58/479367258.db2.gz RJAVYUVVVMRPBE-AZUAARDMSA-N 2 1 327.472 2.762 20 30 EFEDMP C[C@@H](CCC#N)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000602508244 479373378 /nfs/dbraw/zinc/37/33/78/479373378.db2.gz LJVYQVFPWJSNPU-ICSRJNTNSA-N 2 1 328.504 2.895 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602515800 479377489 /nfs/dbraw/zinc/37/74/89/479377489.db2.gz YDRLTVCMOPZVFU-GOSISDBHSA-N 2 1 328.504 2.854 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000611438443 479380340 /nfs/dbraw/zinc/38/03/40/479380340.db2.gz LJDABLJPSSHTGJ-OAQYLSRUSA-N 2 1 338.499 2.597 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000611438443 479380346 /nfs/dbraw/zinc/38/03/46/479380346.db2.gz LJDABLJPSSHTGJ-OAQYLSRUSA-N 2 1 338.499 2.597 20 30 EFEDMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602571259 479402349 /nfs/dbraw/zinc/40/23/49/479402349.db2.gz GUPGQNDWKOQIGM-KRWDZBQOSA-N 2 1 337.508 2.564 20 30 EFEDMP C[C@@H](CCC#N)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602660519 479454506 /nfs/dbraw/zinc/45/45/06/479454506.db2.gz DWMXHGLWDAWLDP-IBGZPJMESA-N 2 1 328.504 2.676 20 30 EFEDMP C[C@H](CCC#N)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665647 479460792 /nfs/dbraw/zinc/46/07/92/479460792.db2.gz WNTAIQUQIIKZQJ-TZIWHRDSSA-N 2 1 340.515 2.818 20 30 EFEDMP COc1cc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)sn1 ZINC000602708978 479493069 /nfs/dbraw/zinc/49/30/69/479493069.db2.gz ZWAILIHZCZGXLT-UHFFFAOYSA-N 2 1 342.468 2.778 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000618561372 479493318 /nfs/dbraw/zinc/49/33/18/479493318.db2.gz BDOGWPDGCQXOCU-IXDOHACOSA-N 2 1 332.517 2.709 20 30 EFEDMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000593912126 479505525 /nfs/dbraw/zinc/50/55/25/479505525.db2.gz ASUGCZJKXMJGRK-IMBTUZDBSA-N 2 1 342.487 2.517 20 30 EFEDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000619673847 479854078 /nfs/dbraw/zinc/85/40/78/479854078.db2.gz OGSZLZSBHJEVOG-IBGZPJMESA-N 2 1 326.488 2.551 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000644549132 480432706 /nfs/dbraw/zinc/43/27/06/480432706.db2.gz ZMOGBRKWYMYGIO-QGZVFWFLSA-N 2 1 343.471 2.538 20 30 EFEDMP C=CC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242511 482387571 /nfs/dbraw/zinc/38/75/71/482387571.db2.gz BLYYGOYZHJXGTG-SJORKVTESA-N 2 1 331.460 2.537 20 30 EFEDMP CCC[N@@H+](CC)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181849195 521608520 /nfs/dbraw/zinc/60/85/20/521608520.db2.gz GGZPVZNJGHEWFV-UHFFFAOYSA-N 2 1 328.504 2.844 20 30 EFEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534857 524736264 /nfs/dbraw/zinc/73/62/64/524736264.db2.gz RTQQTARAIMTCOD-SFHVURJKSA-N 2 1 340.515 2.844 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000177914593 526602493 /nfs/dbraw/zinc/60/24/93/526602493.db2.gz VVKCRZINLNPJER-UHFFFAOYSA-N 2 1 328.504 2.676 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000152953508 526603040 /nfs/dbraw/zinc/60/30/40/526603040.db2.gz XNXGAFQYPKJBJD-UHFFFAOYSA-N 2 1 331.460 2.514 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000181155559 528664818 /nfs/dbraw/zinc/66/48/18/528664818.db2.gz BEUPYTQVAVMCBO-YLJYHZDGSA-N 2 1 345.487 2.664 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655688411 546533928 /nfs/dbraw/zinc/53/39/28/546533928.db2.gz ZYYKKIKMUJAHBN-UXHICEINSA-N 2 1 335.536 2.528 20 30 EFEDMP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C[N@@H+](Cc2ccccc2)C1 ZINC000767388989 577207056 /nfs/dbraw/zinc/20/70/56/577207056.db2.gz ZFQNFYMFIGKOTJ-LZQZEXGQSA-N 2 1 339.487 2.744 20 30 EFEDMP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C[N@H+](Cc2ccccc2)C1 ZINC000767388989 577207057 /nfs/dbraw/zinc/20/70/57/577207057.db2.gz ZFQNFYMFIGKOTJ-LZQZEXGQSA-N 2 1 339.487 2.744 20 30 EFEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752211342 1249360307 /nfs/dbraw/zinc/36/03/07/1249360307.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 2 1 327.488 2.603 20 30 EFEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752211342 1249360311 /nfs/dbraw/zinc/36/03/11/1249360311.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 2 1 327.488 2.603 20 30 EFEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752211342 1249360315 /nfs/dbraw/zinc/36/03/15/1249360315.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 2 1 327.488 2.603 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001752707222 1250832424 /nfs/dbraw/zinc/83/24/24/1250832424.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707222 1250832440 /nfs/dbraw/zinc/83/24/40/1250832440.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707222 1250832454 /nfs/dbraw/zinc/83/24/54/1250832454.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925775 1251377120 /nfs/dbraw/zinc/37/71/20/1251377120.db2.gz PWVDWGJCFDYRDX-RBUKOAKNSA-N 2 1 342.487 2.521 20 30 EFEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685868 1252171922 /nfs/dbraw/zinc/17/19/22/1252171922.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685868 1252171934 /nfs/dbraw/zinc/17/19/34/1252171934.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685868 1252171937 /nfs/dbraw/zinc/17/19/37/1252171937.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687026 1252179327 /nfs/dbraw/zinc/17/93/27/1252179327.db2.gz CMBJJCFSHFYTDN-QGZVFWFLSA-N 2 1 345.487 2.585 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687026 1252179337 /nfs/dbraw/zinc/17/93/37/1252179337.db2.gz CMBJJCFSHFYTDN-QGZVFWFLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689117 1252200685 /nfs/dbraw/zinc/20/06/85/1252200685.db2.gz AQZWLDKSDKPDIJ-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690775 1252224518 /nfs/dbraw/zinc/22/45/18/1252224518.db2.gz FCWKCQRBBADVFO-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690775 1252224528 /nfs/dbraw/zinc/22/45/28/1252224528.db2.gz FCWKCQRBBADVFO-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690773 1252225274 /nfs/dbraw/zinc/22/52/74/1252225274.db2.gz FCWKCQRBBADVFO-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690773 1252225285 /nfs/dbraw/zinc/22/52/85/1252225285.db2.gz FCWKCQRBBADVFO-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC=C)CC1 ZINC001089735904 1252342082 /nfs/dbraw/zinc/34/20/82/1252342082.db2.gz QMQPLNUCPMJTEF-LJQANCHMSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332459 1253180365 /nfs/dbraw/zinc/18/03/65/1253180365.db2.gz CGBABADETGRPFE-SJLPKXTDSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945333736 1253183241 /nfs/dbraw/zinc/18/32/41/1253183241.db2.gz KIFFWXULDXNFKB-RDJZCZTQSA-N 2 1 333.476 2.748 20 30 EFEDMP C[NH+]=C(NCCc1csc2ccccc12)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083128850 1253490270 /nfs/dbraw/zinc/49/02/70/1253490270.db2.gz FLCSUFROPJCVGA-OAHLLOKOSA-N 2 1 342.512 2.846 20 30 EFEDMP C[NH+]=C(NCCc1csc2ccccc12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083128850 1253490274 /nfs/dbraw/zinc/49/02/74/1253490274.db2.gz FLCSUFROPJCVGA-OAHLLOKOSA-N 2 1 342.512 2.846 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583494 1254467050 /nfs/dbraw/zinc/46/70/50/1254467050.db2.gz SITRJKCIHLCDKI-MRXNPFEDSA-N 2 1 339.911 2.680 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190643 1255065489 /nfs/dbraw/zinc/06/54/89/1255065489.db2.gz MJVXNZQFCYCQLC-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996667845 1255689167 /nfs/dbraw/zinc/68/91/67/1255689167.db2.gz FHEILJAVQUYSAZ-QGZVFWFLSA-N 2 1 339.911 2.727 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000996685186 1255742679 /nfs/dbraw/zinc/74/26/79/1255742679.db2.gz NBDKVZBNOAZDQJ-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000996685186 1255742685 /nfs/dbraw/zinc/74/26/85/1255742685.db2.gz NBDKVZBNOAZDQJ-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107409327 1255757871 /nfs/dbraw/zinc/75/78/71/1255757871.db2.gz QBFGXGUBRBPBAI-WIYYLYMNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435817 1255811993 /nfs/dbraw/zinc/81/19/93/1255811993.db2.gz BHDCFGKXAFAHRT-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435817 1255812011 /nfs/dbraw/zinc/81/20/11/1255812011.db2.gz BHDCFGKXAFAHRT-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435817 1255812023 /nfs/dbraw/zinc/81/20/23/1255812023.db2.gz BHDCFGKXAFAHRT-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436154 1255812311 /nfs/dbraw/zinc/81/23/11/1255812311.db2.gz OGWAISOWCQCEJH-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436154 1255812326 /nfs/dbraw/zinc/81/23/26/1255812326.db2.gz OGWAISOWCQCEJH-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436154 1255812336 /nfs/dbraw/zinc/81/23/36/1255812336.db2.gz OGWAISOWCQCEJH-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098820236 1255817639 /nfs/dbraw/zinc/81/76/39/1255817639.db2.gz HBPKKRDGEUCTJG-ICSRJNTNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCC)CC2 ZINC001107440947 1255828274 /nfs/dbraw/zinc/82/82/74/1255828274.db2.gz CWXYSBRCZAILRM-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCC)CC2 ZINC001107440947 1255828290 /nfs/dbraw/zinc/82/82/90/1255828290.db2.gz CWXYSBRCZAILRM-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCC)CC2 ZINC001107440947 1255828304 /nfs/dbraw/zinc/82/83/04/1255828304.db2.gz CWXYSBRCZAILRM-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCC)CC2 ZINC001107440947 1255828315 /nfs/dbraw/zinc/82/83/15/1255828315.db2.gz CWXYSBRCZAILRM-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442610 1255832031 /nfs/dbraw/zinc/83/20/31/1255832031.db2.gz GMGKXYCTZGAQIQ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442610 1255832046 /nfs/dbraw/zinc/83/20/46/1255832046.db2.gz GMGKXYCTZGAQIQ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442610 1255832059 /nfs/dbraw/zinc/83/20/59/1255832059.db2.gz GMGKXYCTZGAQIQ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485109 1255951821 /nfs/dbraw/zinc/95/18/21/1255951821.db2.gz KDEGPTRIBQAOFE-SFHLNBCPSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107533990 1256069875 /nfs/dbraw/zinc/06/98/75/1256069875.db2.gz QVSSYCFWAUNOHV-QWFCFKBJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546688 1256104728 /nfs/dbraw/zinc/10/47/28/1256104728.db2.gz LTDNOZCYZGSGQR-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563921 1256130933 /nfs/dbraw/zinc/13/09/33/1256130933.db2.gz BBJCZUJDSMDQNN-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563921 1256130937 /nfs/dbraw/zinc/13/09/37/1256130937.db2.gz BBJCZUJDSMDQNN-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564192 1256149030 /nfs/dbraw/zinc/14/90/30/1256149030.db2.gz MEPITBCGJCVGPU-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564192 1256149033 /nfs/dbraw/zinc/14/90/33/1256149033.db2.gz MEPITBCGJCVGPU-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609264 1256287533 /nfs/dbraw/zinc/28/75/33/1256287533.db2.gz LNLMIFLOIQTYTL-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609264 1256287537 /nfs/dbraw/zinc/28/75/37/1256287537.db2.gz LNLMIFLOIQTYTL-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609264 1256287538 /nfs/dbraw/zinc/28/75/38/1256287538.db2.gz LNLMIFLOIQTYTL-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635578 1256333475 /nfs/dbraw/zinc/33/34/75/1256333475.db2.gz SCKDDUYKUMKTCQ-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635578 1256333480 /nfs/dbraw/zinc/33/34/80/1256333480.db2.gz SCKDDUYKUMKTCQ-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646736 1256371647 /nfs/dbraw/zinc/37/16/47/1256371647.db2.gz TUFZQMUBOBRIQU-SVFBPWRDSA-N 2 1 341.499 2.836 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646736 1256371655 /nfs/dbraw/zinc/37/16/55/1256371655.db2.gz TUFZQMUBOBRIQU-SVFBPWRDSA-N 2 1 341.499 2.836 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646736 1256371661 /nfs/dbraw/zinc/37/16/61/1256371661.db2.gz TUFZQMUBOBRIQU-SVFBPWRDSA-N 2 1 341.499 2.836 20 30 EFEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997140819 1257055114 /nfs/dbraw/zinc/05/51/14/1257055114.db2.gz WRTGUVIGHZWJCH-XLIONFOSSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406096 1257125980 /nfs/dbraw/zinc/12/59/80/1257125980.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406096 1257125984 /nfs/dbraw/zinc/12/59/84/1257125984.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406096 1257125988 /nfs/dbraw/zinc/12/59/88/1257125988.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997298592 1257368253 /nfs/dbraw/zinc/36/82/53/1257368253.db2.gz RHVAKYCYHUFSTM-CRAIPNDOSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538872 1258267125 /nfs/dbraw/zinc/26/71/25/1258267125.db2.gz WOWABOIHWDFOOO-OALUTQOASA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997736863 1258327780 /nfs/dbraw/zinc/32/77/80/1258327780.db2.gz XQFAHDSZGPFJKU-YJBOKZPZSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001112539954 1258650373 /nfs/dbraw/zinc/65/03/73/1258650373.db2.gz YSTSXNYRVKVMIC-PXNSSMCTSA-N 2 1 344.503 2.801 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005618 1258934961 /nfs/dbraw/zinc/93/49/61/1258934961.db2.gz QTCSENBYWXAFMT-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005618 1258934968 /nfs/dbraw/zinc/93/49/68/1258934968.db2.gz QTCSENBYWXAFMT-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005618 1258934976 /nfs/dbraw/zinc/93/49/76/1258934976.db2.gz QTCSENBYWXAFMT-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006668 1258937941 /nfs/dbraw/zinc/93/79/41/1258937941.db2.gz LTTYMORXGRNPGH-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020289 1258971146 /nfs/dbraw/zinc/97/11/46/1258971146.db2.gz CDWQENZQGHARQI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020289 1258971148 /nfs/dbraw/zinc/97/11/48/1258971148.db2.gz CDWQENZQGHARQI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020289 1258971153 /nfs/dbraw/zinc/97/11/53/1258971153.db2.gz CDWQENZQGHARQI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021702 1258974764 /nfs/dbraw/zinc/97/47/64/1258974764.db2.gz HBZPOMDEXLYVMM-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998021702 1258974772 /nfs/dbraw/zinc/97/47/72/1258974772.db2.gz HBZPOMDEXLYVMM-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021702 1258974776 /nfs/dbraw/zinc/97/47/76/1258974776.db2.gz HBZPOMDEXLYVMM-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031377 1258988145 /nfs/dbraw/zinc/98/81/45/1258988145.db2.gz PJAWDEHKWUGHIX-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031377 1258988147 /nfs/dbraw/zinc/98/81/47/1258988147.db2.gz PJAWDEHKWUGHIX-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043771 1259009386 /nfs/dbraw/zinc/00/93/86/1259009386.db2.gz BGHQFQCOFYFDQG-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043771 1259009390 /nfs/dbraw/zinc/00/93/90/1259009390.db2.gz BGHQFQCOFYFDQG-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998090845 1259097222 /nfs/dbraw/zinc/09/72/22/1259097222.db2.gz BOAYRVNPUYPUPE-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090845 1259097231 /nfs/dbraw/zinc/09/72/31/1259097231.db2.gz BOAYRVNPUYPUPE-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090845 1259097238 /nfs/dbraw/zinc/09/72/38/1259097238.db2.gz BOAYRVNPUYPUPE-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998098276 1259107343 /nfs/dbraw/zinc/10/73/43/1259107343.db2.gz OJWIVPWRFPADEL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998098276 1259107349 /nfs/dbraw/zinc/10/73/49/1259107349.db2.gz OJWIVPWRFPADEL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998098276 1259107356 /nfs/dbraw/zinc/10/73/56/1259107356.db2.gz OJWIVPWRFPADEL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102191 1259113524 /nfs/dbraw/zinc/11/35/24/1259113524.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102191 1259113526 /nfs/dbraw/zinc/11/35/26/1259113526.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102191 1259113530 /nfs/dbraw/zinc/11/35/30/1259113530.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998162030 1259175228 /nfs/dbraw/zinc/17/52/28/1259175228.db2.gz AFNZYPIIVAOCTO-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998176081 1259195701 /nfs/dbraw/zinc/19/57/01/1259195701.db2.gz HMZVFJBEFNQJET-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998901549 1260072068 /nfs/dbraw/zinc/07/20/68/1260072068.db2.gz MXGKBFUCNUFUOI-PCKAHOCUSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999159378 1260266657 /nfs/dbraw/zinc/26/66/57/1260266657.db2.gz ADMJINWJSUZVOQ-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999199286 1260344547 /nfs/dbraw/zinc/34/45/47/1260344547.db2.gz FWZWGDIJGDEIOR-LSDHHAIUSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999555015 1260732181 /nfs/dbraw/zinc/73/21/81/1260732181.db2.gz FWXMWXWKBOEHHX-OAHLLOKOSA-N 2 1 341.927 2.973 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023146 1261281959 /nfs/dbraw/zinc/28/19/59/1261281959.db2.gz UCUSUWXXMSURSM-IEBWSBKVSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902715 1261691113 /nfs/dbraw/zinc/69/11/13/1261691113.db2.gz WMSYODZVQGGGRK-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902715 1261691118 /nfs/dbraw/zinc/69/11/18/1261691118.db2.gz WMSYODZVQGGGRK-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902715 1261691126 /nfs/dbraw/zinc/69/11/26/1261691126.db2.gz WMSYODZVQGGGRK-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739856 1262284956 /nfs/dbraw/zinc/28/49/56/1262284956.db2.gz RSUHPYANYDPBIU-CVEARBPZSA-N 2 1 330.476 2.600 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084600867 1264065520 /nfs/dbraw/zinc/06/55/20/1264065520.db2.gz IATXMYKFWXUEFH-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084600867 1264065525 /nfs/dbraw/zinc/06/55/25/1264065525.db2.gz IATXMYKFWXUEFH-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084600867 1264065531 /nfs/dbraw/zinc/06/55/31/1264065531.db2.gz IATXMYKFWXUEFH-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694728 1264232421 /nfs/dbraw/zinc/23/24/21/1264232421.db2.gz QKBBIDPEOIQAAS-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694728 1264232425 /nfs/dbraw/zinc/23/24/25/1264232425.db2.gz QKBBIDPEOIQAAS-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700645 1264243132 /nfs/dbraw/zinc/24/31/32/1264243132.db2.gz RRXJFGQQHRYVAM-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700645 1264243140 /nfs/dbraw/zinc/24/31/40/1264243140.db2.gz RRXJFGQQHRYVAM-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700289 1264243933 /nfs/dbraw/zinc/24/39/33/1264243933.db2.gz AASFBFOKDRUMSE-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700289 1264243942 /nfs/dbraw/zinc/24/39/42/1264243942.db2.gz AASFBFOKDRUMSE-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001003056380 1264534905 /nfs/dbraw/zinc/53/49/05/1264534905.db2.gz QSQMVBUYXKKASH-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001003056380 1264534907 /nfs/dbraw/zinc/53/49/07/1264534907.db2.gz QSQMVBUYXKKASH-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853539 1264539661 /nfs/dbraw/zinc/53/96/61/1264539661.db2.gz XWNNQIPDFLXWJJ-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049705 1265030053 /nfs/dbraw/zinc/03/00/53/1265030053.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049705 1265030059 /nfs/dbraw/zinc/03/00/59/1265030059.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049705 1265030064 /nfs/dbraw/zinc/03/00/64/1265030064.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735938 1265111697 /nfs/dbraw/zinc/11/16/97/1265111697.db2.gz NJYZWRNYPIOEOX-OAHLLOKOSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101204 1265143518 /nfs/dbraw/zinc/14/35/18/1265143518.db2.gz GIRCLOQTAWCABE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101423 1265144656 /nfs/dbraw/zinc/14/46/56/1265144656.db2.gz JPESGIGNLRWORY-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083105 1266451298 /nfs/dbraw/zinc/45/12/98/1266451298.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083105 1266451300 /nfs/dbraw/zinc/45/13/00/1266451300.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083105 1266451304 /nfs/dbraw/zinc/45/13/04/1266451304.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C2([NH3+])CCC2)cc1 ZINC001171069261 1278295714 /nfs/dbraw/zinc/29/57/14/1278295714.db2.gz FEHVSDHFYFFERH-KRWDZBQOSA-N 2 1 331.460 2.663 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004444629 1267015967 /nfs/dbraw/zinc/01/59/67/1267015967.db2.gz YZULDHBJGJHRIZ-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004444629 1267015977 /nfs/dbraw/zinc/01/59/77/1267015977.db2.gz YZULDHBJGJHRIZ-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004444629 1267015990 /nfs/dbraw/zinc/01/59/90/1267015990.db2.gz YZULDHBJGJHRIZ-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004446164 1267021008 /nfs/dbraw/zinc/02/10/08/1267021008.db2.gz CUSPMZNPIHVAIN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004446164 1267021021 /nfs/dbraw/zinc/02/10/21/1267021021.db2.gz CUSPMZNPIHVAIN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004446164 1267021030 /nfs/dbraw/zinc/02/10/30/1267021030.db2.gz CUSPMZNPIHVAIN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004448786 1267030974 /nfs/dbraw/zinc/03/09/74/1267030974.db2.gz FRALDRAZECBONO-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004448786 1267030980 /nfs/dbraw/zinc/03/09/80/1267030980.db2.gz FRALDRAZECBONO-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004448786 1267030988 /nfs/dbraw/zinc/03/09/88/1267030988.db2.gz FRALDRAZECBONO-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456326 1267083722 /nfs/dbraw/zinc/08/37/22/1267083722.db2.gz DLUMMOMSMFJEKK-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004463429 1267088856 /nfs/dbraw/zinc/08/88/56/1267088856.db2.gz KCTWHRCAWFELPB-OALUTQOASA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004459431 1267098312 /nfs/dbraw/zinc/09/83/12/1267098312.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459431 1267098324 /nfs/dbraw/zinc/09/83/24/1267098324.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459431 1267098336 /nfs/dbraw/zinc/09/83/36/1267098336.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004460536 1267100354 /nfs/dbraw/zinc/10/03/54/1267100354.db2.gz ZUDDLZZVYYIJOA-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460536 1267100358 /nfs/dbraw/zinc/10/03/58/1267100358.db2.gz ZUDDLZZVYYIJOA-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460536 1267100362 /nfs/dbraw/zinc/10/03/62/1267100362.db2.gz ZUDDLZZVYYIJOA-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004483342 1267149858 /nfs/dbraw/zinc/14/98/58/1267149858.db2.gz HPJJZPPCRBFJLQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004483342 1267149863 /nfs/dbraw/zinc/14/98/63/1267149863.db2.gz HPJJZPPCRBFJLQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154784888 1267207057 /nfs/dbraw/zinc/20/70/57/1267207057.db2.gz OTPQQXZUOHVQOQ-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154784888 1267207067 /nfs/dbraw/zinc/20/70/67/1267207067.db2.gz OTPQQXZUOHVQOQ-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784888 1267207077 /nfs/dbraw/zinc/20/70/77/1267207077.db2.gz OTPQQXZUOHVQOQ-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784888 1267207087 /nfs/dbraw/zinc/20/70/87/1267207087.db2.gz OTPQQXZUOHVQOQ-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004509845 1267207774 /nfs/dbraw/zinc/20/77/74/1267207774.db2.gz ZKSZFAGYMUCPIH-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623698 1267218486 /nfs/dbraw/zinc/21/84/86/1267218486.db2.gz NHQUNLJPSUGROD-KSZLIROESA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623698 1267218495 /nfs/dbraw/zinc/21/84/95/1267218495.db2.gz NHQUNLJPSUGROD-KSZLIROESA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623776 1267219368 /nfs/dbraw/zinc/21/93/68/1267219368.db2.gz QTWSGHVGZAQFJN-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623776 1267219370 /nfs/dbraw/zinc/21/93/70/1267219370.db2.gz QTWSGHVGZAQFJN-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623776 1267219378 /nfs/dbraw/zinc/21/93/78/1267219378.db2.gz QTWSGHVGZAQFJN-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275360 /nfs/dbraw/zinc/27/53/60/1267275360.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275367 /nfs/dbraw/zinc/27/53/67/1267275367.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275377 /nfs/dbraw/zinc/27/53/77/1267275377.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001171069911 1278319161 /nfs/dbraw/zinc/31/91/61/1278319161.db2.gz RQVOHIJXENVQJN-ZWKOTPCHSA-N 2 1 331.460 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595430 1267361511 /nfs/dbraw/zinc/36/15/11/1267361511.db2.gz HCROAUGUCKDRQK-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595430 1267361521 /nfs/dbraw/zinc/36/15/21/1267361521.db2.gz HCROAUGUCKDRQK-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595430 1267361529 /nfs/dbraw/zinc/36/15/29/1267361529.db2.gz HCROAUGUCKDRQK-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595370 1267362000 /nfs/dbraw/zinc/36/20/00/1267362000.db2.gz GCHAAKCEKDNAHN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595370 1267362010 /nfs/dbraw/zinc/36/20/10/1267362010.db2.gz GCHAAKCEKDNAHN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595370 1267362016 /nfs/dbraw/zinc/36/20/16/1267362016.db2.gz GCHAAKCEKDNAHN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148089 1267398139 /nfs/dbraw/zinc/39/81/39/1267398139.db2.gz BOICOQDJZVKPIT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033148089 1267398145 /nfs/dbraw/zinc/39/81/45/1267398145.db2.gz BOICOQDJZVKPIT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033148089 1267398153 /nfs/dbraw/zinc/39/81/53/1267398153.db2.gz BOICOQDJZVKPIT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004619012 1267414494 /nfs/dbraw/zinc/41/44/94/1267414494.db2.gz ZEFQKASEAGJYGV-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619030 1267414793 /nfs/dbraw/zinc/41/47/93/1267414793.db2.gz JKQDJMFPMNEGTP-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642404 1267447999 /nfs/dbraw/zinc/44/79/99/1267447999.db2.gz IDTHSQATYLMXTQ-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642404 1267448003 /nfs/dbraw/zinc/44/80/03/1267448003.db2.gz IDTHSQATYLMXTQ-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642404 1267448006 /nfs/dbraw/zinc/44/80/06/1267448006.db2.gz IDTHSQATYLMXTQ-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642401 1267448391 /nfs/dbraw/zinc/44/83/91/1267448391.db2.gz IDTHSQATYLMXTQ-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642401 1267448393 /nfs/dbraw/zinc/44/83/93/1267448393.db2.gz IDTHSQATYLMXTQ-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642401 1267448396 /nfs/dbraw/zinc/44/83/96/1267448396.db2.gz IDTHSQATYLMXTQ-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657896 1267576877 /nfs/dbraw/zinc/57/68/77/1267576877.db2.gz XGZDGXRNAPUZFP-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657896 1267576888 /nfs/dbraw/zinc/57/68/88/1267576888.db2.gz XGZDGXRNAPUZFP-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657896 1267576895 /nfs/dbraw/zinc/57/68/95/1267576895.db2.gz XGZDGXRNAPUZFP-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662805 1267625487 /nfs/dbraw/zinc/62/54/87/1267625487.db2.gz OZQNDFHTTFCEBA-HDICACEKSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100896 1267666072 /nfs/dbraw/zinc/66/60/72/1267666072.db2.gz IWCXQTJFYIMTSM-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710434 1267754428 /nfs/dbraw/zinc/75/44/28/1267754428.db2.gz NBPGHNZWYFKWPY-KDURUIRLSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622784 1268031041 /nfs/dbraw/zinc/03/10/41/1268031041.db2.gz DUBSBKQXUOXVAR-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622784 1268031054 /nfs/dbraw/zinc/03/10/54/1268031054.db2.gz DUBSBKQXUOXVAR-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085648697 1268133522 /nfs/dbraw/zinc/13/35/22/1268133522.db2.gz TYSOTOPSSRCATL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085648697 1268133529 /nfs/dbraw/zinc/13/35/29/1268133529.db2.gz TYSOTOPSSRCATL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085648697 1268133535 /nfs/dbraw/zinc/13/35/35/1268133535.db2.gz TYSOTOPSSRCATL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085648697 1268133538 /nfs/dbraw/zinc/13/35/38/1268133538.db2.gz TYSOTOPSSRCATL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781750 1268503287 /nfs/dbraw/zinc/50/32/87/1268503287.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781750 1268503293 /nfs/dbraw/zinc/50/32/93/1268503293.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781750 1268503303 /nfs/dbraw/zinc/50/33/03/1268503303.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505683 /nfs/dbraw/zinc/50/56/83/1268505683.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505692 /nfs/dbraw/zinc/50/56/92/1268505692.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505699 /nfs/dbraw/zinc/50/56/99/1268505699.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297587 1268687803 /nfs/dbraw/zinc/68/78/03/1268687803.db2.gz PKTIHLFUQCZSCX-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221121 1269051036 /nfs/dbraw/zinc/05/10/36/1269051036.db2.gz UCUSUWXXMSURSM-HKUYNNGSSA-N 2 1 341.540 2.504 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106965 1269997897 /nfs/dbraw/zinc/99/78/97/1269997897.db2.gz GAZFDHMUWWDXRM-HLLBOEOZSA-N 2 1 339.911 2.630 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086109717 1270009684 /nfs/dbraw/zinc/00/96/84/1270009684.db2.gz APEVSWMWDRPYFU-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086109717 1270009695 /nfs/dbraw/zinc/00/96/95/1270009695.db2.gz APEVSWMWDRPYFU-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390329 1270300002 /nfs/dbraw/zinc/30/00/02/1270300002.db2.gz JRMRTKMCGRYZNN-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005390329 1270300012 /nfs/dbraw/zinc/30/00/12/1270300012.db2.gz JRMRTKMCGRYZNN-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989961 1270783060 /nfs/dbraw/zinc/78/30/60/1270783060.db2.gz RIJXRBIHDCQQCH-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034015269 1270835171 /nfs/dbraw/zinc/83/51/71/1270835171.db2.gz HFBLLJNJWMENFK-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005518483 1271277716 /nfs/dbraw/zinc/27/77/16/1271277716.db2.gz MFMFOASLQVUGPD-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005518483 1271277724 /nfs/dbraw/zinc/27/77/24/1271277724.db2.gz MFMFOASLQVUGPD-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210745 1271364402 /nfs/dbraw/zinc/36/44/02/1271364402.db2.gz JIYSHOITGAKHQO-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210745 1271364412 /nfs/dbraw/zinc/36/44/12/1271364412.db2.gz JIYSHOITGAKHQO-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210745 1271364424 /nfs/dbraw/zinc/36/44/24/1271364424.db2.gz JIYSHOITGAKHQO-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228178 1271391109 /nfs/dbraw/zinc/39/11/09/1271391109.db2.gz CLOPWEXENULMID-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228178 1271391119 /nfs/dbraw/zinc/39/11/19/1271391119.db2.gz CLOPWEXENULMID-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034250252 1271426691 /nfs/dbraw/zinc/42/66/91/1271426691.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238957 1271439686 /nfs/dbraw/zinc/43/96/86/1271439686.db2.gz PRVINDZIQZPTSB-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238957 1271439693 /nfs/dbraw/zinc/43/96/93/1271439693.db2.gz PRVINDZIQZPTSB-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238957 1271439695 /nfs/dbraw/zinc/43/96/95/1271439695.db2.gz PRVINDZIQZPTSB-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238957 1271439699 /nfs/dbraw/zinc/43/96/99/1271439699.db2.gz PRVINDZIQZPTSB-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329349 1271669532 /nfs/dbraw/zinc/66/95/32/1271669532.db2.gz GYBNGBZYJXYBCA-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332550 1271677718 /nfs/dbraw/zinc/67/77/18/1271677718.db2.gz ZRQQVCLTVFAHMR-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367695 1271755171 /nfs/dbraw/zinc/75/51/71/1271755171.db2.gz HEBKDIZFYAPZLJ-UYAOXDASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367695 1271755179 /nfs/dbraw/zinc/75/51/79/1271755179.db2.gz HEBKDIZFYAPZLJ-UYAOXDASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367695 1271755190 /nfs/dbraw/zinc/75/51/90/1271755190.db2.gz HEBKDIZFYAPZLJ-UYAOXDASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364249 1271780323 /nfs/dbraw/zinc/78/03/23/1271780323.db2.gz KFHUAGBGZZXDIO-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364249 1271780327 /nfs/dbraw/zinc/78/03/27/1271780327.db2.gz KFHUAGBGZZXDIO-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406210 1271866331 /nfs/dbraw/zinc/86/63/31/1271866331.db2.gz YILHSFUYFCJOJO-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480731 1272085686 /nfs/dbraw/zinc/08/56/86/1272085686.db2.gz NBSQIDIVVSPSJI-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480731 1272085695 /nfs/dbraw/zinc/08/56/95/1272085695.db2.gz NBSQIDIVVSPSJI-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480731 1272085709 /nfs/dbraw/zinc/08/57/09/1272085709.db2.gz NBSQIDIVVSPSJI-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001005581274 1272495489 /nfs/dbraw/zinc/49/54/89/1272495489.db2.gz KIRLYWWTFQHLRN-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005581274 1272495490 /nfs/dbraw/zinc/49/54/90/1272495490.db2.gz KIRLYWWTFQHLRN-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273136303 1272562321 /nfs/dbraw/zinc/56/23/21/1272562321.db2.gz LCSSUQNDPFHZAH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273136303 1272562326 /nfs/dbraw/zinc/56/23/26/1272562326.db2.gz LCSSUQNDPFHZAH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001034742199 1272779579 /nfs/dbraw/zinc/77/95/79/1272779579.db2.gz QBADFZUASZKVAN-WTGUMLROSA-N 2 1 341.499 2.535 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001034750295 1272797419 /nfs/dbraw/zinc/79/74/19/1272797419.db2.gz FWHKSNSYBLUNGK-SHTZXODSSA-N 2 1 338.883 2.776 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754316 1272831730 /nfs/dbraw/zinc/83/17/30/1272831730.db2.gz ZPAWUPUZXWCJPI-QAETUUGQSA-N 2 1 339.911 2.773 20 30 EFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169351423 1272839739 /nfs/dbraw/zinc/83/97/39/1272839739.db2.gz ZETZHPITNGAQOQ-IAGOWNOFSA-N 2 1 328.497 2.718 20 30 EFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169351423 1272839748 /nfs/dbraw/zinc/83/97/48/1272839748.db2.gz ZETZHPITNGAQOQ-IAGOWNOFSA-N 2 1 328.497 2.718 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169464927 1272956267 /nfs/dbraw/zinc/95/62/67/1272956267.db2.gz UUZHZHNVWGNPQZ-UHFFFAOYSA-N 2 1 341.459 2.723 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962344 1273316107 /nfs/dbraw/zinc/31/61/07/1273316107.db2.gz JVYNZLQRCABOID-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962344 1273316116 /nfs/dbraw/zinc/31/61/16/1273316116.db2.gz JVYNZLQRCABOID-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530279 1273736991 /nfs/dbraw/zinc/73/69/91/1273736991.db2.gz POCLEROIXJGBQB-BRWVUGGUSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197409 1273762756 /nfs/dbraw/zinc/76/27/56/1273762756.db2.gz MNMZYVAJDPSZIY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035197409 1273762760 /nfs/dbraw/zinc/76/27/60/1273762760.db2.gz MNMZYVAJDPSZIY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035197409 1273762765 /nfs/dbraw/zinc/76/27/65/1273762765.db2.gz MNMZYVAJDPSZIY-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199969 1273769577 /nfs/dbraw/zinc/76/95/77/1273769577.db2.gz SKAHNOYZTMHXDK-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199969 1273769586 /nfs/dbraw/zinc/76/95/86/1273769586.db2.gz SKAHNOYZTMHXDK-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199969 1273769595 /nfs/dbraw/zinc/76/95/95/1273769595.db2.gz SKAHNOYZTMHXDK-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035201268 1273771506 /nfs/dbraw/zinc/77/15/06/1273771506.db2.gz TVIFDPVNEKOJIQ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035201268 1273771509 /nfs/dbraw/zinc/77/15/09/1273771509.db2.gz TVIFDPVNEKOJIQ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035201268 1273771512 /nfs/dbraw/zinc/77/15/12/1273771512.db2.gz TVIFDPVNEKOJIQ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035201097 1273772663 /nfs/dbraw/zinc/77/26/63/1273772663.db2.gz FJTUKQOXWXGOTG-UHFFFAOYSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035193002 1273812098 /nfs/dbraw/zinc/81/20/98/1273812098.db2.gz SQYBENAGTWUSGL-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193002 1273812111 /nfs/dbraw/zinc/81/21/11/1273812111.db2.gz SQYBENAGTWUSGL-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193002 1273812124 /nfs/dbraw/zinc/81/21/24/1273812124.db2.gz SQYBENAGTWUSGL-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194706 1273818345 /nfs/dbraw/zinc/81/83/45/1273818345.db2.gz YYWXFWNHLLAONR-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194706 1273818357 /nfs/dbraw/zinc/81/83/57/1273818357.db2.gz YYWXFWNHLLAONR-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035195796 1273822317 /nfs/dbraw/zinc/82/23/17/1273822317.db2.gz KJJPYNBQDMCTEM-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195796 1273822325 /nfs/dbraw/zinc/82/23/25/1273822325.db2.gz KJJPYNBQDMCTEM-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195796 1273822337 /nfs/dbraw/zinc/82/23/37/1273822337.db2.gz KJJPYNBQDMCTEM-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215606 1273873839 /nfs/dbraw/zinc/87/38/39/1273873839.db2.gz JHZVPVCLLMNKTM-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215606 1273873850 /nfs/dbraw/zinc/87/38/50/1273873850.db2.gz JHZVPVCLLMNKTM-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215606 1273873862 /nfs/dbraw/zinc/87/38/62/1273873862.db2.gz JHZVPVCLLMNKTM-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233549 1273883900 /nfs/dbraw/zinc/88/39/00/1273883900.db2.gz IFQYHUVIARWGBA-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233507 1273884792 /nfs/dbraw/zinc/88/47/92/1273884792.db2.gz GAFWHDDDOPELEB-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233403 1273885230 /nfs/dbraw/zinc/88/52/30/1273885230.db2.gz CELUDVUHRWPMHX-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233403 1273885233 /nfs/dbraw/zinc/88/52/33/1273885233.db2.gz CELUDVUHRWPMHX-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234248 1273886535 /nfs/dbraw/zinc/88/65/35/1273886535.db2.gz QWYFVSSYNASXHS-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234248 1273886544 /nfs/dbraw/zinc/88/65/44/1273886544.db2.gz QWYFVSSYNASXHS-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233991 1273886596 /nfs/dbraw/zinc/88/65/96/1273886596.db2.gz RLONJEQMAUJAQQ-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236773 1273898400 /nfs/dbraw/zinc/89/84/00/1273898400.db2.gz CUBAFOZWDDWPBI-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236773 1273898406 /nfs/dbraw/zinc/89/84/06/1273898406.db2.gz CUBAFOZWDDWPBI-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236773 1273898412 /nfs/dbraw/zinc/89/84/12/1273898412.db2.gz CUBAFOZWDDWPBI-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035239117 1273904886 /nfs/dbraw/zinc/90/48/86/1273904886.db2.gz DDOBNKGFECWZMT-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245304 1273918676 /nfs/dbraw/zinc/91/86/76/1273918676.db2.gz MEIWLWNPSOOTJA-UHFFFAOYSA-N 2 1 342.487 2.652 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991360 1274093747 /nfs/dbraw/zinc/09/37/47/1274093747.db2.gz NUWKAWJWZPOKNN-ZWKOTPCHSA-N 2 1 341.540 2.552 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991360 1274093757 /nfs/dbraw/zinc/09/37/57/1274093757.db2.gz NUWKAWJWZPOKNN-ZWKOTPCHSA-N 2 1 341.540 2.552 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405851 1274250292 /nfs/dbraw/zinc/25/02/92/1274250292.db2.gz DRRXPPMQNLBMBW-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035708914 1274389033 /nfs/dbraw/zinc/38/90/33/1274389033.db2.gz MXYONJIQNPOTBN-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035719805 1274404768 /nfs/dbraw/zinc/40/47/68/1274404768.db2.gz AYZSUOFODUJYOQ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725223 1274412695 /nfs/dbraw/zinc/41/26/95/1274412695.db2.gz JCTQNVUZFBUQDI-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035737102 1274428624 /nfs/dbraw/zinc/42/86/24/1274428624.db2.gz SVOUFHAKRDFUIL-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035815127 1274548666 /nfs/dbraw/zinc/54/86/66/1274548666.db2.gz YPWGGSUZMSCEQT-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837020 1274574264 /nfs/dbraw/zinc/57/42/64/1274574264.db2.gz FDXVTZASLWDZGN-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879927 1274760678 /nfs/dbraw/zinc/76/06/78/1274760678.db2.gz SDDKBGWGSVXDGN-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966571 1274916621 /nfs/dbraw/zinc/91/66/21/1274916621.db2.gz WXZQMDLNJAYOFG-XODKDNOYSA-N 2 1 341.499 2.761 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966571 1274916630 /nfs/dbraw/zinc/91/66/30/1274916630.db2.gz WXZQMDLNJAYOFG-XODKDNOYSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563461 1275187634 /nfs/dbraw/zinc/18/76/34/1275187634.db2.gz WNBVQYDYTNLQRP-HBFSDRIKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586433 1275312366 /nfs/dbraw/zinc/31/23/66/1275312366.db2.gz YUMHJRGHEBBAEW-HBFSDRIKSA-N 2 1 335.536 2.900 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746632050 1275669502 /nfs/dbraw/zinc/66/95/02/1275669502.db2.gz QBQJKVSZSFXQES-UHFFFAOYSA-N 2 1 334.427 2.906 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746632050 1275669511 /nfs/dbraw/zinc/66/95/11/1275669511.db2.gz QBQJKVSZSFXQES-UHFFFAOYSA-N 2 1 334.427 2.906 20 30 EFEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855134 1276111420 /nfs/dbraw/zinc/11/14/20/1276111420.db2.gz LTTYPTDYEVAMRC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170878730 1276321615 /nfs/dbraw/zinc/32/16/15/1276321615.db2.gz QCMAOOPEXMOIOL-HRCADAONSA-N 2 1 329.916 2.734 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878313 1276332018 /nfs/dbraw/zinc/33/20/18/1276332018.db2.gz NHVPWSZIOSTTDX-DLBZAZTESA-N 2 1 332.492 2.685 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174931016 1287236057 /nfs/dbraw/zinc/23/60/57/1287236057.db2.gz ZZENOAIQVJSQTM-DOTOQJQBSA-N 2 1 332.492 2.595 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013484 1276755069 /nfs/dbraw/zinc/75/50/69/1276755069.db2.gz NLYFONPWEJFYBF-RUYXUALKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859166 1276786112 /nfs/dbraw/zinc/78/61/12/1276786112.db2.gz MAOJQSTXZBIZFY-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146902 1277088846 /nfs/dbraw/zinc/08/88/46/1277088846.db2.gz WFYJEEDEJPNWIQ-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005988435 1277304658 /nfs/dbraw/zinc/30/46/58/1277304658.db2.gz VQXBNMMNPDLGJW-IBGZPJMESA-N 2 1 339.499 2.698 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113247840 1277372217 /nfs/dbraw/zinc/37/22/17/1277372217.db2.gz IKVQDNWVTQCSNL-IBGZPJMESA-N 2 1 335.536 2.999 20 30 EFEDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362342 1279040119 /nfs/dbraw/zinc/04/01/19/1279040119.db2.gz YDEBOTZDOBTRNM-QPIRBTGLSA-N 2 1 343.471 2.651 20 30 EFEDMP C=CC[N@H+](CC1CCCCC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790361212 1277463343 /nfs/dbraw/zinc/46/33/43/1277463343.db2.gz CQUJLBRTPWTVEV-HXUWFJFHSA-N 2 1 347.503 2.929 20 30 EFEDMP C=CC[N@@H+](CC1CCCCC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790361212 1277463346 /nfs/dbraw/zinc/46/33/46/1277463346.db2.gz CQUJLBRTPWTVEV-HXUWFJFHSA-N 2 1 347.503 2.929 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113418911 1277788641 /nfs/dbraw/zinc/78/86/41/1277788641.db2.gz IVGJQDAQAXAKMQ-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113418911 1277788646 /nfs/dbraw/zinc/78/86/46/1277788646.db2.gz IVGJQDAQAXAKMQ-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2ccccn2)C1)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000792880298 1279233458 /nfs/dbraw/zinc/23/34/58/1279233458.db2.gz CVDBTABBCGOWHA-BGYRXZFFSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@@H+]1CC[C@H](c2ccccn2)C1)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000792880298 1279233460 /nfs/dbraw/zinc/23/34/60/1279233460.db2.gz CVDBTABBCGOWHA-BGYRXZFFSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2ccccn2)C1)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000792880298 1279233462 /nfs/dbraw/zinc/23/34/62/1279233462.db2.gz CVDBTABBCGOWHA-BGYRXZFFSA-N 2 1 346.478 2.759 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091076102 1279557040 /nfs/dbraw/zinc/55/70/40/1279557040.db2.gz NBRMDKOTKXZWIK-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091076102 1279557045 /nfs/dbraw/zinc/55/70/45/1279557045.db2.gz NBRMDKOTKXZWIK-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175289487 1287375017 /nfs/dbraw/zinc/37/50/17/1287375017.db2.gz SMGBCERKEUTCPU-INIZCTEOSA-N 2 1 348.491 2.725 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114287399 1280128817 /nfs/dbraw/zinc/12/88/17/1280128817.db2.gz KNKQAHOTZPZADA-WNRNVDISSA-N 2 1 333.520 2.652 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001129791182 1280340886 /nfs/dbraw/zinc/34/08/86/1280340886.db2.gz WUEUKBHMEDLEFX-UTKZUKDTSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001129791182 1280340899 /nfs/dbraw/zinc/34/08/99/1280340899.db2.gz WUEUKBHMEDLEFX-UTKZUKDTSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001129790781 1280341179 /nfs/dbraw/zinc/34/11/79/1280341179.db2.gz HSRHXKIPAHOGMX-UWJYYQICSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001129790781 1280341190 /nfs/dbraw/zinc/34/11/90/1280341190.db2.gz HSRHXKIPAHOGMX-UWJYYQICSA-N 2 1 349.478 2.704 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707348 1281005169 /nfs/dbraw/zinc/00/51/69/1281005169.db2.gz RGRRMCIEMCOGRA-ZWKOTPCHSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707348 1281005176 /nfs/dbraw/zinc/00/51/76/1281005176.db2.gz RGRRMCIEMCOGRA-ZWKOTPCHSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725691 1281247243 /nfs/dbraw/zinc/24/72/43/1281247243.db2.gz YCOPBKMYBMIPJH-DLBZAZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725691 1281247252 /nfs/dbraw/zinc/24/72/52/1281247252.db2.gz YCOPBKMYBMIPJH-DLBZAZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742888 1281260275 /nfs/dbraw/zinc/26/02/75/1281260275.db2.gz SIWDKEYPHDLIFO-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742888 1281260284 /nfs/dbraw/zinc/26/02/84/1281260284.db2.gz SIWDKEYPHDLIFO-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147742888 1281260288 /nfs/dbraw/zinc/26/02/88/1281260288.db2.gz SIWDKEYPHDLIFO-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784271 1287486096 /nfs/dbraw/zinc/48/60/96/1287486096.db2.gz HRYZUHVDNMWXCB-RBUKOAKNSA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147841438 1281314840 /nfs/dbraw/zinc/31/48/40/1281314840.db2.gz LJCWIKMCTUTACH-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841438 1281314848 /nfs/dbraw/zinc/31/48/48/1281314848.db2.gz LJCWIKMCTUTACH-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841438 1281314856 /nfs/dbraw/zinc/31/48/56/1281314856.db2.gz LJCWIKMCTUTACH-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020996 1287489081 /nfs/dbraw/zinc/48/90/81/1287489081.db2.gz KVRWXRIGQJBTRQ-HZPDHXFCSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148291628 1281496334 /nfs/dbraw/zinc/49/63/34/1281496334.db2.gz ATGNRGDZXSQISO-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148291628 1281496341 /nfs/dbraw/zinc/49/63/41/1281496341.db2.gz ATGNRGDZXSQISO-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477110 1281568510 /nfs/dbraw/zinc/56/85/10/1281568510.db2.gz IQXWHRNBVIVWAT-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477136 1281568880 /nfs/dbraw/zinc/56/88/80/1281568880.db2.gz KBJZNJPKNLBIQD-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477136 1281568885 /nfs/dbraw/zinc/56/88/85/1281568885.db2.gz KBJZNJPKNLBIQD-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148524910 1281582400 /nfs/dbraw/zinc/58/24/00/1281582400.db2.gz VQOCBLHKDNKSQP-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839250 1281779870 /nfs/dbraw/zinc/77/98/70/1281779870.db2.gz ODWPWDHDZCGQAS-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785801 1287528574 /nfs/dbraw/zinc/52/85/74/1287528574.db2.gz OHGNQOOCVKFTPT-MOPGFXCFSA-N 2 1 347.547 2.929 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110189006 1287529153 /nfs/dbraw/zinc/52/91/53/1287529153.db2.gz ZTYJDPGRJJLNRH-QYZOEREBSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086920879 1281930450 /nfs/dbraw/zinc/93/04/50/1281930450.db2.gz AROSFBBVUOONQK-RTBURBONSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086920876 1281930581 /nfs/dbraw/zinc/93/05/81/1281930581.db2.gz AROSFBBVUOONQK-MOPGFXCFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941235 1281969618 /nfs/dbraw/zinc/96/96/18/1281969618.db2.gz NVMIHTZWXFJOJZ-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928150 1281989703 /nfs/dbraw/zinc/98/97/03/1281989703.db2.gz WPQXSODELVMYSK-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086955970 1282024477 /nfs/dbraw/zinc/02/44/77/1282024477.db2.gz ARRDTTPPESDQIW-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879782 1282211801 /nfs/dbraw/zinc/21/18/01/1282211801.db2.gz RRBVIAISBGVAOE-SBHAEUEKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092158007 1282428070 /nfs/dbraw/zinc/42/80/70/1282428070.db2.gz ZKHDQMXVSBGOKH-CTNGQTDRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303139 1282549494 /nfs/dbraw/zinc/54/94/94/1282549494.db2.gz VAIMQSOXVIEDQH-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141144 1283066146 /nfs/dbraw/zinc/06/61/46/1283066146.db2.gz OKROYEDZMQPPRF-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141144 1283066154 /nfs/dbraw/zinc/06/61/54/1283066154.db2.gz OKROYEDZMQPPRF-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141144 1283066159 /nfs/dbraw/zinc/06/61/59/1283066159.db2.gz OKROYEDZMQPPRF-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132142182 1283067415 /nfs/dbraw/zinc/06/74/15/1283067415.db2.gz YZCMTBSXYNTRRM-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132142182 1283067424 /nfs/dbraw/zinc/06/74/24/1283067424.db2.gz YZCMTBSXYNTRRM-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132142182 1283067435 /nfs/dbraw/zinc/06/74/35/1283067435.db2.gz YZCMTBSXYNTRRM-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132173650 1283086386 /nfs/dbraw/zinc/08/63/86/1283086386.db2.gz PJAZMWXNFKMSCP-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132173650 1283086393 /nfs/dbraw/zinc/08/63/93/1283086393.db2.gz PJAZMWXNFKMSCP-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206092 1283155951 /nfs/dbraw/zinc/15/59/51/1283155951.db2.gz DQKLLJNYIZNZNI-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206092 1283155957 /nfs/dbraw/zinc/15/59/57/1283155957.db2.gz DQKLLJNYIZNZNI-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206092 1283155962 /nfs/dbraw/zinc/15/59/62/1283155962.db2.gz DQKLLJNYIZNZNI-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025055 1283165362 /nfs/dbraw/zinc/16/53/62/1283165362.db2.gz OUVBPZJOHMKEFN-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093024636 1283165934 /nfs/dbraw/zinc/16/59/34/1283165934.db2.gz BLLKXJWMUOMFNQ-OIISXLGYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024636 1283165937 /nfs/dbraw/zinc/16/59/37/1283165937.db2.gz BLLKXJWMUOMFNQ-OIISXLGYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024636 1283165940 /nfs/dbraw/zinc/16/59/40/1283165940.db2.gz BLLKXJWMUOMFNQ-OIISXLGYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717701 1283223780 /nfs/dbraw/zinc/22/37/80/1283223780.db2.gz ZUOWSADULDYTPZ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093093326 1283253334 /nfs/dbraw/zinc/25/33/34/1283253334.db2.gz BUGODKAPZVYJQR-RHSMWYFYSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310872 1283305488 /nfs/dbraw/zinc/30/54/88/1283305488.db2.gz PESSLRGKMGSINN-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310872 1283305495 /nfs/dbraw/zinc/30/54/95/1283305495.db2.gz PESSLRGKMGSINN-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310872 1283305503 /nfs/dbraw/zinc/30/55/03/1283305503.db2.gz PESSLRGKMGSINN-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310872 1283305508 /nfs/dbraw/zinc/30/55/08/1283305508.db2.gz PESSLRGKMGSINN-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330479 1283338992 /nfs/dbraw/zinc/33/89/92/1283338992.db2.gz HWQCQTQVNRXGDD-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330479 1283339002 /nfs/dbraw/zinc/33/90/02/1283339002.db2.gz HWQCQTQVNRXGDD-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334683 1283351611 /nfs/dbraw/zinc/35/16/11/1283351611.db2.gz CAHRKQSCNAIXFY-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334683 1283351617 /nfs/dbraw/zinc/35/16/17/1283351617.db2.gz CAHRKQSCNAIXFY-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334680 1283351912 /nfs/dbraw/zinc/35/19/12/1283351912.db2.gz CAHRKQSCNAIXFY-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334680 1283351926 /nfs/dbraw/zinc/35/19/26/1283351926.db2.gz CAHRKQSCNAIXFY-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335516 1283353737 /nfs/dbraw/zinc/35/37/37/1283353737.db2.gz PKOHUZAGLDPPSE-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335516 1283353748 /nfs/dbraw/zinc/35/37/48/1283353748.db2.gz PKOHUZAGLDPPSE-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354671 1283380851 /nfs/dbraw/zinc/38/08/51/1283380851.db2.gz OBRSMCUXCXQDFN-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354671 1283380856 /nfs/dbraw/zinc/38/08/56/1283380856.db2.gz OBRSMCUXCXQDFN-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365124 1283409561 /nfs/dbraw/zinc/40/95/61/1283409561.db2.gz IHOMRCRTNDTRGG-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365124 1283409566 /nfs/dbraw/zinc/40/95/66/1283409566.db2.gz IHOMRCRTNDTRGG-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419992 1283512828 /nfs/dbraw/zinc/51/28/28/1283512828.db2.gz LKISORJQMVJKLJ-RBUKOAKNSA-N 2 1 335.536 2.881 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419991 1283514770 /nfs/dbraw/zinc/51/47/70/1283514770.db2.gz LKISORJQMVJKLJ-OALUTQOASA-N 2 1 335.536 2.881 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426215 1283552355 /nfs/dbraw/zinc/55/23/55/1283552355.db2.gz UCMYZEWWHBITEM-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773779 1283554756 /nfs/dbraw/zinc/55/47/56/1283554756.db2.gz SVIGVVUCPGVWQI-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC/C=C\CC)C2)CC1 ZINC001132518640 1283777526 /nfs/dbraw/zinc/77/75/26/1283777526.db2.gz MBUNGTBRALHSIV-CWHLKURSSA-N 2 1 345.531 2.657 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093371652 1283808422 /nfs/dbraw/zinc/80/84/22/1283808422.db2.gz AMFANZCPEAUADU-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093371989 1283809199 /nfs/dbraw/zinc/80/91/99/1283809199.db2.gz XSOKUDBIYAYKFH-BHIYHBOVSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093371989 1283809206 /nfs/dbraw/zinc/80/92/06/1283809206.db2.gz XSOKUDBIYAYKFH-BHIYHBOVSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093371989 1283809218 /nfs/dbraw/zinc/80/92/18/1283809218.db2.gz XSOKUDBIYAYKFH-BHIYHBOVSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379675 1283840082 /nfs/dbraw/zinc/84/00/82/1283840082.db2.gz FYCLTMXLORKAEO-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP C[C@H](C#N)OCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062586 1284012751 /nfs/dbraw/zinc/01/27/51/1284012751.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062586 1284012758 /nfs/dbraw/zinc/01/27/58/1284012758.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062586 1284012762 /nfs/dbraw/zinc/01/27/62/1284012762.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062586 1284012770 /nfs/dbraw/zinc/01/27/70/1284012770.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062586 1284012774 /nfs/dbraw/zinc/01/27/74/1284012774.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 1 327.472 2.902 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835065 1284148730 /nfs/dbraw/zinc/14/87/30/1284148730.db2.gz UDFMGQZUJYFGGP-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835065 1284148735 /nfs/dbraw/zinc/14/87/35/1284148735.db2.gz UDFMGQZUJYFGGP-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835065 1284148739 /nfs/dbraw/zinc/14/87/39/1284148739.db2.gz UDFMGQZUJYFGGP-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836514 1284154156 /nfs/dbraw/zinc/15/41/56/1284154156.db2.gz RPOMQROQWGIIIN-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836513 1284155268 /nfs/dbraw/zinc/15/52/68/1284155268.db2.gz RPOMQROQWGIIIN-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859932 1284339757 /nfs/dbraw/zinc/33/97/57/1284339757.db2.gz XXRUINQCAOFYEP-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871756 1284428881 /nfs/dbraw/zinc/42/88/81/1284428881.db2.gz PWWMQGJPCQVDMT-FUHWJXTLSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871756 1284428883 /nfs/dbraw/zinc/42/88/83/1284428883.db2.gz PWWMQGJPCQVDMT-FUHWJXTLSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696379 1284440106 /nfs/dbraw/zinc/44/01/06/1284440106.db2.gz HLQZSTJUSMFWRS-RCCFBDPRSA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867465 1284441059 /nfs/dbraw/zinc/44/10/59/1284441059.db2.gz VPLNLMONNDZTTJ-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176112604 1287714483 /nfs/dbraw/zinc/71/44/83/1287714483.db2.gz WTVFUCOMKCMENC-RBUKOAKNSA-N 2 1 335.536 2.929 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132932648 1284485340 /nfs/dbraw/zinc/48/53/40/1284485340.db2.gz KOWNKXLUWVOPAK-ZFWWWQNUSA-N 2 1 329.916 2.543 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942211 1284499270 /nfs/dbraw/zinc/49/92/70/1284499270.db2.gz YILKODKXYXJXFS-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120218 1287717370 /nfs/dbraw/zinc/71/73/70/1287717370.db2.gz KZTXJVQANBHKOF-IEBWSBKVSA-N 2 1 329.488 2.577 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141818 1284862569 /nfs/dbraw/zinc/86/25/69/1284862569.db2.gz HMJDHKLDOXLYGW-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165387 1284923129 /nfs/dbraw/zinc/92/31/29/1284923129.db2.gz GCMXYQVNPWZDQK-AEFFLSMTSA-N 2 1 332.492 2.622 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185668 1284952601 /nfs/dbraw/zinc/95/26/01/1284952601.db2.gz HBFQPCBMEPYFDZ-OALUTQOASA-N 2 1 335.536 2.596 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417193 1285044001 /nfs/dbraw/zinc/04/40/01/1285044001.db2.gz MEXFQBIWFPFBAU-QKNQBKEWSA-N 2 1 345.531 2.655 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133395932 1285340390 /nfs/dbraw/zinc/34/03/90/1285340390.db2.gz IZBNZHJAJONFKT-CRAIPNDOSA-N 2 1 349.906 2.784 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001133407825 1285368659 /nfs/dbraw/zinc/36/86/59/1285368659.db2.gz PDRRSVXVRRFGDZ-QGZVFWFLSA-N 2 1 349.906 2.786 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903102 1285385120 /nfs/dbraw/zinc/38/51/20/1285385120.db2.gz VOPCOCFVGGXIQZ-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585401 1285418590 /nfs/dbraw/zinc/41/85/90/1285418590.db2.gz VCHHUDSNZOLODV-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585401 1285418598 /nfs/dbraw/zinc/41/85/98/1285418598.db2.gz VCHHUDSNZOLODV-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585401 1285418601 /nfs/dbraw/zinc/41/86/01/1285418601.db2.gz VCHHUDSNZOLODV-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161478 1285500477 /nfs/dbraw/zinc/50/04/77/1285500477.db2.gz GVTRSEUASRHHPE-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629279 1285661276 /nfs/dbraw/zinc/66/12/76/1285661276.db2.gz JWDGIKLBGVBLFW-HNNXBMFYSA-N 2 1 336.480 2.581 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172118849 1286026849 /nfs/dbraw/zinc/02/68/49/1286026849.db2.gz QVQPKEHVKGXFOO-AJYBTWMASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172118849 1286026851 /nfs/dbraw/zinc/02/68/51/1286026851.db2.gz QVQPKEHVKGXFOO-AJYBTWMASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118849 1286026855 /nfs/dbraw/zinc/02/68/55/1286026855.db2.gz QVQPKEHVKGXFOO-AJYBTWMASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118849 1286026856 /nfs/dbraw/zinc/02/68/56/1286026856.db2.gz QVQPKEHVKGXFOO-AJYBTWMASA-N 2 1 331.504 2.502 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CCCC#N)cc2)CC1 ZINC001172482702 1286145004 /nfs/dbraw/zinc/14/50/04/1286145004.db2.gz JMZFKZKWAPXBTH-GOSISDBHSA-N 2 1 328.504 2.996 20 30 EFEDMP C[C@H](CCCC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001172497642 1286172114 /nfs/dbraw/zinc/17/21/14/1286172114.db2.gz DSCAVCBROKEGRZ-QGZVFWFLSA-N 2 1 329.492 2.809 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717187 1286332143 /nfs/dbraw/zinc/33/21/43/1286332143.db2.gz KXHRJQBFZZXKRL-SCTDSRPQSA-N 2 1 333.520 2.844 20 30 EFEDMP CC1(C#N)CCC([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001173595747 1286709639 /nfs/dbraw/zinc/70/96/39/1286709639.db2.gz VKHHXAMFXAALMW-UHFFFAOYSA-N 2 1 341.503 2.809 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396152 1289121227 /nfs/dbraw/zinc/12/12/27/1289121227.db2.gz YYSTYYHGFNEYKJ-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110194157 1287928419 /nfs/dbraw/zinc/92/84/19/1287928419.db2.gz SMZQFPUPWJRIHY-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110194157 1287928422 /nfs/dbraw/zinc/92/84/22/1287928422.db2.gz SMZQFPUPWJRIHY-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194157 1287928429 /nfs/dbraw/zinc/92/84/29/1287928429.db2.gz SMZQFPUPWJRIHY-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194157 1287928433 /nfs/dbraw/zinc/92/84/33/1287928433.db2.gz SMZQFPUPWJRIHY-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783606 1288392550 /nfs/dbraw/zinc/39/25/50/1288392550.db2.gz IFXZRPIQPMAQKJ-GVDBMIGSSA-N 2 1 341.927 2.735 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177336006 1288396946 /nfs/dbraw/zinc/39/69/46/1288396946.db2.gz PPOVBIXKTRAOBA-HXUWFJFHSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001177339450 1288398134 /nfs/dbraw/zinc/39/81/34/1288398134.db2.gz GSMGUGJKIVCPNG-FQEVSTJZSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001177339604 1288399108 /nfs/dbraw/zinc/39/91/08/1288399108.db2.gz LQNYYJAGULNYGN-GOSISDBHSA-N 2 1 344.503 2.945 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001177342539 1288400209 /nfs/dbraw/zinc/40/02/09/1288400209.db2.gz OWSLJXSONIUCCB-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C\CC ZINC001178722849 1288867449 /nfs/dbraw/zinc/86/74/49/1288867449.db2.gz QSQXUPDYEMXCOF-VOFKWLDRSA-N 2 1 333.520 2.707 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C\CC ZINC001178722849 1288867451 /nfs/dbraw/zinc/86/74/51/1288867451.db2.gz QSQXUPDYEMXCOF-VOFKWLDRSA-N 2 1 333.520 2.707 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178722829 1288867687 /nfs/dbraw/zinc/86/76/87/1288867687.db2.gz PWKGAMSQJRMBPT-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178722829 1288867694 /nfs/dbraw/zinc/86/76/94/1288867694.db2.gz PWKGAMSQJRMBPT-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178729375 1288901069 /nfs/dbraw/zinc/90/10/69/1288901069.db2.gz VUVIFXKXQOBWCD-INIZCTEOSA-N 2 1 329.916 2.880 20 30 EFEDMP CC(C)OCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277657215 1312690164 /nfs/dbraw/zinc/69/01/64/1312690164.db2.gz FEPXWEWDMVGIIO-UHFFFAOYSA-N 2 1 344.503 2.610 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651070 1289206932 /nfs/dbraw/zinc/20/69/32/1289206932.db2.gz FTRXGTLPZHVOGO-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165912805 1312703393 /nfs/dbraw/zinc/70/33/93/1312703393.db2.gz VGDHZNWCHBJWIA-HNNXBMFYSA-N 2 1 348.491 2.581 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452080 1289538989 /nfs/dbraw/zinc/53/89/89/1289538989.db2.gz LMIQLBKOQZNPMJ-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452080 1289538995 /nfs/dbraw/zinc/53/89/95/1289538995.db2.gz LMIQLBKOQZNPMJ-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467740 1289799025 /nfs/dbraw/zinc/79/90/25/1289799025.db2.gz DHLWRDMATNLHET-DBXWQHBBSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440336 1289806765 /nfs/dbraw/zinc/80/67/65/1289806765.db2.gz DHYGZRZHUXPHRG-UWWQBHOKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001182301104 1290156563 /nfs/dbraw/zinc/15/65/63/1290156563.db2.gz QYBNAFKGIRWMSI-FTEYMNFISA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182368247 1290180744 /nfs/dbraw/zinc/18/07/44/1290180744.db2.gz FSNNWKAPJMJDCO-GRZALLJUSA-N 2 1 341.927 2.543 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166389311 1312769806 /nfs/dbraw/zinc/76/98/06/1312769806.db2.gz DNZISVIJTWPXLG-UHFFFAOYSA-N 2 1 333.520 2.540 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184683274 1290499137 /nfs/dbraw/zinc/49/91/37/1290499137.db2.gz HFGUTACCTOIIMX-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892103 1290539001 /nfs/dbraw/zinc/53/90/01/1290539001.db2.gz MYVOJIQUXKQHIP-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185790313 1290762992 /nfs/dbraw/zinc/76/29/92/1290762992.db2.gz ZIBRFBGLLISJMK-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185790313 1290762999 /nfs/dbraw/zinc/76/29/99/1290762999.db2.gz ZIBRFBGLLISJMK-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687790 1312820499 /nfs/dbraw/zinc/82/04/99/1312820499.db2.gz ZXKQSTPGDWHWSO-MAUKXSAKSA-N 2 1 327.488 2.650 20 30 EFEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001186604569 1290999261 /nfs/dbraw/zinc/99/92/61/1290999261.db2.gz FJNMCDNCFMDAIQ-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186604569 1290999265 /nfs/dbraw/zinc/99/92/65/1290999265.db2.gz FJNMCDNCFMDAIQ-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186604569 1290999268 /nfs/dbraw/zinc/99/92/68/1290999268.db2.gz FJNMCDNCFMDAIQ-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]CC)N2CCSC(C)(C)C2)C1 ZINC000126133108 1291002555 /nfs/dbraw/zinc/00/25/55/1291002555.db2.gz FJYMZMYEXVBDAJ-OAHLLOKOSA-N 2 1 326.554 2.511 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707060 1312825452 /nfs/dbraw/zinc/82/54/52/1312825452.db2.gz CTEPUZRHMPURHU-QGZVFWFLSA-N 2 1 334.508 2.820 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166708662 1312825754 /nfs/dbraw/zinc/82/57/54/1312825754.db2.gz VUXOSKQGTMRYGT-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203232859 1291040106 /nfs/dbraw/zinc/04/01/06/1291040106.db2.gz XVGQZFWOWUZQGZ-MSOLQXFVSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877009223 1291106323 /nfs/dbraw/zinc/10/63/23/1291106323.db2.gz JIRLQCZPBJKWOW-UHFFFAOYSA-N 2 1 343.515 2.778 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114950 1291308819 /nfs/dbraw/zinc/30/88/19/1291308819.db2.gz DLWKNWGDWDHRDG-LSDHHAIUSA-N 2 1 342.409 2.721 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312564 1291669622 /nfs/dbraw/zinc/66/96/22/1291669622.db2.gz VQMMAHIMAZMKJA-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317234 1291670770 /nfs/dbraw/zinc/67/07/70/1291670770.db2.gz KWTGPLMFECKOPS-YTQUADARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517135 1291697820 /nfs/dbraw/zinc/69/78/20/1291697820.db2.gz KESHFELGHLAIAR-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517171 1291697925 /nfs/dbraw/zinc/69/79/25/1291697925.db2.gz LHVROZMSBCBLTE-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555868 1291758992 /nfs/dbraw/zinc/75/89/92/1291758992.db2.gz PXLFSTZJWGWGRQ-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957559656 1291764958 /nfs/dbraw/zinc/76/49/58/1291764958.db2.gz NTLXLPOOCGRFAV-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611745 1312880984 /nfs/dbraw/zinc/88/09/84/1312880984.db2.gz FSRBFKLECKKBRD-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779465 1312881612 /nfs/dbraw/zinc/88/16/12/1312881612.db2.gz HXEMUGFDJYIVOT-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779890 1312882129 /nfs/dbraw/zinc/88/21/29/1312882129.db2.gz VJHYZHNZUNFITJ-AZUAARDMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957603771 1291857431 /nfs/dbraw/zinc/85/74/31/1291857431.db2.gz YHOZELAOIOFBKA-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605445 1291860648 /nfs/dbraw/zinc/86/06/48/1291860648.db2.gz CCRYAHPHTZZQEH-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623779 1312887309 /nfs/dbraw/zinc/88/73/09/1312887309.db2.gz GJEVNVXWJXYUTD-MJGOQNOKSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630945 1312891254 /nfs/dbraw/zinc/89/12/54/1312891254.db2.gz LRFGDLQFIMMQON-KSZLIROESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261052 1292087120 /nfs/dbraw/zinc/08/71/20/1292087120.db2.gz ZALAYPIHSLIVIJ-FUHWJXTLSA-N 2 1 344.503 2.649 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261054 1292088228 /nfs/dbraw/zinc/08/82/28/1292088228.db2.gz ZALAYPIHSLIVIJ-SJLPKXTDSA-N 2 1 344.503 2.649 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261050 1292088456 /nfs/dbraw/zinc/08/84/56/1292088456.db2.gz ZALAYPIHSLIVIJ-AEFFLSMTSA-N 2 1 344.503 2.649 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475743 1312903464 /nfs/dbraw/zinc/90/34/64/1312903464.db2.gz ARHOODDAGLKMOS-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654652 1312906514 /nfs/dbraw/zinc/90/65/14/1312906514.db2.gz IQCICFFQGUQYIQ-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654655 1312906776 /nfs/dbraw/zinc/90/67/76/1312906776.db2.gz IQCICFFQGUQYIQ-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016655105 1312907117 /nfs/dbraw/zinc/90/71/17/1312907117.db2.gz MTZFJHRVQDRWBV-RBUKOAKNSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190487380 1292179486 /nfs/dbraw/zinc/17/94/86/1292179486.db2.gz ZLMFCKLQPQNXJN-RBUKOAKNSA-N 2 1 344.503 2.942 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467587 1292185487 /nfs/dbraw/zinc/18/54/87/1292185487.db2.gz VLTZYYSEDHAIGA-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467587 1292185492 /nfs/dbraw/zinc/18/54/92/1292185492.db2.gz VLTZYYSEDHAIGA-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467587 1292185497 /nfs/dbraw/zinc/18/54/97/1292185497.db2.gz VLTZYYSEDHAIGA-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467587 1292185501 /nfs/dbraw/zinc/18/55/01/1292185501.db2.gz VLTZYYSEDHAIGA-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480565 1312908984 /nfs/dbraw/zinc/90/89/84/1312908984.db2.gz FWNNFZGCQFXOQA-YLFCFFPRSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480565 1312908987 /nfs/dbraw/zinc/90/89/87/1312908987.db2.gz FWNNFZGCQFXOQA-YLFCFFPRSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480565 1312908991 /nfs/dbraw/zinc/90/89/91/1312908991.db2.gz FWNNFZGCQFXOQA-YLFCFFPRSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480565 1312908995 /nfs/dbraw/zinc/90/89/95/1312908995.db2.gz FWNNFZGCQFXOQA-YLFCFFPRSA-N 2 1 339.911 2.535 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663380 1312911787 /nfs/dbraw/zinc/91/17/87/1312911787.db2.gz QGCRKQKQIWVPOH-RBUKOAKNSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652824 1292265934 /nfs/dbraw/zinc/26/59/34/1292265934.db2.gz BEPHLGAHVWBTAG-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652824 1292265943 /nfs/dbraw/zinc/26/59/43/1292265943.db2.gz BEPHLGAHVWBTAG-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652824 1292265949 /nfs/dbraw/zinc/26/59/49/1292265949.db2.gz BEPHLGAHVWBTAG-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417869 1312920522 /nfs/dbraw/zinc/92/05/22/1312920522.db2.gz DGEQJIXMJZEZMK-IRXDYDNUSA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428330 1312922365 /nfs/dbraw/zinc/92/23/65/1312922365.db2.gz XXVGGYHKVAJPGE-SJORKVTESA-N 2 1 335.536 2.948 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001191008856 1292421314 /nfs/dbraw/zinc/42/13/14/1292421314.db2.gz CEMHOERIFGZXJH-QZTJIDSGSA-N 2 1 346.519 2.949 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191010393 1292423804 /nfs/dbraw/zinc/42/38/04/1292423804.db2.gz LRCLUDHOXGNXEY-HKUYNNGSSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145387 1292492195 /nfs/dbraw/zinc/49/21/95/1292492195.db2.gz UMLCYJLZGGWYGX-GOSISDBHSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701922 1312934419 /nfs/dbraw/zinc/93/44/19/1312934419.db2.gz GLYAUBMWEHIZDM-ROUUACIJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515032 1292555317 /nfs/dbraw/zinc/55/53/17/1292555317.db2.gz KAZGNIGFLZYVJX-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515031 1292555600 /nfs/dbraw/zinc/55/56/00/1292555600.db2.gz KAZGNIGFLZYVJX-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947266 1292724828 /nfs/dbraw/zinc/72/48/28/1292724828.db2.gz HSNDFTUASKQPLQ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947266 1292724835 /nfs/dbraw/zinc/72/48/35/1292724835.db2.gz HSNDFTUASKQPLQ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947266 1292724844 /nfs/dbraw/zinc/72/48/44/1292724844.db2.gz HSNDFTUASKQPLQ-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903889 1292923715 /nfs/dbraw/zinc/92/37/15/1292923715.db2.gz QFYHABJYBQYZAN-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903889 1292923721 /nfs/dbraw/zinc/92/37/21/1292923721.db2.gz QFYHABJYBQYZAN-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903889 1292923727 /nfs/dbraw/zinc/92/37/27/1292923727.db2.gz QFYHABJYBQYZAN-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597909 1292939862 /nfs/dbraw/zinc/93/98/62/1292939862.db2.gz XOKKAPOSGCSFEZ-DLBZAZTESA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597909 1292939872 /nfs/dbraw/zinc/93/98/72/1292939872.db2.gz XOKKAPOSGCSFEZ-DLBZAZTESA-N 2 1 332.492 2.894 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525825 1312966952 /nfs/dbraw/zinc/96/69/52/1312966952.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525825 1312966955 /nfs/dbraw/zinc/96/69/55/1312966955.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525825 1312966960 /nfs/dbraw/zinc/96/69/60/1312966960.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 2 1 331.504 2.645 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(CC)CC ZINC001049527839 1312969997 /nfs/dbraw/zinc/96/99/97/1312969997.db2.gz BDOAOGKNHXBCIB-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(CC)CC ZINC001049527839 1312970001 /nfs/dbraw/zinc/97/00/01/1312970001.db2.gz BDOAOGKNHXBCIB-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049527839 1312970003 /nfs/dbraw/zinc/97/00/03/1312970003.db2.gz BDOAOGKNHXBCIB-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049527839 1312970007 /nfs/dbraw/zinc/97/00/07/1312970007.db2.gz BDOAOGKNHXBCIB-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049536435 1312979148 /nfs/dbraw/zinc/97/91/48/1312979148.db2.gz NQJJVIBJMQXIIR-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536435 1312979153 /nfs/dbraw/zinc/97/91/53/1312979153.db2.gz NQJJVIBJMQXIIR-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536435 1312979157 /nfs/dbraw/zinc/97/91/57/1312979157.db2.gz NQJJVIBJMQXIIR-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049536433 1312979380 /nfs/dbraw/zinc/97/93/80/1312979380.db2.gz NQJJVIBJMQXIIR-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536433 1312979384 /nfs/dbraw/zinc/97/93/84/1312979384.db2.gz NQJJVIBJMQXIIR-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536433 1312979388 /nfs/dbraw/zinc/97/93/88/1312979388.db2.gz NQJJVIBJMQXIIR-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788751 1312981042 /nfs/dbraw/zinc/98/10/42/1312981042.db2.gz CNFFQSXIDDINJW-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C#C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000775571471 1293179442 /nfs/dbraw/zinc/17/94/42/1293179442.db2.gz HOMUIDGFFAMDBV-PMACEKPBSA-N 2 1 330.447 2.603 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383241 1293284372 /nfs/dbraw/zinc/28/43/72/1293284372.db2.gz RAFTYHVKJDOQRB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383303 1293284547 /nfs/dbraw/zinc/28/45/47/1293284547.db2.gz RTVMCWYUSIRQAB-XLIONFOSSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544887 1312991574 /nfs/dbraw/zinc/99/15/74/1312991574.db2.gz HGIPGWLWPFJRNA-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423921 1293302624 /nfs/dbraw/zinc/30/26/24/1293302624.db2.gz HSLKSLSMWHBLRS-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423921 1293302634 /nfs/dbraw/zinc/30/26/34/1293302634.db2.gz HSLKSLSMWHBLRS-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423921 1293302645 /nfs/dbraw/zinc/30/26/45/1293302645.db2.gz HSLKSLSMWHBLRS-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193425122 1293304860 /nfs/dbraw/zinc/30/48/60/1293304860.db2.gz SWAYNFXKPCSEKA-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425122 1293304864 /nfs/dbraw/zinc/30/48/64/1293304864.db2.gz SWAYNFXKPCSEKA-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425122 1293304871 /nfs/dbraw/zinc/30/48/71/1293304871.db2.gz SWAYNFXKPCSEKA-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275173 1293561665 /nfs/dbraw/zinc/56/16/65/1293561665.db2.gz POPSDEKEWAYBGI-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275173 1293561668 /nfs/dbraw/zinc/56/16/68/1293561668.db2.gz POPSDEKEWAYBGI-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275081 1293562515 /nfs/dbraw/zinc/56/25/15/1293562515.db2.gz NTIONNQZBGVSRP-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420655 1293626466 /nfs/dbraw/zinc/62/64/66/1293626466.db2.gz VBTACAHBRCVDMI-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420655 1293626471 /nfs/dbraw/zinc/62/64/71/1293626471.db2.gz VBTACAHBRCVDMI-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862000 1313015884 /nfs/dbraw/zinc/01/58/84/1313015884.db2.gz RLOWQKUMUXIXOY-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563106 1313019006 /nfs/dbraw/zinc/01/90/06/1313019006.db2.gz CDVCYZVNUOAGCE-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563106 1313019010 /nfs/dbraw/zinc/01/90/10/1313019010.db2.gz CDVCYZVNUOAGCE-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563106 1313019012 /nfs/dbraw/zinc/01/90/12/1313019012.db2.gz CDVCYZVNUOAGCE-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571772 1313034050 /nfs/dbraw/zinc/03/40/50/1313034050.db2.gz GXTBSOCALDYMHB-MOPGFXCFSA-N 2 1 338.455 2.979 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924773 1313044575 /nfs/dbraw/zinc/04/45/75/1313044575.db2.gz YWNWLJBXYAZZAT-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918739 1313046730 /nfs/dbraw/zinc/04/67/30/1313046730.db2.gz BSDPJNKTUSZBTJ-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196162828 1294153781 /nfs/dbraw/zinc/15/37/81/1294153781.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196162828 1294153783 /nfs/dbraw/zinc/15/37/83/1294153783.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196162828 1294153788 /nfs/dbraw/zinc/15/37/88/1294153788.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2cncn2c1 ZINC001049589689 1313058572 /nfs/dbraw/zinc/05/85/72/1313058572.db2.gz AWCPEWUGSPXKSJ-DLBZAZTESA-N 2 1 344.846 2.766 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196388618 1294220930 /nfs/dbraw/zinc/22/09/30/1294220930.db2.gz QPRLTTWABAHRBB-UHFFFAOYSA-N 2 1 326.444 2.757 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985949 1313072831 /nfs/dbraw/zinc/07/28/31/1313072831.db2.gz NFEDLFOIRMYEJF-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204068592 1313075264 /nfs/dbraw/zinc/07/52/64/1313075264.db2.gz IAOUHSXOVURFTA-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204068592 1313075268 /nfs/dbraw/zinc/07/52/68/1313075268.db2.gz IAOUHSXOVURFTA-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158158 1294470470 /nfs/dbraw/zinc/47/04/70/1294470470.db2.gz JRHHPIFHQCNTID-AEFFLSMTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158158 1294470473 /nfs/dbraw/zinc/47/04/73/1294470473.db2.gz JRHHPIFHQCNTID-AEFFLSMTSA-N 2 1 344.503 2.643 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303707369 1294562957 /nfs/dbraw/zinc/56/29/57/1294562957.db2.gz MGJRZCHWLDQIGU-APWZRJJASA-N 2 1 344.503 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774867 1294577295 /nfs/dbraw/zinc/57/72/95/1294577295.db2.gz GGPLLHQVDBPJGE-ROUUACIJSA-N 2 1 331.508 2.512 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303783213 1294581818 /nfs/dbraw/zinc/58/18/18/1294581818.db2.gz OADFPOFEPXSCNN-CQSZACIVSA-N 2 1 334.464 2.695 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000303881936 1294598336 /nfs/dbraw/zinc/59/83/36/1294598336.db2.gz HYBQWMZISHJDAB-KBPBESRZSA-N 2 1 334.464 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885111 1294598506 /nfs/dbraw/zinc/59/85/06/1294598506.db2.gz MZBHTBRPRCNSPA-KRWDZBQOSA-N 2 1 332.492 2.610 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000303893754 1294599634 /nfs/dbraw/zinc/59/96/34/1294599634.db2.gz OKQRFOCDYGNSDC-QGZVFWFLSA-N 2 1 346.519 2.749 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000303894355 1294599721 /nfs/dbraw/zinc/59/97/21/1294599721.db2.gz SOQJGWNKQRQUAB-HNNXBMFYSA-N 2 1 338.455 2.869 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000303894355 1294599732 /nfs/dbraw/zinc/59/97/32/1294599732.db2.gz SOQJGWNKQRQUAB-HNNXBMFYSA-N 2 1 338.455 2.869 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000303893012 1294600118 /nfs/dbraw/zinc/60/01/18/1294600118.db2.gz NZHDDPJUCHFZMF-UONOGXRCSA-N 2 1 334.464 2.693 20 30 EFEDMP CCCCOc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000303902335 1294601468 /nfs/dbraw/zinc/60/14/68/1294601468.db2.gz TVVYQJINEIAGTJ-GOSISDBHSA-N 2 1 346.519 2.797 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000303990561 1294616082 /nfs/dbraw/zinc/61/60/82/1294616082.db2.gz YVKRZRFLKTWLAU-CYBMUJFWSA-N 2 1 334.464 2.693 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615347 1313089157 /nfs/dbraw/zinc/08/91/57/1313089157.db2.gz JEFBECOAAQJPAU-GUDVDZBRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615348 1313089281 /nfs/dbraw/zinc/08/92/81/1313089281.db2.gz JEFBECOAAQJPAU-IPMKNSEASA-N 2 1 331.504 2.502 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345897 1313109097 /nfs/dbraw/zinc/10/90/97/1313109097.db2.gz NRXZZJPHKRLPEE-MOPGFXCFSA-N 2 1 335.536 2.831 20 30 EFEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204266249 1313111307 /nfs/dbraw/zinc/11/13/07/1313111307.db2.gz VTIKBRWNRGGTIE-SFHVURJKSA-N 2 1 346.496 2.791 20 30 EFEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204266249 1313111309 /nfs/dbraw/zinc/11/13/09/1313111309.db2.gz VTIKBRWNRGGTIE-SFHVURJKSA-N 2 1 346.496 2.791 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCCCC=C)CC2)CC1 ZINC001198236636 1294948809 /nfs/dbraw/zinc/94/88/09/1294948809.db2.gz QFLNRSMJBWEWRF-UHFFFAOYSA-N 2 1 345.531 2.612 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258958 1294960124 /nfs/dbraw/zinc/96/01/24/1294960124.db2.gz HCUNQHUFCVPKTJ-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617645 1295144698 /nfs/dbraw/zinc/14/46/98/1295144698.db2.gz PRLMEBJQTUSACJ-ZWKOTPCHSA-N 2 1 345.487 2.503 20 30 EFEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000887134156 1295288133 /nfs/dbraw/zinc/28/81/33/1295288133.db2.gz DCMIIKXERQWSOB-QGZVFWFLSA-N 2 1 328.460 2.693 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198902860 1295303571 /nfs/dbraw/zinc/30/35/71/1295303571.db2.gz QWCKFDSFBWVYON-FUHWJXTLSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049669865 1313161546 /nfs/dbraw/zinc/16/15/46/1313161546.db2.gz BHBZRWMVHPLTAP-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669865 1313161547 /nfs/dbraw/zinc/16/15/47/1313161547.db2.gz BHBZRWMVHPLTAP-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669865 1313161550 /nfs/dbraw/zinc/16/15/50/1313161550.db2.gz BHBZRWMVHPLTAP-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049669864 1313161676 /nfs/dbraw/zinc/16/16/76/1313161676.db2.gz BHBZRWMVHPLTAP-INDMIFKZSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669864 1313161677 /nfs/dbraw/zinc/16/16/77/1313161677.db2.gz BHBZRWMVHPLTAP-INDMIFKZSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669864 1313161680 /nfs/dbraw/zinc/16/16/80/1313161680.db2.gz BHBZRWMVHPLTAP-INDMIFKZSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001234615068 1313169526 /nfs/dbraw/zinc/16/95/26/1313169526.db2.gz YHAHEFHTALMWRU-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001234615068 1313169528 /nfs/dbraw/zinc/16/95/28/1313169528.db2.gz YHAHEFHTALMWRU-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1cccc(C)c1 ZINC000304759202 1295750958 /nfs/dbraw/zinc/75/09/58/1295750958.db2.gz QXYRMOLYPOXVEY-IRXDYDNUSA-N 2 1 332.492 2.541 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754092 1295751223 /nfs/dbraw/zinc/75/12/23/1295751223.db2.gz LOUYYHRHBCWTAK-INIZCTEOSA-N 2 1 334.895 2.760 20 30 EFEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCCCC2 ZINC000304805969 1295761061 /nfs/dbraw/zinc/76/10/61/1295761061.db2.gz RSTXQOBAWYGTNO-IXDOHACOSA-N 2 1 336.524 2.503 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717936 1313220018 /nfs/dbraw/zinc/22/00/18/1313220018.db2.gz HQKJUKSDZGIJBY-WOJBJXKFSA-N 2 1 341.499 2.656 20 30 EFEDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205239729 1313257272 /nfs/dbraw/zinc/25/72/72/1313257272.db2.gz DBQQNWUJMXLMFZ-JOCHJYFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205291520 1313265480 /nfs/dbraw/zinc/26/54/80/1313265480.db2.gz WZRPSUSQXADSMV-GOSISDBHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325929 1313270189 /nfs/dbraw/zinc/27/01/89/1313270189.db2.gz JBGSOBKOWPMDDM-RBUKOAKNSA-N 2 1 347.478 2.626 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043579 1296558765 /nfs/dbraw/zinc/55/87/65/1296558765.db2.gz DSDRLGIBFRGKOE-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340120 1313272239 /nfs/dbraw/zinc/27/22/39/1313272239.db2.gz SPOXZXBLQWMAEE-MRXNPFEDSA-N 2 1 332.492 2.801 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767105 1313277276 /nfs/dbraw/zinc/27/72/76/1313277276.db2.gz NNVXLKFUZKMTCF-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768698 1313279301 /nfs/dbraw/zinc/27/93/01/1313279301.db2.gz YQMAGFLXRPOMED-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001276242347 1296672631 /nfs/dbraw/zinc/67/26/31/1296672631.db2.gz KHMRCVYOMPIWMG-OAQYLSRUSA-N 2 1 340.515 2.602 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461308 1313293526 /nfs/dbraw/zinc/29/35/26/1313293526.db2.gz HBXAHEGPSHTSJS-IBGZPJMESA-N 2 1 333.520 2.798 20 30 EFEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000776156263 1296740165 /nfs/dbraw/zinc/74/01/65/1296740165.db2.gz KDNDTVFHVRTHEG-GOSISDBHSA-N 2 1 340.515 2.987 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC#N)cc1 ZINC000776159074 1296758795 /nfs/dbraw/zinc/75/87/95/1296758795.db2.gz VQQYKHZZLNNHLI-UZLBHIALSA-N 2 1 343.471 2.883 20 30 EFEDMP C[C@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776163139 1296766579 /nfs/dbraw/zinc/76/65/79/1296766579.db2.gz PORJCTUFDCPTAM-KRWDZBQOSA-N 2 1 326.488 2.597 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518772 1313303502 /nfs/dbraw/zinc/30/35/02/1313303502.db2.gz KNYDOGSXJLCLTM-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428172 1313318839 /nfs/dbraw/zinc/31/88/39/1313318839.db2.gz PGQRFWPMKSPSOI-CVEARBPZSA-N 2 1 344.478 2.975 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807466 1313323605 /nfs/dbraw/zinc/32/36/05/1313323605.db2.gz SSMKBUOCFSNKHE-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001205673503 1313335054 /nfs/dbraw/zinc/33/50/54/1313335054.db2.gz RHTSYKJLSWQFHH-QFIPXVFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835538 1313365533 /nfs/dbraw/zinc/36/55/33/1313365533.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835538 1313365537 /nfs/dbraw/zinc/36/55/37/1313365537.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835538 1313365541 /nfs/dbraw/zinc/36/55/41/1313365541.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049837744 1313369059 /nfs/dbraw/zinc/36/90/59/1313369059.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837744 1313369061 /nfs/dbraw/zinc/36/90/61/1313369061.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837744 1313369064 /nfs/dbraw/zinc/36/90/64/1313369064.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837253 1313369270 /nfs/dbraw/zinc/36/92/70/1313369270.db2.gz AMGYVRYMKXOCMW-UXHICEINSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111020518 1297381326 /nfs/dbraw/zinc/38/13/26/1297381326.db2.gz DSPPGYRFXZUOGD-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020518 1297381342 /nfs/dbraw/zinc/38/13/42/1297381342.db2.gz DSPPGYRFXZUOGD-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020518 1297381354 /nfs/dbraw/zinc/38/13/54/1297381354.db2.gz DSPPGYRFXZUOGD-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960677243 1297412007 /nfs/dbraw/zinc/41/20/07/1297412007.db2.gz SBNUURNIAUIVIL-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960677243 1297412012 /nfs/dbraw/zinc/41/20/12/1297412012.db2.gz SBNUURNIAUIVIL-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960677243 1297412015 /nfs/dbraw/zinc/41/20/15/1297412015.db2.gz SBNUURNIAUIVIL-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960677243 1297412023 /nfs/dbraw/zinc/41/20/23/1297412023.db2.gz SBNUURNIAUIVIL-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846573 1313380499 /nfs/dbraw/zinc/38/04/99/1313380499.db2.gz KEEBVFJUOCJZJJ-MOPGFXCFSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846573 1313380501 /nfs/dbraw/zinc/38/05/01/1313380501.db2.gz KEEBVFJUOCJZJJ-MOPGFXCFSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549754 1313408909 /nfs/dbraw/zinc/40/89/09/1313408909.db2.gz LRKOCHYKAGHMBC-HCXYKTFWSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549754 1313408913 /nfs/dbraw/zinc/40/89/13/1313408913.db2.gz LRKOCHYKAGHMBC-HCXYKTFWSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549754 1313408914 /nfs/dbraw/zinc/40/89/14/1313408914.db2.gz LRKOCHYKAGHMBC-HCXYKTFWSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555652 1313412013 /nfs/dbraw/zinc/41/20/13/1313412013.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555652 1313412016 /nfs/dbraw/zinc/41/20/16/1313412016.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555652 1313412019 /nfs/dbraw/zinc/41/20/19/1313412019.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235962528 1313423635 /nfs/dbraw/zinc/42/36/35/1313423635.db2.gz MMSBJGORHYAPJH-UHFFFAOYSA-N 2 1 337.467 2.990 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235968554 1313424800 /nfs/dbraw/zinc/42/48/00/1313424800.db2.gz IPYOLRGFSPNXRY-FHLIZLRMSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235968554 1313424802 /nfs/dbraw/zinc/42/48/02/1313424802.db2.gz IPYOLRGFSPNXRY-FHLIZLRMSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235968556 1313424932 /nfs/dbraw/zinc/42/49/32/1313424932.db2.gz IPYOLRGFSPNXRY-OLMNPRSZSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235968556 1313424935 /nfs/dbraw/zinc/42/49/35/1313424935.db2.gz IPYOLRGFSPNXRY-OLMNPRSZSA-N 2 1 349.425 2.892 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282193 1313431528 /nfs/dbraw/zinc/43/15/28/1313431528.db2.gz RRUXWXWZDVWDDO-HKUYNNGSSA-N 2 1 337.552 2.983 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206287396 1313431929 /nfs/dbraw/zinc/43/19/29/1313431929.db2.gz CAWCMRFCYTXHNS-UHFFFAOYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615572 1297843555 /nfs/dbraw/zinc/84/35/55/1297843555.db2.gz JMZCPLQXWAGLDI-GJZGRUSLSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615572 1297843573 /nfs/dbraw/zinc/84/35/73/1297843573.db2.gz JMZCPLQXWAGLDI-GJZGRUSLSA-N 2 1 327.900 2.582 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439791 1298009389 /nfs/dbraw/zinc/00/93/89/1298009389.db2.gz VSZMTNKTGQENPC-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439791 1298009396 /nfs/dbraw/zinc/00/93/96/1298009396.db2.gz VSZMTNKTGQENPC-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439791 1298009407 /nfs/dbraw/zinc/00/94/07/1298009407.db2.gz VSZMTNKTGQENPC-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914621 1313477939 /nfs/dbraw/zinc/47/79/39/1313477939.db2.gz QYDNJYIXBOJZSV-AQNXPRMDSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914621 1313477942 /nfs/dbraw/zinc/47/79/42/1313477942.db2.gz QYDNJYIXBOJZSV-AQNXPRMDSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915368 1313479713 /nfs/dbraw/zinc/47/97/13/1313479713.db2.gz UJROZUWIKQUIMC-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017696326 1313480091 /nfs/dbraw/zinc/48/00/91/1313480091.db2.gz QSQSSTXXYJHFSF-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696326 1313480093 /nfs/dbraw/zinc/48/00/93/1313480093.db2.gz QSQSSTXXYJHFSF-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696326 1313480095 /nfs/dbraw/zinc/48/00/95/1313480095.db2.gz QSQSSTXXYJHFSF-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189203 1298275991 /nfs/dbraw/zinc/27/59/91/1298275991.db2.gz YKLNGVGRVNAGRF-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199069 1298304711 /nfs/dbraw/zinc/30/47/11/1298304711.db2.gz JMHAJQMZZBCSPI-ZWKOTPCHSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206002 1298323162 /nfs/dbraw/zinc/32/31/62/1298323162.db2.gz WWCHDIGRQJCZRT-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236582554 1313493851 /nfs/dbraw/zinc/49/38/51/1313493851.db2.gz RASOONAPCLHOAR-JLSDUUJJSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236582554 1313493852 /nfs/dbraw/zinc/49/38/52/1313493852.db2.gz RASOONAPCLHOAR-JLSDUUJJSA-N 2 1 349.425 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242730 1298403549 /nfs/dbraw/zinc/40/35/49/1298403549.db2.gz VQZOAYKOVPKVPQ-IRXDYDNUSA-N 2 1 345.487 2.701 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254801 1298428409 /nfs/dbraw/zinc/42/84/09/1298428409.db2.gz TYGVTONIIIKQAN-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289791 1298501649 /nfs/dbraw/zinc/50/16/49/1298501649.db2.gz CSESZCPOEAEXBT-UXHICEINSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961340399 1298579732 /nfs/dbraw/zinc/57/97/32/1298579732.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961340399 1298579738 /nfs/dbraw/zinc/57/97/38/1298579738.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961340399 1298579740 /nfs/dbraw/zinc/57/97/40/1298579740.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869144 1313530111 /nfs/dbraw/zinc/53/01/11/1313530111.db2.gz UYLHDXIHEGRAMD-HXUWFJFHSA-N 2 1 341.499 2.531 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961377987 1298649208 /nfs/dbraw/zinc/64/92/08/1298649208.db2.gz JRGIOQDXIHODJI-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377987 1298649221 /nfs/dbraw/zinc/64/92/21/1298649221.db2.gz JRGIOQDXIHODJI-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377987 1298649227 /nfs/dbraw/zinc/64/92/27/1298649227.db2.gz JRGIOQDXIHODJI-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395511 1298683263 /nfs/dbraw/zinc/68/32/63/1298683263.db2.gz KLSIUYDNIXOWKG-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395511 1298683266 /nfs/dbraw/zinc/68/32/66/1298683266.db2.gz KLSIUYDNIXOWKG-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395511 1298683272 /nfs/dbraw/zinc/68/32/72/1298683272.db2.gz KLSIUYDNIXOWKG-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961403520 1298695649 /nfs/dbraw/zinc/69/56/49/1298695649.db2.gz UUKOBLRUBLDPJV-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961430973 1298736372 /nfs/dbraw/zinc/73/63/72/1298736372.db2.gz HANNXBFKOKFSQO-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431071 1298736821 /nfs/dbraw/zinc/73/68/21/1298736821.db2.gz IBTZUJFMWOIBFF-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431071 1298736827 /nfs/dbraw/zinc/73/68/27/1298736827.db2.gz IBTZUJFMWOIBFF-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431071 1298736834 /nfs/dbraw/zinc/73/68/34/1298736834.db2.gz IBTZUJFMWOIBFF-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236898835 1313549377 /nfs/dbraw/zinc/54/93/77/1313549377.db2.gz PJXQDBFDKLMXPG-UHFFFAOYSA-N 2 1 334.467 2.942 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793249 1298869033 /nfs/dbraw/zinc/86/90/33/1298869033.db2.gz MHEGAJJRCSTSTQ-SJORKVTESA-N 2 1 344.503 2.504 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980218 1313580102 /nfs/dbraw/zinc/58/01/02/1313580102.db2.gz LLGJOBZNYKKTPO-NZSAHSFTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+](C)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237095506 1313585821 /nfs/dbraw/zinc/58/58/21/1313585821.db2.gz IQOLSNLYMVIXCP-UHFFFAOYSA-N 2 1 338.293 2.819 20 30 EFEDMP C(#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CNCCO3)cc1)c1ccccc1 ZINC001237143264 1313592677 /nfs/dbraw/zinc/59/26/77/1313592677.db2.gz QNWHADFJVHQNRU-QFIPXVFZSA-N 2 1 332.447 2.651 20 30 EFEDMP C(#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CNCCO3)cc1)c1ccccc1 ZINC001237143264 1313592679 /nfs/dbraw/zinc/59/26/79/1313592679.db2.gz QNWHADFJVHQNRU-QFIPXVFZSA-N 2 1 332.447 2.651 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(C)c2OC)CC1 ZINC001237506325 1313658443 /nfs/dbraw/zinc/65/84/43/1313658443.db2.gz VVMGISDJWCZCJR-UHFFFAOYSA-N 2 1 343.515 2.795 20 30 EFEDMP C#Cc1cccnc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000853417433 1300111173 /nfs/dbraw/zinc/11/11/73/1300111173.db2.gz DTNOKKFYGDZEJN-UHFFFAOYSA-N 2 1 340.515 2.695 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416980 1300155860 /nfs/dbraw/zinc/15/58/60/1300155860.db2.gz VMKKABRTMIBLQZ-QRVBRYPASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001114502010 1300331361 /nfs/dbraw/zinc/33/13/61/1300331361.db2.gz MCPJYXCISVBPAZ-WCIQWLHISA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502010 1300331375 /nfs/dbraw/zinc/33/13/75/1300331375.db2.gz MCPJYXCISVBPAZ-WCIQWLHISA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502010 1300331391 /nfs/dbraw/zinc/33/13/91/1300331391.db2.gz MCPJYXCISVBPAZ-WCIQWLHISA-N 2 1 347.547 2.900 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000776739497 1300553675 /nfs/dbraw/zinc/55/36/75/1300553675.db2.gz RTNWDRPXAMRZCS-KSSFIOAISA-N 2 1 331.435 2.991 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307039 1300559484 /nfs/dbraw/zinc/55/94/84/1300559484.db2.gz VWIWNHVFTFSXQZ-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000963309722 1300568127 /nfs/dbraw/zinc/56/81/27/1300568127.db2.gz AQEPFEPIFDKCFE-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309722 1300568130 /nfs/dbraw/zinc/56/81/30/1300568130.db2.gz AQEPFEPIFDKCFE-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309722 1300568134 /nfs/dbraw/zinc/56/81/34/1300568134.db2.gz AQEPFEPIFDKCFE-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519417 1300579576 /nfs/dbraw/zinc/57/95/76/1300579576.db2.gz XHEJENPSSFBILH-PIIMJCKOSA-N 2 1 333.520 2.632 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315246 1300579807 /nfs/dbraw/zinc/57/98/07/1300579807.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315246 1300579813 /nfs/dbraw/zinc/57/98/13/1300579813.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315246 1300579819 /nfs/dbraw/zinc/57/98/19/1300579819.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328042 1300611843 /nfs/dbraw/zinc/61/18/43/1300611843.db2.gz KZLDCJUZMBKDAU-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337310 1300633337 /nfs/dbraw/zinc/63/33/37/1300633337.db2.gz NQGLQJSXSAWPMU-MSOLQXFVSA-N 2 1 344.503 2.632 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345246 1300649909 /nfs/dbraw/zinc/64/99/09/1300649909.db2.gz FKULXKZRADWFCV-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360162 1300684801 /nfs/dbraw/zinc/68/48/01/1300684801.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360162 1300684804 /nfs/dbraw/zinc/68/48/04/1300684804.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360162 1300684805 /nfs/dbraw/zinc/68/48/05/1300684805.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963421901 1300820984 /nfs/dbraw/zinc/82/09/84/1300820984.db2.gz TYOKMTIEQJVAPN-FAFZWHIHSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963421903 1300821037 /nfs/dbraw/zinc/82/10/37/1300821037.db2.gz TYOKMTIEQJVAPN-TVPLGVNVSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176918 1313728347 /nfs/dbraw/zinc/72/83/47/1313728347.db2.gz SMUGCUGJXSVPIH-MKXGPGLRSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114563133 1300921159 /nfs/dbraw/zinc/92/11/59/1300921159.db2.gz UJGLSWCCCHTMGQ-BWTSREIZSA-N 2 1 340.471 2.965 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000963688839 1301218263 /nfs/dbraw/zinc/21/82/63/1301218263.db2.gz FBGWYTVLDXZPRC-UHFFFAOYSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000963837021 1301360502 /nfs/dbraw/zinc/36/05/02/1301360502.db2.gz AMCDVPSDIAVNIO-JUVOFCAFSA-N 2 1 341.927 2.828 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238104625 1313761236 /nfs/dbraw/zinc/76/12/36/1313761236.db2.gz MTRGHGPXHWEXDB-FQEVSTJZSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238104625 1313761239 /nfs/dbraw/zinc/76/12/39/1313761239.db2.gz MTRGHGPXHWEXDB-FQEVSTJZSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964643327 1302122640 /nfs/dbraw/zinc/12/26/40/1302122640.db2.gz JAKOOQYVFZFAQL-JDKNDNFBSA-N 2 1 345.531 2.987 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108002 1313849291 /nfs/dbraw/zinc/84/92/91/1313849291.db2.gz ZLOUOGKVTUNJRX-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001114368691 1302879976 /nfs/dbraw/zinc/87/99/76/1302879976.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368691 1302879984 /nfs/dbraw/zinc/87/99/84/1302879984.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368691 1302879992 /nfs/dbraw/zinc/87/99/92/1302879992.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453175 1303265102 /nfs/dbraw/zinc/26/51/02/1303265102.db2.gz BPEGMRAKVSGPTF-AWEZNQCLSA-N 2 1 347.450 2.775 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208352451 1313908190 /nfs/dbraw/zinc/90/81/90/1313908190.db2.gz FTIXUNJFUKCTGX-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208352451 1313908194 /nfs/dbraw/zinc/90/81/94/1313908194.db2.gz FTIXUNJFUKCTGX-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCCC)C1 ZINC001208356575 1313909463 /nfs/dbraw/zinc/90/94/63/1313909463.db2.gz VEJXLGLWUAHVFT-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCCC)C1 ZINC001208356575 1313909466 /nfs/dbraw/zinc/90/94/66/1313909466.db2.gz VEJXLGLWUAHVFT-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](CC)CC1)CCO2 ZINC001208599056 1313973000 /nfs/dbraw/zinc/97/30/00/1313973000.db2.gz DIMCLOMXZIYFGP-WOJBJXKFSA-N 2 1 336.520 2.792 20 30 EFEDMP C=C(Br)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122144858 1304281201 /nfs/dbraw/zinc/28/12/01/1304281201.db2.gz FSGWIHCIESIQBG-UHFFFAOYSA-N 2 1 333.314 2.965 20 30 EFEDMP C=C(Br)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122144858 1304281207 /nfs/dbraw/zinc/28/12/07/1304281207.db2.gz FSGWIHCIESIQBG-UHFFFAOYSA-N 2 1 333.314 2.965 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]2CC ZINC001208607091 1313976357 /nfs/dbraw/zinc/97/63/57/1313976357.db2.gz IZPXGDPSFKKILP-BJLQDIEVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]2CC ZINC001208607091 1313976360 /nfs/dbraw/zinc/97/63/60/1313976360.db2.gz IZPXGDPSFKKILP-BJLQDIEVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]2CC ZINC001208607091 1313976362 /nfs/dbraw/zinc/97/63/62/1313976362.db2.gz IZPXGDPSFKKILP-BJLQDIEVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]2CC ZINC001208607091 1313976365 /nfs/dbraw/zinc/97/63/65/1313976365.db2.gz IZPXGDPSFKKILP-BJLQDIEVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904509 1304419896 /nfs/dbraw/zinc/41/98/96/1304419896.db2.gz QEDVUDKECPVQFX-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397859 1304944047 /nfs/dbraw/zinc/94/40/47/1304944047.db2.gz SSKQTHCAYQEZGN-QAPCUYQASA-N 2 1 326.444 2.741 20 30 EFEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208850106 1314029020 /nfs/dbraw/zinc/02/90/20/1314029020.db2.gz XHOFRMKKKBJCBQ-UHFFFAOYSA-N 2 1 326.444 2.621 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725429 1305369078 /nfs/dbraw/zinc/36/90/78/1305369078.db2.gz SCIWNSLESBWUNB-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1CC ZINC001037967487 1305439191 /nfs/dbraw/zinc/43/91/91/1305439191.db2.gz PXEWTWIPCYNJBY-UONOGXRCSA-N 2 1 338.883 2.657 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001209007369 1314067871 /nfs/dbraw/zinc/06/78/71/1314067871.db2.gz SLIOZRDTUHHXPW-IXDOHACOSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007369 1314067875 /nfs/dbraw/zinc/06/78/75/1314067875.db2.gz SLIOZRDTUHHXPW-IXDOHACOSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007369 1314067879 /nfs/dbraw/zinc/06/78/79/1314067879.db2.gz SLIOZRDTUHHXPW-IXDOHACOSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327806 1306137018 /nfs/dbraw/zinc/13/70/18/1306137018.db2.gz SJMIWHVUKPYYTG-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018985824 1314121615 /nfs/dbraw/zinc/12/16/15/1314121615.db2.gz HGECTIZGQDNIBO-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018985824 1314121618 /nfs/dbraw/zinc/12/16/18/1314121618.db2.gz HGECTIZGQDNIBO-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968518068 1306424273 /nfs/dbraw/zinc/42/42/73/1306424273.db2.gz XMONMHLQHOMSFJ-QFBILLFUSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552081 1306448971 /nfs/dbraw/zinc/44/89/71/1306448971.db2.gz BSIQRCBFUTZLRY-RDJZCZTQSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552081 1306448975 /nfs/dbraw/zinc/44/89/75/1306448975.db2.gz BSIQRCBFUTZLRY-RDJZCZTQSA-N 2 1 330.476 2.554 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001209263762 1314128396 /nfs/dbraw/zinc/12/83/96/1314128396.db2.gz QBCSCPBSTURSST-FQEVSTJZSA-N 2 1 341.499 2.798 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001209263763 1314128501 /nfs/dbraw/zinc/12/85/01/1314128501.db2.gz QBCSCPBSTURSST-HXUWFJFHSA-N 2 1 341.499 2.798 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001209263057 1314128568 /nfs/dbraw/zinc/12/85/68/1314128568.db2.gz GNAMJDSJOQURNL-FQEVSTJZSA-N 2 1 348.531 2.629 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579918 1314132373 /nfs/dbraw/zinc/13/23/73/1314132373.db2.gz KPWACPMUAIRLIS-YRXWBPOGSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673212 1306555823 /nfs/dbraw/zinc/55/58/23/1306555823.db2.gz JBIRCOYYJODGHV-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681090 1306563505 /nfs/dbraw/zinc/56/35/05/1306563505.db2.gz GQERGRDZTSLJJV-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856096 1306726242 /nfs/dbraw/zinc/72/62/42/1306726242.db2.gz DSHFBBNKHKNHMA-RTBURBONSA-N 2 1 333.520 2.655 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860055 1306731265 /nfs/dbraw/zinc/73/12/65/1306731265.db2.gz XIQTVVMCMGRPHG-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCN(CC[NH+]1CCC2(CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276635598 1314144940 /nfs/dbraw/zinc/14/49/40/1314144940.db2.gz QBLBVAFYDLPVCY-UHFFFAOYSA-N 2 1 337.508 2.827 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936704 1306816462 /nfs/dbraw/zinc/81/64/62/1306816462.db2.gz OGQQHJPKQDEULT-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969001998 1306876575 /nfs/dbraw/zinc/87/65/75/1306876575.db2.gz IEMJJOWHGIROJT-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969001998 1306876580 /nfs/dbraw/zinc/87/65/80/1306876580.db2.gz IEMJJOWHGIROJT-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969001998 1306876584 /nfs/dbraw/zinc/87/65/84/1306876584.db2.gz IEMJJOWHGIROJT-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045438668 1307338975 /nfs/dbraw/zinc/33/89/75/1307338975.db2.gz VNOWXKKUHVNWAP-HNNXBMFYSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438668 1307338979 /nfs/dbraw/zinc/33/89/79/1307338979.db2.gz VNOWXKKUHVNWAP-HNNXBMFYSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007435523 1307433704 /nfs/dbraw/zinc/43/37/04/1307433704.db2.gz AZEKGSKSFSPXES-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007435523 1307433708 /nfs/dbraw/zinc/43/37/08/1307433708.db2.gz AZEKGSKSFSPXES-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938299 1307940115 /nfs/dbraw/zinc/94/01/15/1307940115.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938299 1307940119 /nfs/dbraw/zinc/94/01/19/1307940119.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938299 1307940122 /nfs/dbraw/zinc/94/01/22/1307940122.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938302 1307940520 /nfs/dbraw/zinc/94/05/20/1307940520.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938302 1307940526 /nfs/dbraw/zinc/94/05/26/1307940526.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938302 1307940536 /nfs/dbraw/zinc/94/05/36/1307940536.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938300 1307941048 /nfs/dbraw/zinc/94/10/48/1307941048.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938300 1307941051 /nfs/dbraw/zinc/94/10/51/1307941051.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938300 1307941055 /nfs/dbraw/zinc/94/10/55/1307941055.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939042 1307942062 /nfs/dbraw/zinc/94/20/62/1307942062.db2.gz SXOLLDHGTVEJNJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939042 1307942066 /nfs/dbraw/zinc/94/20/66/1307942066.db2.gz SXOLLDHGTVEJNJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939042 1307942072 /nfs/dbraw/zinc/94/20/72/1307942072.db2.gz SXOLLDHGTVEJNJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699331 1314218892 /nfs/dbraw/zinc/21/88/92/1314218892.db2.gz ZLXXAVKWQCOBLP-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943894 1307959215 /nfs/dbraw/zinc/95/92/15/1307959215.db2.gz QVNYANRVSNOEJN-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C2 ZINC001045945013 1307962965 /nfs/dbraw/zinc/96/29/65/1307962965.db2.gz MJQMNRCVVKPDED-MBOZVWFJSA-N 2 1 342.487 2.794 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945013 1307962970 /nfs/dbraw/zinc/96/29/70/1307962970.db2.gz MJQMNRCVVKPDED-MBOZVWFJSA-N 2 1 342.487 2.794 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945013 1307962973 /nfs/dbraw/zinc/96/29/73/1307962973.db2.gz MJQMNRCVVKPDED-MBOZVWFJSA-N 2 1 342.487 2.794 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945726 1307965389 /nfs/dbraw/zinc/96/53/89/1307965389.db2.gz YEOALKYVRNNVIY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945726 1307965391 /nfs/dbraw/zinc/96/53/91/1307965391.db2.gz YEOALKYVRNNVIY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945726 1307965394 /nfs/dbraw/zinc/96/53/94/1307965394.db2.gz YEOALKYVRNNVIY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949141 1307975051 /nfs/dbraw/zinc/97/50/51/1307975051.db2.gz YMSJTAQRZABQCN-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949141 1307975059 /nfs/dbraw/zinc/97/50/59/1307975059.db2.gz YMSJTAQRZABQCN-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949141 1307975064 /nfs/dbraw/zinc/97/50/64/1307975064.db2.gz YMSJTAQRZABQCN-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958876 1308001612 /nfs/dbraw/zinc/00/16/12/1308001612.db2.gz YTTSMMIWORPEFZ-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960696 1308005735 /nfs/dbraw/zinc/00/57/35/1308005735.db2.gz QOWOZMXAHHGIHJ-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965046 1308018775 /nfs/dbraw/zinc/01/87/75/1308018775.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965046 1308018780 /nfs/dbraw/zinc/01/87/80/1308018780.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965046 1308018785 /nfs/dbraw/zinc/01/87/85/1308018785.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965571 1308020008 /nfs/dbraw/zinc/02/00/08/1308020008.db2.gz JFJODCFGCBRCGH-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965571 1308020017 /nfs/dbraw/zinc/02/00/17/1308020017.db2.gz JFJODCFGCBRCGH-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965571 1308020023 /nfs/dbraw/zinc/02/00/23/1308020023.db2.gz JFJODCFGCBRCGH-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966846 1308023668 /nfs/dbraw/zinc/02/36/68/1308023668.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966846 1308023674 /nfs/dbraw/zinc/02/36/74/1308023674.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966846 1308023677 /nfs/dbraw/zinc/02/36/77/1308023677.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966847 1308023944 /nfs/dbraw/zinc/02/39/44/1308023944.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966847 1308023946 /nfs/dbraw/zinc/02/39/46/1308023946.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966847 1308023950 /nfs/dbraw/zinc/02/39/50/1308023950.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045973505 1308043533 /nfs/dbraw/zinc/04/35/33/1308043533.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973505 1308043536 /nfs/dbraw/zinc/04/35/36/1308043536.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973505 1308043540 /nfs/dbraw/zinc/04/35/40/1308043540.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973859 1308044802 /nfs/dbraw/zinc/04/48/02/1308044802.db2.gz VZPLZPAEMFHEKM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976610 1308052591 /nfs/dbraw/zinc/05/25/91/1308052591.db2.gz HEKJPXHGBGNHTJ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979661 1308063078 /nfs/dbraw/zinc/06/30/78/1308063078.db2.gz JEUVTPZMVMNYKQ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979661 1308063084 /nfs/dbraw/zinc/06/30/84/1308063084.db2.gz JEUVTPZMVMNYKQ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979661 1308063089 /nfs/dbraw/zinc/06/30/89/1308063089.db2.gz JEUVTPZMVMNYKQ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979403 1308063171 /nfs/dbraw/zinc/06/31/71/1308063171.db2.gz DCBZPKLCPLPENZ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979403 1308063175 /nfs/dbraw/zinc/06/31/75/1308063175.db2.gz DCBZPKLCPLPENZ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979403 1308063183 /nfs/dbraw/zinc/06/31/83/1308063183.db2.gz DCBZPKLCPLPENZ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979663 1308063193 /nfs/dbraw/zinc/06/31/93/1308063193.db2.gz JEUVTPZMVMNYKQ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979663 1308063201 /nfs/dbraw/zinc/06/32/01/1308063201.db2.gz JEUVTPZMVMNYKQ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979663 1308063204 /nfs/dbraw/zinc/06/32/04/1308063204.db2.gz JEUVTPZMVMNYKQ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980097 1308065386 /nfs/dbraw/zinc/06/53/86/1308065386.db2.gz QSMZXWIUNZLJQP-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980097 1308065391 /nfs/dbraw/zinc/06/53/91/1308065391.db2.gz QSMZXWIUNZLJQP-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980097 1308065394 /nfs/dbraw/zinc/06/53/94/1308065394.db2.gz QSMZXWIUNZLJQP-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986369 1308087125 /nfs/dbraw/zinc/08/71/25/1308087125.db2.gz OMXNHMQIYYPZRM-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541527 1308144189 /nfs/dbraw/zinc/14/41/89/1308144189.db2.gz RIWQYPCRSPYJGN-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540920 1308144478 /nfs/dbraw/zinc/14/44/78/1308144478.db2.gz QEPUFFXOIIOVSA-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090544 1308564326 /nfs/dbraw/zinc/56/43/26/1308564326.db2.gz HRPOWPGIFXQIFC-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090544 1308564330 /nfs/dbraw/zinc/56/43/30/1308564330.db2.gz HRPOWPGIFXQIFC-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931823 1314260624 /nfs/dbraw/zinc/26/06/24/1314260624.db2.gz MEPUJNJJINTXBX-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104449 1308772082 /nfs/dbraw/zinc/77/20/82/1308772082.db2.gz JOROIULMFNNFLY-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104449 1308772084 /nfs/dbraw/zinc/77/20/84/1308772084.db2.gz JOROIULMFNNFLY-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104449 1308772087 /nfs/dbraw/zinc/77/20/87/1308772087.db2.gz JOROIULMFNNFLY-YDZRNGNQSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854509 1314274251 /nfs/dbraw/zinc/27/42/51/1314274251.db2.gz IQSXZJHRPRSBNI-AQNXPRMDSA-N 2 1 341.499 2.702 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046617990 1308937706 /nfs/dbraw/zinc/93/77/06/1308937706.db2.gz BFHICWONEIPXFB-HXUWFJFHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760878 1309289439 /nfs/dbraw/zinc/28/94/39/1309289439.db2.gz NXVXYZSQWIOUHW-FQEVSTJZSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046954296 1309757121 /nfs/dbraw/zinc/75/71/21/1309757121.db2.gz QLDVXACVYBVXNO-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954296 1309757131 /nfs/dbraw/zinc/75/71/31/1309757131.db2.gz QLDVXACVYBVXNO-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954296 1309757138 /nfs/dbraw/zinc/75/71/38/1309757138.db2.gz QLDVXACVYBVXNO-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046954155 1309757984 /nfs/dbraw/zinc/75/79/84/1309757984.db2.gz QLDVXACVYBVXNO-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954155 1309757989 /nfs/dbraw/zinc/75/79/89/1309757989.db2.gz QLDVXACVYBVXNO-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954155 1309757996 /nfs/dbraw/zinc/75/79/96/1309757996.db2.gz QLDVXACVYBVXNO-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046954876 1309760048 /nfs/dbraw/zinc/76/00/48/1309760048.db2.gz UQFIENFUWDVHDG-HNNXBMFYSA-N 2 1 348.397 2.597 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046996814 1309885260 /nfs/dbraw/zinc/88/52/60/1309885260.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046996814 1309885272 /nfs/dbraw/zinc/88/52/72/1309885272.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046996814 1309885281 /nfs/dbraw/zinc/88/52/81/1309885281.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764646 1314358474 /nfs/dbraw/zinc/35/84/74/1314358474.db2.gz QBPVLROVRSWOAR-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764646 1314358479 /nfs/dbraw/zinc/35/84/79/1314358479.db2.gz QBPVLROVRSWOAR-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764646 1314358484 /nfs/dbraw/zinc/35/84/84/1314358484.db2.gz QBPVLROVRSWOAR-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786956 1314373251 /nfs/dbraw/zinc/37/32/51/1314373251.db2.gz FNDOWGQULMVFBU-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786788 1314372366 /nfs/dbraw/zinc/37/23/66/1314372366.db2.gz BTSWADASWXRWHQ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047264847 1310456435 /nfs/dbraw/zinc/45/64/35/1310456435.db2.gz VEBOUNGFZOKLGV-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265437 1310458179 /nfs/dbraw/zinc/45/81/79/1310458179.db2.gz RIASTGMCDLRPEC-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632638 1314403973 /nfs/dbraw/zinc/40/39/73/1314403973.db2.gz TZTSNDXLACNKPJ-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712582 1311017265 /nfs/dbraw/zinc/01/72/65/1311017265.db2.gz HKNDRASXNIPRSQ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018391 /nfs/dbraw/zinc/01/83/91/1311018391.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018395 /nfs/dbraw/zinc/01/83/95/1311018395.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018396 /nfs/dbraw/zinc/01/83/96/1311018396.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715455 1311018637 /nfs/dbraw/zinc/01/86/37/1311018637.db2.gz SIMDTTFVFVWGHQ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813755 1311036174 /nfs/dbraw/zinc/03/61/74/1311036174.db2.gz YEKPVWMOYRZXAO-IPMKNSEASA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813755 1311036177 /nfs/dbraw/zinc/03/61/77/1311036177.db2.gz YEKPVWMOYRZXAO-IPMKNSEASA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813755 1311036179 /nfs/dbraw/zinc/03/61/79/1311036179.db2.gz YEKPVWMOYRZXAO-IPMKNSEASA-N 2 1 335.536 2.974 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877649 1311047101 /nfs/dbraw/zinc/04/71/01/1311047101.db2.gz BOSBSWRCLPDWSR-QRVBRYPASA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098871057 1311048591 /nfs/dbraw/zinc/04/85/91/1311048591.db2.gz ZXKZMZZDNGHUPB-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871057 1311048594 /nfs/dbraw/zinc/04/85/94/1311048594.db2.gz ZXKZMZZDNGHUPB-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871057 1311048598 /nfs/dbraw/zinc/04/85/98/1311048598.db2.gz ZXKZMZZDNGHUPB-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910450 1311052541 /nfs/dbraw/zinc/05/25/41/1311052541.db2.gz BOBDKGQAPOPGBL-DFQSSKMNSA-N 2 1 347.547 2.994 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942614 1311057169 /nfs/dbraw/zinc/05/71/69/1311057169.db2.gz SMCLIMGHRMAJHI-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942614 1311057174 /nfs/dbraw/zinc/05/71/74/1311057174.db2.gz SMCLIMGHRMAJHI-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942614 1311057176 /nfs/dbraw/zinc/05/71/76/1311057176.db2.gz SMCLIMGHRMAJHI-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942614 1311057180 /nfs/dbraw/zinc/05/71/80/1311057180.db2.gz SMCLIMGHRMAJHI-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942614 1311057183 /nfs/dbraw/zinc/05/71/83/1311057183.db2.gz SMCLIMGHRMAJHI-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942594 1311057647 /nfs/dbraw/zinc/05/76/47/1311057647.db2.gz RVVBBSUGIOXHCF-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942594 1311057650 /nfs/dbraw/zinc/05/76/50/1311057650.db2.gz RVVBBSUGIOXHCF-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942594 1311057654 /nfs/dbraw/zinc/05/76/54/1311057654.db2.gz RVVBBSUGIOXHCF-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942594 1311057655 /nfs/dbraw/zinc/05/76/55/1311057655.db2.gz RVVBBSUGIOXHCF-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945485 1311058557 /nfs/dbraw/zinc/05/85/57/1311058557.db2.gz QXVZPFQQGZRVTF-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945485 1311058561 /nfs/dbraw/zinc/05/85/61/1311058561.db2.gz QXVZPFQQGZRVTF-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945485 1311058565 /nfs/dbraw/zinc/05/85/65/1311058565.db2.gz QXVZPFQQGZRVTF-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001222018206 1311069398 /nfs/dbraw/zinc/06/93/98/1311069398.db2.gz RNZIPVVXNOZXDF-QZTJIDSGSA-N 2 1 332.492 2.695 20 30 EFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222018206 1311069401 /nfs/dbraw/zinc/06/94/01/1311069401.db2.gz RNZIPVVXNOZXDF-QZTJIDSGSA-N 2 1 332.492 2.695 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222018206 1311069405 /nfs/dbraw/zinc/06/94/05/1311069405.db2.gz RNZIPVVXNOZXDF-QZTJIDSGSA-N 2 1 332.492 2.695 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089894 1311082521 /nfs/dbraw/zinc/08/25/21/1311082521.db2.gz ZBAFDXPLFHJZGJ-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344956 1311089156 /nfs/dbraw/zinc/08/91/56/1311089156.db2.gz QWQUOPOFHMMIAS-IBGZPJMESA-N 2 1 347.547 2.883 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099547214 1311101133 /nfs/dbraw/zinc/10/11/33/1311101133.db2.gz BBHVCOQSDQXVST-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547214 1311101135 /nfs/dbraw/zinc/10/11/35/1311101135.db2.gz BBHVCOQSDQXVST-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547214 1311101137 /nfs/dbraw/zinc/10/11/37/1311101137.db2.gz BBHVCOQSDQXVST-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099548202 1311101350 /nfs/dbraw/zinc/10/13/50/1311101350.db2.gz RLSCFPOKXMKQQN-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548202 1311101354 /nfs/dbraw/zinc/10/13/54/1311101354.db2.gz RLSCFPOKXMKQQN-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548202 1311101357 /nfs/dbraw/zinc/10/13/57/1311101357.db2.gz RLSCFPOKXMKQQN-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001223194863 1311229284 /nfs/dbraw/zinc/22/92/84/1311229284.db2.gz TYSONCWPIBMWPZ-RBUKOAKNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223201051 1311229706 /nfs/dbraw/zinc/22/97/06/1311229706.db2.gz YGKMAPKLSXCAKJ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312834 1311232468 /nfs/dbraw/zinc/23/24/68/1311232468.db2.gz NRYDMXDIOTXNEE-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312834 1311232470 /nfs/dbraw/zinc/23/24/70/1311232470.db2.gz NRYDMXDIOTXNEE-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312834 1311232472 /nfs/dbraw/zinc/23/24/72/1311232472.db2.gz NRYDMXDIOTXNEE-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001223248004 1311232618 /nfs/dbraw/zinc/23/26/18/1311232618.db2.gz AOWKWTAMPKKOEH-YTQUADARSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001223248003 1311232713 /nfs/dbraw/zinc/23/27/13/1311232713.db2.gz AOWKWTAMPKKOEH-NZSAHSFTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551523 1311249365 /nfs/dbraw/zinc/24/93/65/1311249365.db2.gz ORJTWHILNVIWTB-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505504 1311270119 /nfs/dbraw/zinc/27/01/19/1311270119.db2.gz FWLQAHFEQXFCLS-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505504 1311270123 /nfs/dbraw/zinc/27/01/23/1311270123.db2.gz FWLQAHFEQXFCLS-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505504 1311270125 /nfs/dbraw/zinc/27/01/25/1311270125.db2.gz FWLQAHFEQXFCLS-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512255 1311270810 /nfs/dbraw/zinc/27/08/10/1311270810.db2.gz DCKMHHDHFIHTPV-QYZOEREBSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911991 1311320193 /nfs/dbraw/zinc/32/01/93/1311320193.db2.gz LKJSSDVFIBTSEZ-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001224233782 1311364183 /nfs/dbraw/zinc/36/41/83/1311364183.db2.gz YWTUQXHBIJDNTM-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001224247996 1311366213 /nfs/dbraw/zinc/36/62/13/1311366213.db2.gz DYNGQGMZTUXZOY-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290050 1311371347 /nfs/dbraw/zinc/37/13/47/1311371347.db2.gz XSUNXLJYPBLSAR-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763211 1311382593 /nfs/dbraw/zinc/38/25/93/1311382593.db2.gz BRBPIIDESLPKHB-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546932 1311405544 /nfs/dbraw/zinc/40/55/44/1311405544.db2.gz SVSJNUXVAGRIJP-MJGOQNOKSA-N 2 1 337.552 2.983 20 30 EFEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872490 1311406705 /nfs/dbraw/zinc/40/67/05/1311406705.db2.gz MEZBBWVCBWSZNC-LJQANCHMSA-N 2 1 333.520 2.589 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001224570618 1311409119 /nfs/dbraw/zinc/40/91/19/1311409119.db2.gz YWQFPYKAFNWSFF-UHFFFAOYSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225652637 1311559991 /nfs/dbraw/zinc/55/99/91/1311559991.db2.gz HUMMKQGWOCTSER-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225652637 1311559993 /nfs/dbraw/zinc/55/99/93/1311559993.db2.gz HUMMKQGWOCTSER-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313908 1311613750 /nfs/dbraw/zinc/61/37/50/1311613750.db2.gz RBFZWMABBXSRIA-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313908 1311613754 /nfs/dbraw/zinc/61/37/54/1311613754.db2.gz RBFZWMABBXSRIA-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313908 1311613758 /nfs/dbraw/zinc/61/37/58/1311613758.db2.gz RBFZWMABBXSRIA-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267265 1311639379 /nfs/dbraw/zinc/63/93/79/1311639379.db2.gz DXMRNZFONNBTNW-DFQSSKMNSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169039 1311658671 /nfs/dbraw/zinc/65/86/71/1311658671.db2.gz HFIRZPUGLHELCY-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169039 1311658673 /nfs/dbraw/zinc/65/86/73/1311658673.db2.gz HFIRZPUGLHELCY-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169039 1311658677 /nfs/dbraw/zinc/65/86/77/1311658677.db2.gz HFIRZPUGLHELCY-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169002 1311658917 /nfs/dbraw/zinc/65/89/17/1311658917.db2.gz FJXCYWIOHDSZDR-QGZVFWFLSA-N 2 1 342.487 2.558 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169002 1311658922 /nfs/dbraw/zinc/65/89/22/1311658922.db2.gz FJXCYWIOHDSZDR-QGZVFWFLSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001160209215 1311665205 /nfs/dbraw/zinc/66/52/05/1311665205.db2.gz DHWHWSJCBCYUAH-ICSRJNTNSA-N 2 1 341.499 2.558 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001160209215 1311665207 /nfs/dbraw/zinc/66/52/07/1311665207.db2.gz DHWHWSJCBCYUAH-ICSRJNTNSA-N 2 1 341.499 2.558 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285949 1311679815 /nfs/dbraw/zinc/67/98/15/1311679815.db2.gz MAJYSLOTOPRWGN-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285949 1311679819 /nfs/dbraw/zinc/67/98/19/1311679819.db2.gz MAJYSLOTOPRWGN-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285949 1311679823 /nfs/dbraw/zinc/67/98/23/1311679823.db2.gz MAJYSLOTOPRWGN-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160292437 1311682283 /nfs/dbraw/zinc/68/22/83/1311682283.db2.gz NNSZXBALCRIXRB-GOSISDBHSA-N 2 1 339.499 2.771 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360853 1311697117 /nfs/dbraw/zinc/69/71/17/1311697117.db2.gz XMIFGZNNGPSEQJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360853 1311697120 /nfs/dbraw/zinc/69/71/20/1311697120.db2.gz XMIFGZNNGPSEQJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360853 1311697124 /nfs/dbraw/zinc/69/71/24/1311697124.db2.gz XMIFGZNNGPSEQJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360680 1311697257 /nfs/dbraw/zinc/69/72/57/1311697257.db2.gz URYUJZKNNSSNCZ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360680 1311697260 /nfs/dbraw/zinc/69/72/60/1311697260.db2.gz URYUJZKNNSSNCZ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360680 1311697265 /nfs/dbraw/zinc/69/72/65/1311697265.db2.gz URYUJZKNNSSNCZ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(CC)CC)CC1 ZINC001160385887 1311701210 /nfs/dbraw/zinc/70/12/10/1311701210.db2.gz ADARYYQSVUTPKK-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001160385887 1311701213 /nfs/dbraw/zinc/70/12/13/1311701213.db2.gz ADARYYQSVUTPKK-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160385887 1311701215 /nfs/dbraw/zinc/70/12/15/1311701215.db2.gz ADARYYQSVUTPKK-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160385887 1311701218 /nfs/dbraw/zinc/70/12/18/1311701218.db2.gz ADARYYQSVUTPKK-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277152020 1311716031 /nfs/dbraw/zinc/71/60/31/1311716031.db2.gz OVPXWOOAOIQWSE-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001226860153 1311733993 /nfs/dbraw/zinc/73/39/93/1311733993.db2.gz JMJURRYYKCFMDZ-QRVBRYPASA-N 2 1 347.547 2.927 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001226860153 1311733996 /nfs/dbraw/zinc/73/39/96/1311733996.db2.gz JMJURRYYKCFMDZ-QRVBRYPASA-N 2 1 347.547 2.927 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856525 1311797445 /nfs/dbraw/zinc/79/74/45/1311797445.db2.gz NIHKHXBTNZFGCG-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857083 1311798124 /nfs/dbraw/zinc/79/81/24/1311798124.db2.gz WEEYCISFUUTHRO-UHFFFAOYSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857083 1311798126 /nfs/dbraw/zinc/79/81/26/1311798126.db2.gz WEEYCISFUUTHRO-UHFFFAOYSA-N 2 1 339.911 2.752 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277224519 1311828648 /nfs/dbraw/zinc/82/86/48/1311828648.db2.gz CECYEBNMJYXOJJ-FXAWDEMLSA-N 2 1 335.536 2.974 20 30 EFEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990472 1311830314 /nfs/dbraw/zinc/83/03/14/1311830314.db2.gz AXLBAXXYTAPYNC-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990472 1311830318 /nfs/dbraw/zinc/83/03/18/1311830318.db2.gz AXLBAXXYTAPYNC-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792747 1311856419 /nfs/dbraw/zinc/85/64/19/1311856419.db2.gz UOGRTJRXABJTCI-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791761 1311856573 /nfs/dbraw/zinc/85/65/73/1311856573.db2.gz GFSSZLNPJDIYES-RDJZCZTQSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048525334 1311861218 /nfs/dbraw/zinc/86/12/18/1311861218.db2.gz CHXOXLXZWIRZEL-RNQOJCNYSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048530060 1311867563 /nfs/dbraw/zinc/86/75/63/1311867563.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530060 1311867565 /nfs/dbraw/zinc/86/75/65/1311867565.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530060 1311867568 /nfs/dbraw/zinc/86/75/68/1311867568.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391869 1311877756 /nfs/dbraw/zinc/87/77/56/1311877756.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391869 1311877759 /nfs/dbraw/zinc/87/77/59/1311877759.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391869 1311877762 /nfs/dbraw/zinc/87/77/62/1311877762.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538261 1311879276 /nfs/dbraw/zinc/87/92/76/1311879276.db2.gz NQSJWLYELITCBF-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538261 1311879278 /nfs/dbraw/zinc/87/92/78/1311879278.db2.gz NQSJWLYELITCBF-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538261 1311879280 /nfs/dbraw/zinc/87/92/80/1311879280.db2.gz NQSJWLYELITCBF-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048542427 1311884188 /nfs/dbraw/zinc/88/41/88/1311884188.db2.gz DRDPNMDADVZVDW-BCDXTJNWSA-N 2 1 331.504 2.550 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543246 1311885753 /nfs/dbraw/zinc/88/57/53/1311885753.db2.gz QQFDONLEFLDLIO-BCDXTJNWSA-N 2 1 331.504 2.550 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001161439106 1311889683 /nfs/dbraw/zinc/88/96/83/1311889683.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 1 330.476 2.693 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001161439106 1311889687 /nfs/dbraw/zinc/88/96/87/1311889687.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 1 330.476 2.693 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444252 1311890743 /nfs/dbraw/zinc/89/07/43/1311890743.db2.gz AODRMYNOSGPCSO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444252 1311890747 /nfs/dbraw/zinc/89/07/47/1311890747.db2.gz AODRMYNOSGPCSO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444252 1311890751 /nfs/dbraw/zinc/89/07/51/1311890751.db2.gz AODRMYNOSGPCSO-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216166 1311916345 /nfs/dbraw/zinc/91/63/45/1311916345.db2.gz SZEKXHASSQAZLM-QXAKKESOSA-N 2 1 344.503 2.737 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570656 1311918198 /nfs/dbraw/zinc/91/81/98/1311918198.db2.gz UEPBTELESDDCLA-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570656 1311918200 /nfs/dbraw/zinc/91/82/00/1311918200.db2.gz UEPBTELESDDCLA-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570656 1311918201 /nfs/dbraw/zinc/91/82/01/1311918201.db2.gz UEPBTELESDDCLA-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001228307929 1311928263 /nfs/dbraw/zinc/92/82/63/1311928263.db2.gz QTWFFDYZNNYPCV-MRXNPFEDSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583421 1311933138 /nfs/dbraw/zinc/93/31/38/1311933138.db2.gz KOTAFFLUCDOYKT-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584836 1311935134 /nfs/dbraw/zinc/93/51/34/1311935134.db2.gz CWPCJWSSYUEYFA-JTJHWIPRSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001048584836 1311935136 /nfs/dbraw/zinc/93/51/36/1311935136.db2.gz CWPCJWSSYUEYFA-JTJHWIPRSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001048584836 1311935138 /nfs/dbraw/zinc/93/51/38/1311935138.db2.gz CWPCJWSSYUEYFA-JTJHWIPRSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048589980 1311941538 /nfs/dbraw/zinc/94/15/38/1311941538.db2.gz GGDOTDJJAHXVBR-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589980 1311941541 /nfs/dbraw/zinc/94/15/41/1311941541.db2.gz GGDOTDJJAHXVBR-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589980 1311941544 /nfs/dbraw/zinc/94/15/44/1311941544.db2.gz GGDOTDJJAHXVBR-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698712 1311953267 /nfs/dbraw/zinc/95/32/67/1311953267.db2.gz AQRCPJPWXGKLJC-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161698712 1311953271 /nfs/dbraw/zinc/95/32/71/1311953271.db2.gz AQRCPJPWXGKLJC-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161698712 1311953274 /nfs/dbraw/zinc/95/32/74/1311953274.db2.gz AQRCPJPWXGKLJC-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704694 1311955437 /nfs/dbraw/zinc/95/54/37/1311955437.db2.gz GFAKQNKPXODZKM-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705167 1311955484 /nfs/dbraw/zinc/95/54/84/1311955484.db2.gz MSVCSDWIBWVSSU-OALUTQOASA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705166 1311956019 /nfs/dbraw/zinc/95/60/19/1311956019.db2.gz MSVCSDWIBWVSSU-MOPGFXCFSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716402 1311958677 /nfs/dbraw/zinc/95/86/77/1311958677.db2.gz QOIVJLBYUVHHJV-UHFFFAOYSA-N 2 1 345.531 2.967 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602617 1311968532 /nfs/dbraw/zinc/96/85/32/1311968532.db2.gz IFAUABVAXWVKCV-GPMSIDNRSA-N 2 1 339.499 2.792 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869837 1311991511 /nfs/dbraw/zinc/99/15/11/1311991511.db2.gz NAKCRXTWNXAVLW-INIZCTEOSA-N 2 1 330.476 2.685 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869837 1311991513 /nfs/dbraw/zinc/99/15/13/1311991513.db2.gz NAKCRXTWNXAVLW-INIZCTEOSA-N 2 1 330.476 2.685 20 30 EFEDMP Cc1cccc2nc(Cl)c(C#N)c(NCC[NH+]3CCC([NH3+])CC3)c12 ZINC001161873197 1311991979 /nfs/dbraw/zinc/99/19/79/1311991979.db2.gz ZGJKLLLCNJSYGL-UHFFFAOYSA-N 2 1 343.862 2.903 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCCCC)CC2)CC1 ZINC001161946825 1312010841 /nfs/dbraw/zinc/01/08/41/1312010841.db2.gz GMWRZISEQHNLPD-UHFFFAOYSA-N 2 1 345.531 2.660 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952671 1312012129 /nfs/dbraw/zinc/01/21/29/1312012129.db2.gz IIQGKLREULPEHW-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228865172 1312012369 /nfs/dbraw/zinc/01/23/69/1312012369.db2.gz VKLDJUCIJNMFHD-DOTOQJQBSA-N 2 1 344.503 2.689 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952672 1312012478 /nfs/dbraw/zinc/01/24/78/1312012478.db2.gz IIQGKLREULPEHW-HXUWFJFHSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015376138 1312084140 /nfs/dbraw/zinc/08/41/40/1312084140.db2.gz HRGGTPHADMFZNG-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001229400845 1312089500 /nfs/dbraw/zinc/08/95/00/1312089500.db2.gz MNBMSJZLPIHAAK-MRXNPFEDSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663565 1312146181 /nfs/dbraw/zinc/14/61/81/1312146181.db2.gz XEPSKUXBNNZVIJ-UHFFFAOYSA-N 2 1 332.492 2.604 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001162831650 1312186291 /nfs/dbraw/zinc/18/62/91/1312186291.db2.gz AGKALQRGFCHTAO-UHFFFAOYSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230284898 1312215287 /nfs/dbraw/zinc/21/52/87/1312215287.db2.gz CHAWHDQKHKGWRM-UHFFFAOYSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230287027 1312215748 /nfs/dbraw/zinc/21/57/48/1312215748.db2.gz VZNPHKIJVLTJLF-QRVBRYPASA-N 2 1 329.488 2.882 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977169 1312216955 /nfs/dbraw/zinc/21/69/55/1312216955.db2.gz IMXFQBJYVUGFSS-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977818 1312217461 /nfs/dbraw/zinc/21/74/61/1312217461.db2.gz XYDANALIMFQRTP-UHFFFAOYSA-N 2 1 331.504 2.565 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581221 1312272587 /nfs/dbraw/zinc/27/25/87/1312272587.db2.gz WZUQKQJNNMYZHF-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598554 1312278679 /nfs/dbraw/zinc/27/86/79/1312278679.db2.gz SIBWYQHQPZQOTA-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598612 1312279293 /nfs/dbraw/zinc/27/92/93/1312279293.db2.gz UUMFVCOXEWSEKK-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230605460 1312280401 /nfs/dbraw/zinc/28/04/01/1312280401.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605460 1312280403 /nfs/dbraw/zinc/28/04/03/1312280403.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605460 1312280407 /nfs/dbraw/zinc/28/04/07/1312280407.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611744 1312282969 /nfs/dbraw/zinc/28/29/69/1312282969.db2.gz ZHWVXDOHOJINJG-PMACEKPBSA-N 2 1 347.547 2.689 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610820 1312283311 /nfs/dbraw/zinc/28/33/11/1312283311.db2.gz IFVBMEHVTKXAKY-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230617848 1312286110 /nfs/dbraw/zinc/28/61/10/1312286110.db2.gz GPYSAYGXEFYTIY-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622646 1312288088 /nfs/dbraw/zinc/28/80/88/1312288088.db2.gz PMDPFOLNVYPSLK-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165643 1312533167 /nfs/dbraw/zinc/53/31/67/1312533167.db2.gz WRMGREVFOXRYSY-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165643 1312533171 /nfs/dbraw/zinc/53/31/71/1312533171.db2.gz WRMGREVFOXRYSY-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165643 1312533174 /nfs/dbraw/zinc/53/31/74/1312533174.db2.gz WRMGREVFOXRYSY-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531141 1312533593 /nfs/dbraw/zinc/53/35/93/1312533593.db2.gz AHQLIQOKNDYSCR-ZWKOTPCHSA-N 2 1 333.520 2.703 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531135 1312533600 /nfs/dbraw/zinc/53/36/00/1312533600.db2.gz AHQLIQOKNDYSCR-MSOLQXFVSA-N 2 1 333.520 2.703 20 30 EFEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001277543221 1312534538 /nfs/dbraw/zinc/53/45/38/1312534538.db2.gz KERDGQNOSYYUPL-UHFFFAOYSA-N 2 1 346.906 2.671 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270146 1312599329 /nfs/dbraw/zinc/59/93/29/1312599329.db2.gz CXBBXQZNONNGRA-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP Cc1ccc(CC#N)c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)[nH+]1 ZINC001165270895 1312599385 /nfs/dbraw/zinc/59/93/85/1312599385.db2.gz QLRKTEREARWDBU-HNNXBMFYSA-N 2 1 338.377 2.967 20 30 EFEDMP Cc1[nH+]c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ccc1CC#N ZINC001165271214 1312599503 /nfs/dbraw/zinc/59/95/03/1312599503.db2.gz UHERLNDQJFYOQJ-OAHLLOKOSA-N 2 1 338.377 2.967 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232151877 1312635155 /nfs/dbraw/zinc/63/51/55/1312635155.db2.gz QWFDUKSGEKMCNJ-GOSISDBHSA-N 2 1 349.450 2.764 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232151877 1312635156 /nfs/dbraw/zinc/63/51/56/1312635156.db2.gz QWFDUKSGEKMCNJ-GOSISDBHSA-N 2 1 349.450 2.764 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484373 1312636372 /nfs/dbraw/zinc/63/63/72/1312636372.db2.gz CTZSCXPSLVYNOL-DLBZAZTESA-N 2 1 344.503 2.991 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165545057 1312644867 /nfs/dbraw/zinc/64/48/67/1312644867.db2.gz AXSDRBVWMZYFKS-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165545057 1312644871 /nfs/dbraw/zinc/64/48/71/1312644871.db2.gz AXSDRBVWMZYFKS-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCC=C)CC1 ZINC001165545249 1312645753 /nfs/dbraw/zinc/64/57/53/1312645753.db2.gz IPIUNAGNKLUCSX-IBGZPJMESA-N 2 1 345.531 2.707 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCC=C)CC1 ZINC001165545249 1312645757 /nfs/dbraw/zinc/64/57/57/1312645757.db2.gz IPIUNAGNKLUCSX-IBGZPJMESA-N 2 1 345.531 2.707 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165545951 1312645766 /nfs/dbraw/zinc/64/57/66/1312645766.db2.gz UKXUTJOQZKVOSG-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165545951 1312645771 /nfs/dbraw/zinc/64/57/71/1312645771.db2.gz UKXUTJOQZKVOSG-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP Cc1ccc(CC#N)c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]1 ZINC001165670648 1312660537 /nfs/dbraw/zinc/66/05/37/1312660537.db2.gz SFORCJHHEJFPDN-QGZVFWFLSA-N 2 1 342.487 2.972 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447957 1314502708 /nfs/dbraw/zinc/50/27/08/1314502708.db2.gz QVYAWLNPYZBWPR-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447957 1314502712 /nfs/dbraw/zinc/50/27/12/1314502712.db2.gz QVYAWLNPYZBWPR-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447957 1314502717 /nfs/dbraw/zinc/50/27/17/1314502717.db2.gz QVYAWLNPYZBWPR-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447957 1314502719 /nfs/dbraw/zinc/50/27/19/1314502719.db2.gz QVYAWLNPYZBWPR-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955320 1314515531 /nfs/dbraw/zinc/51/55/31/1314515531.db2.gz CXKPWASYAVQZJX-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955320 1314515534 /nfs/dbraw/zinc/51/55/34/1314515534.db2.gz CXKPWASYAVQZJX-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955320 1314515538 /nfs/dbraw/zinc/51/55/38/1314515538.db2.gz CXKPWASYAVQZJX-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956275 1314516927 /nfs/dbraw/zinc/51/69/27/1314516927.db2.gz RAYCVCIQEMZNCS-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001052989381 1314545718 /nfs/dbraw/zinc/54/57/18/1314545718.db2.gz CKWXAAXQTCGODJ-KDURUIRLSA-N 2 1 347.547 2.994 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](C(C)C)CC2)C1 ZINC001052991076 1314547205 /nfs/dbraw/zinc/54/72/05/1314547205.db2.gz WGSCQOSWSWIMAX-KDURUIRLSA-N 2 1 345.531 2.891 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](C(C)C)CC2)C1 ZINC001052991076 1314547207 /nfs/dbraw/zinc/54/72/07/1314547207.db2.gz WGSCQOSWSWIMAX-KDURUIRLSA-N 2 1 345.531 2.891 20 30 EFEDMP C=CCCCCCC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001246001838 1314563541 /nfs/dbraw/zinc/56/35/41/1314563541.db2.gz OYMZISSRCCCKNU-ROUUACIJSA-N 2 1 340.508 2.690 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026978 1314568875 /nfs/dbraw/zinc/56/88/75/1314568875.db2.gz GRYARFGLSPMDOG-LJQANCHMSA-N 2 1 339.568 2.906 20 30 EFEDMP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246218028 1314598782 /nfs/dbraw/zinc/59/87/82/1314598782.db2.gz YQWUJAAFDLQHKZ-DYXWJJEUSA-N 2 1 342.483 2.839 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042251 1314622271 /nfs/dbraw/zinc/62/22/71/1314622271.db2.gz OWPXFIHOOPGWLO-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623485 /nfs/dbraw/zinc/62/34/85/1314623485.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623490 /nfs/dbraw/zinc/62/34/90/1314623490.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623491 /nfs/dbraw/zinc/62/34/91/1314623491.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050169 1314636029 /nfs/dbraw/zinc/63/60/29/1314636029.db2.gz IAKYRYHQWDHDHK-RBUKOAKNSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052313 1314640589 /nfs/dbraw/zinc/64/05/89/1314640589.db2.gz UMAINXFRWWVDJL-RTBURBONSA-N 2 1 333.520 2.609 20 30 EFEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246542456 1314644623 /nfs/dbraw/zinc/64/46/23/1314644623.db2.gz KQJIVJPSIRXDKW-SOAGJPPSSA-N 2 1 327.472 2.566 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055163 1314646160 /nfs/dbraw/zinc/64/61/60/1314646160.db2.gz WEQGJKASOTWZQM-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055163 1314646164 /nfs/dbraw/zinc/64/61/64/1314646164.db2.gz WEQGJKASOTWZQM-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020250933 1314689745 /nfs/dbraw/zinc/68/97/45/1314689745.db2.gz WZJSCZNZMIIZKS-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020250933 1314689748 /nfs/dbraw/zinc/68/97/48/1314689748.db2.gz WZJSCZNZMIIZKS-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889533 1314703606 /nfs/dbraw/zinc/70/36/06/1314703606.db2.gz FEWJIINUKGRUFQ-OALUTQOASA-N 2 1 326.488 2.847 20 30 EFEDMP CCCCCCCCC[C@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927459 1314709898 /nfs/dbraw/zinc/70/98/98/1314709898.db2.gz ZYQMYVJCZMGXLB-SFHVURJKSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCCCC[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927459 1314709902 /nfs/dbraw/zinc/70/99/02/1314709902.db2.gz ZYQMYVJCZMGXLB-SFHVURJKSA-N 2 1 342.572 2.631 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661945 1314722968 /nfs/dbraw/zinc/72/29/68/1314722968.db2.gz MAVAUOPUMYOIQC-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107748 1314731753 /nfs/dbraw/zinc/73/17/53/1314731753.db2.gz LMEYSPAUOKQRMQ-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107748 1314731759 /nfs/dbraw/zinc/73/17/59/1314731759.db2.gz LMEYSPAUOKQRMQ-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248076 1314817679 /nfs/dbraw/zinc/81/76/79/1314817679.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248076 1314817683 /nfs/dbraw/zinc/81/76/83/1314817683.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248076 1314817687 /nfs/dbraw/zinc/81/76/87/1314817687.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247910057 1314865204 /nfs/dbraw/zinc/86/52/04/1314865204.db2.gz ZCVTZERIPRJMQB-UHFFFAOYSA-N 2 1 337.427 2.540 20 30 EFEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249093796 1315018216 /nfs/dbraw/zinc/01/82/16/1315018216.db2.gz TXZYJOOXXPYIIQ-UHFFFAOYSA-N 2 1 346.438 2.648 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217933997 1315122230 /nfs/dbraw/zinc/12/22/30/1315122230.db2.gz QVOKXGPYKFOXLE-XUVXKRRUSA-N 2 1 330.472 2.601 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217933997 1315122233 /nfs/dbraw/zinc/12/22/33/1315122233.db2.gz QVOKXGPYKFOXLE-XUVXKRRUSA-N 2 1 330.472 2.601 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001218337687 1315181447 /nfs/dbraw/zinc/18/14/47/1315181447.db2.gz ZDTNHKUPRGUGET-IBGZPJMESA-N 2 1 333.435 2.857 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218457676 1315199501 /nfs/dbraw/zinc/19/95/01/1315199501.db2.gz YYUZNVZBSLSMDZ-WOJBJXKFSA-N 3 1 329.488 2.685 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054134016 1315345788 /nfs/dbraw/zinc/34/57/88/1315345788.db2.gz SAPDKTFJPXCYNE-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054134016 1315345792 /nfs/dbraw/zinc/34/57/92/1315345792.db2.gz SAPDKTFJPXCYNE-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144615 1315363291 /nfs/dbraw/zinc/36/32/91/1315363291.db2.gz AMTHVJMCPJEHER-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144615 1315363295 /nfs/dbraw/zinc/36/32/95/1315363295.db2.gz AMTHVJMCPJEHER-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144615 1315363300 /nfs/dbraw/zinc/36/33/00/1315363300.db2.gz AMTHVJMCPJEHER-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145895 1315365394 /nfs/dbraw/zinc/36/53/94/1315365394.db2.gz ZIZVLLYEORJFKO-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145895 1315365396 /nfs/dbraw/zinc/36/53/96/1315365396.db2.gz ZIZVLLYEORJFKO-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147144 1315367667 /nfs/dbraw/zinc/36/76/67/1315367667.db2.gz LGNNDSLBIDPVRO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147144 1315367670 /nfs/dbraw/zinc/36/76/70/1315367670.db2.gz LGNNDSLBIDPVRO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147144 1315367675 /nfs/dbraw/zinc/36/76/75/1315367675.db2.gz LGNNDSLBIDPVRO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147142 1315367684 /nfs/dbraw/zinc/36/76/84/1315367684.db2.gz LGNNDSLBIDPVRO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147142 1315367691 /nfs/dbraw/zinc/36/76/91/1315367691.db2.gz LGNNDSLBIDPVRO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147142 1315367693 /nfs/dbraw/zinc/36/76/93/1315367693.db2.gz LGNNDSLBIDPVRO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148850 1315370445 /nfs/dbraw/zinc/37/04/45/1315370445.db2.gz XKGCPVLXHJYNEZ-WMZOPIPTSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054152824 1315376741 /nfs/dbraw/zinc/37/67/41/1315376741.db2.gz HNOOIBFMZZUQIJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054152824 1315376746 /nfs/dbraw/zinc/37/67/46/1315376746.db2.gz HNOOIBFMZZUQIJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054152824 1315376748 /nfs/dbraw/zinc/37/67/48/1315376748.db2.gz HNOOIBFMZZUQIJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154375 1315379999 /nfs/dbraw/zinc/37/99/99/1315379999.db2.gz SRTUKOWIYDVAJN-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156824 1315383352 /nfs/dbraw/zinc/38/33/52/1315383352.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156824 1315383356 /nfs/dbraw/zinc/38/33/56/1315383356.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156824 1315383360 /nfs/dbraw/zinc/38/33/60/1315383360.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160041 1315388140 /nfs/dbraw/zinc/38/81/40/1315388140.db2.gz UAIRNTRFLCNYJJ-FQEVSTJZSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164221 1315395531 /nfs/dbraw/zinc/39/55/31/1315395531.db2.gz DNEVMVVWKAFSKX-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164796 1315396792 /nfs/dbraw/zinc/39/67/92/1315396792.db2.gz SCXWUOOGASEYDW-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184593 1315426270 /nfs/dbraw/zinc/42/62/70/1315426270.db2.gz HZGFLVOXCKNNHL-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184593 1315426272 /nfs/dbraw/zinc/42/62/72/1315426272.db2.gz HZGFLVOXCKNNHL-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184593 1315426275 /nfs/dbraw/zinc/42/62/75/1315426275.db2.gz HZGFLVOXCKNNHL-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192418 1315432901 /nfs/dbraw/zinc/43/29/01/1315432901.db2.gz XKGCPVLXHJYNEZ-SJLPKXTDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197794 1315442353 /nfs/dbraw/zinc/44/23/53/1315442353.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197794 1315442358 /nfs/dbraw/zinc/44/23/58/1315442358.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197794 1315442361 /nfs/dbraw/zinc/44/23/61/1315442361.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198010 1315443276 /nfs/dbraw/zinc/44/32/76/1315443276.db2.gz NIYRXRPYROZKPO-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198010 1315443281 /nfs/dbraw/zinc/44/32/81/1315443281.db2.gz NIYRXRPYROZKPO-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198010 1315443282 /nfs/dbraw/zinc/44/32/82/1315443282.db2.gz NIYRXRPYROZKPO-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252460526 1315452567 /nfs/dbraw/zinc/45/25/67/1315452567.db2.gz CPCNZBKGKKOOPE-IEBWSBKVSA-N 2 1 348.487 2.520 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209115 1315459421 /nfs/dbraw/zinc/45/94/21/1315459421.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209115 1315459425 /nfs/dbraw/zinc/45/94/25/1315459425.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209115 1315459430 /nfs/dbraw/zinc/45/94/30/1315459430.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209630 1315460276 /nfs/dbraw/zinc/46/02/76/1315460276.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209630 1315460278 /nfs/dbraw/zinc/46/02/78/1315460278.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209630 1315460281 /nfs/dbraw/zinc/46/02/81/1315460281.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209268 1315460459 /nfs/dbraw/zinc/46/04/59/1315460459.db2.gz MWHIOGYVQHSTBJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209476 1315460895 /nfs/dbraw/zinc/46/08/95/1315460895.db2.gz QYQMCYOGXQDSSY-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209881 1315462002 /nfs/dbraw/zinc/46/20/02/1315462002.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209881 1315462007 /nfs/dbraw/zinc/46/20/07/1315462007.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209881 1315462012 /nfs/dbraw/zinc/46/20/12/1315462012.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131696 1315513925 /nfs/dbraw/zinc/51/39/25/1315513925.db2.gz SGTWRFIDKKAXHD-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244405 1315515668 /nfs/dbraw/zinc/51/56/68/1315515668.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244405 1315515671 /nfs/dbraw/zinc/51/56/71/1315515671.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244405 1315515675 /nfs/dbraw/zinc/51/56/75/1315515675.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244828 1315515748 /nfs/dbraw/zinc/51/57/48/1315515748.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244828 1315515752 /nfs/dbraw/zinc/51/57/52/1315515752.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244828 1315515756 /nfs/dbraw/zinc/51/57/56/1315515756.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134554 1315519953 /nfs/dbraw/zinc/51/99/53/1315519953.db2.gz RWYBTVHGJYGEAC-ROUUACIJSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134554 1315519956 /nfs/dbraw/zinc/51/99/56/1315519956.db2.gz RWYBTVHGJYGEAC-ROUUACIJSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136566 1315522969 /nfs/dbraw/zinc/52/29/69/1315522969.db2.gz AFCHPUMLLFFOLH-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136566 1315522971 /nfs/dbraw/zinc/52/29/71/1315522971.db2.gz AFCHPUMLLFFOLH-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136566 1315522974 /nfs/dbraw/zinc/52/29/74/1315522974.db2.gz AFCHPUMLLFFOLH-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137158 1315524401 /nfs/dbraw/zinc/52/44/01/1315524401.db2.gz LQFWDKNKOBEIJS-GOSISDBHSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139553 1315527320 /nfs/dbraw/zinc/52/73/20/1315527320.db2.gz JAZFJHWHHIGDCZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139553 1315527323 /nfs/dbraw/zinc/52/73/23/1315527323.db2.gz JAZFJHWHHIGDCZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139553 1315527327 /nfs/dbraw/zinc/52/73/27/1315527327.db2.gz JAZFJHWHHIGDCZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139555 1315527588 /nfs/dbraw/zinc/52/75/88/1315527588.db2.gz JAZFJHWHHIGDCZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139555 1315527591 /nfs/dbraw/zinc/52/75/91/1315527591.db2.gz JAZFJHWHHIGDCZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139555 1315527595 /nfs/dbraw/zinc/52/75/95/1315527595.db2.gz JAZFJHWHHIGDCZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140794 1315529809 /nfs/dbraw/zinc/52/98/09/1315529809.db2.gz JPUSSIUBIWGPST-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140794 1315529811 /nfs/dbraw/zinc/52/98/11/1315529811.db2.gz JPUSSIUBIWGPST-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140794 1315529813 /nfs/dbraw/zinc/52/98/13/1315529813.db2.gz JPUSSIUBIWGPST-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252987676 1315546918 /nfs/dbraw/zinc/54/69/18/1315546918.db2.gz VLMKKTMLERBCDS-LJQANCHMSA-N 2 1 328.541 2.924 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566409 /nfs/dbraw/zinc/56/64/09/1315566409.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566414 /nfs/dbraw/zinc/56/64/14/1315566414.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566419 /nfs/dbraw/zinc/56/64/19/1315566419.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167662 1315569117 /nfs/dbraw/zinc/56/91/17/1315569117.db2.gz ZTBLHFXOVRTBEG-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647143 1315569281 /nfs/dbraw/zinc/56/92/81/1315569281.db2.gz SNJUUIOHQCRIQG-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647143 1315569284 /nfs/dbraw/zinc/56/92/84/1315569284.db2.gz SNJUUIOHQCRIQG-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647143 1315569286 /nfs/dbraw/zinc/56/92/86/1315569286.db2.gz SNJUUIOHQCRIQG-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182497 1315589816 /nfs/dbraw/zinc/58/98/16/1315589816.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182497 1315589819 /nfs/dbraw/zinc/58/98/19/1315589819.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182497 1315589821 /nfs/dbraw/zinc/58/98/21/1315589821.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208319 1315621183 /nfs/dbraw/zinc/62/11/83/1315621183.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208319 1315621188 /nfs/dbraw/zinc/62/11/88/1315621188.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208319 1315621195 /nfs/dbraw/zinc/62/11/95/1315621195.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219339 1315639432 /nfs/dbraw/zinc/63/94/32/1315639432.db2.gz SHGLUONULKPCFD-MJGOQNOKSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278747243 1315650324 /nfs/dbraw/zinc/65/03/24/1315650324.db2.gz JGJVOKKMUXVAHT-JKSUJKDBSA-N 2 1 345.478 2.612 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236298 1315661030 /nfs/dbraw/zinc/66/10/30/1315661030.db2.gz YPGQSMUWVNHXCK-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236860 1315661393 /nfs/dbraw/zinc/66/13/93/1315661393.db2.gz FVVJWAXJRJOLBO-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243712 1315672361 /nfs/dbraw/zinc/67/23/61/1315672361.db2.gz VWCPLCDERGOJOP-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039289137 1315703342 /nfs/dbraw/zinc/70/33/42/1315703342.db2.gz NPSLBOJONLWBID-ZNBHLAFESA-N 2 1 343.515 2.528 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039298086 1315707164 /nfs/dbraw/zinc/70/71/64/1315707164.db2.gz JKKGVKXAHWNMPJ-XYTVBORESA-N 2 1 339.911 2.725 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039302172 1315709251 /nfs/dbraw/zinc/70/92/51/1315709251.db2.gz ZHOSVZKQBUOGCP-IPQPSQTFSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)CC1 ZINC001254515914 1315713031 /nfs/dbraw/zinc/71/30/31/1315713031.db2.gz GKRLGIXVWBKMPK-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)CC1 ZINC001254515914 1315713035 /nfs/dbraw/zinc/71/30/35/1315713035.db2.gz GKRLGIXVWBKMPK-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)CC1 ZINC001254515914 1315713037 /nfs/dbraw/zinc/71/30/37/1315713037.db2.gz GKRLGIXVWBKMPK-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP N#Cc1cccc(O[C@H]2CCC[N@H+]([C@@H]3CC4CCN(CC4)C3)C2)c1 ZINC001254863459 1315751424 /nfs/dbraw/zinc/75/14/24/1315751424.db2.gz FDFGZMTZRCRCRS-QUCCMNQESA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(O[C@H]2CCCN([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863459 1315751427 /nfs/dbraw/zinc/75/14/27/1315751427.db2.gz FDFGZMTZRCRCRS-QUCCMNQESA-N 2 1 325.456 2.886 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397581 1315764048 /nfs/dbraw/zinc/76/40/48/1315764048.db2.gz ONGFUVNNSNWYCE-AEFFLSMTSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039397969 1315764560 /nfs/dbraw/zinc/76/45/60/1315764560.db2.gz IMNFQMIILSAQNI-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397969 1315764562 /nfs/dbraw/zinc/76/45/62/1315764562.db2.gz IMNFQMIILSAQNI-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397969 1315764563 /nfs/dbraw/zinc/76/45/63/1315764563.db2.gz IMNFQMIILSAQNI-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410810 1315772800 /nfs/dbraw/zinc/77/28/00/1315772800.db2.gz ADDVFZYGLMSFTN-QYZOEREBSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125213 1315779531 /nfs/dbraw/zinc/77/95/31/1315779531.db2.gz SAPOVIYHTOIAML-ACDBMABISA-N 2 1 341.499 2.854 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766477 1315810058 /nfs/dbraw/zinc/81/00/58/1315810058.db2.gz QAMNTKLRGBSDEV-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255397433 1315816746 /nfs/dbraw/zinc/81/67/46/1315816746.db2.gz OOCHFURERBBVSX-JQHSSLGASA-N 2 1 333.476 2.551 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255397433 1315816751 /nfs/dbraw/zinc/81/67/51/1315816751.db2.gz OOCHFURERBBVSX-JQHSSLGASA-N 2 1 333.476 2.551 20 30 EFEDMP C=C(C)CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283996 1315842768 /nfs/dbraw/zinc/84/27/68/1315842768.db2.gz VMKLZZVXWHUVTF-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283996 1315842771 /nfs/dbraw/zinc/84/27/71/1315842771.db2.gz VMKLZZVXWHUVTF-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283996 1315842775 /nfs/dbraw/zinc/84/27/75/1315842775.db2.gz VMKLZZVXWHUVTF-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255678454 1315857454 /nfs/dbraw/zinc/85/74/54/1315857454.db2.gz GPTOQUIKQLTZEF-VYFYYAICSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678454 1315857456 /nfs/dbraw/zinc/85/74/56/1315857456.db2.gz GPTOQUIKQLTZEF-VYFYYAICSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678454 1315857457 /nfs/dbraw/zinc/85/74/57/1315857457.db2.gz GPTOQUIKQLTZEF-VYFYYAICSA-N 2 1 334.504 2.828 20 30 EFEDMP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537896 1315954226 /nfs/dbraw/zinc/95/42/26/1315954226.db2.gz QQQFYQHJEXZBML-MJGOQNOKSA-N 2 1 326.488 2.617 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256623897 1315970623 /nfs/dbraw/zinc/97/06/23/1315970623.db2.gz NKJFIFIOIMHERC-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256623897 1315970625 /nfs/dbraw/zinc/97/06/25/1315970625.db2.gz NKJFIFIOIMHERC-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256623897 1315970628 /nfs/dbraw/zinc/97/06/28/1315970628.db2.gz NKJFIFIOIMHERC-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP CCOC(=O)C1CC[NH+](C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256963416 1316015169 /nfs/dbraw/zinc/01/51/69/1316015169.db2.gz HGMVFNKYJGGRRT-UHFFFAOYSA-N 2 1 347.503 2.808 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014117 1316110049 /nfs/dbraw/zinc/11/00/49/1316110049.db2.gz CJOXUBICOOJFDK-UXHICEINSA-N 2 1 336.520 2.933 20 30 EFEDMP CCCCCCCCC[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258231097 1316133797 /nfs/dbraw/zinc/13/37/97/1316133797.db2.gz HSTCKXAPLMPNAP-CVEARBPZSA-N 2 1 342.528 2.910 20 30 EFEDMP CCCCCCCCC[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258231098 1316133815 /nfs/dbraw/zinc/13/38/15/1316133815.db2.gz HSTCKXAPLMPNAP-HOTGVXAUSA-N 2 1 342.528 2.910 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209998 1316144568 /nfs/dbraw/zinc/14/45/68/1316144568.db2.gz MSEMACFTCYSXII-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209998 1316144572 /nfs/dbraw/zinc/14/45/72/1316144572.db2.gz MSEMACFTCYSXII-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209998 1316144574 /nfs/dbraw/zinc/14/45/74/1316144574.db2.gz MSEMACFTCYSXII-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211388 1316146146 /nfs/dbraw/zinc/14/61/46/1316146146.db2.gz ZIKKAJUYOASZNB-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](CCC)CC3)C2)CC1 ZINC001258771829 1316176533 /nfs/dbraw/zinc/17/65/33/1316176533.db2.gz WXMMSNCNPYGPHF-UHFFFAOYSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276607 1316179682 /nfs/dbraw/zinc/17/96/82/1316179682.db2.gz NXENVYXGZASKRP-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276607 1316179683 /nfs/dbraw/zinc/17/96/83/1316179683.db2.gz NXENVYXGZASKRP-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276607 1316179684 /nfs/dbraw/zinc/17/96/84/1316179684.db2.gz NXENVYXGZASKRP-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327732 1316203767 /nfs/dbraw/zinc/20/37/67/1316203767.db2.gz HNHJMWXBDNHYSZ-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347421 1316213889 /nfs/dbraw/zinc/21/38/89/1316213889.db2.gz KXDLHXUGKJLJSD-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347421 1316213892 /nfs/dbraw/zinc/21/38/92/1316213892.db2.gz KXDLHXUGKJLJSD-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347421 1316213895 /nfs/dbraw/zinc/21/38/95/1316213895.db2.gz KXDLHXUGKJLJSD-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380408 1316231218 /nfs/dbraw/zinc/23/12/18/1316231218.db2.gz QPEUIHSBQXWMOQ-AEFFLSMTSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380408 1316231221 /nfs/dbraw/zinc/23/12/21/1316231221.db2.gz QPEUIHSBQXWMOQ-AEFFLSMTSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430895 1316260994 /nfs/dbraw/zinc/26/09/94/1316260994.db2.gz DKRXIQJLFZTSNN-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432675 1316262730 /nfs/dbraw/zinc/26/27/30/1316262730.db2.gz PQHRLQKWIIEGKQ-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464712 1316280177 /nfs/dbraw/zinc/28/01/77/1316280177.db2.gz PFBQHLJZKVCRKI-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487717 1316289617 /nfs/dbraw/zinc/28/96/17/1316289617.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487717 1316289620 /nfs/dbraw/zinc/28/96/20/1316289620.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487717 1316289622 /nfs/dbraw/zinc/28/96/22/1316289622.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545437 1316316949 /nfs/dbraw/zinc/31/69/49/1316316949.db2.gz QBUVWVIWBKFBES-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548068 1316317910 /nfs/dbraw/zinc/31/79/10/1316317910.db2.gz POQUAJBGRVSHQH-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548068 1316317914 /nfs/dbraw/zinc/31/79/14/1316317914.db2.gz POQUAJBGRVSHQH-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040722172 1316359939 /nfs/dbraw/zinc/35/99/39/1316359939.db2.gz OUPYEQXSYBTCTA-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040727431 1316361593 /nfs/dbraw/zinc/36/15/93/1316361593.db2.gz QZDLNPPQORVHGR-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733152 1316362599 /nfs/dbraw/zinc/36/25/99/1316362599.db2.gz PQBKKKVUKDCWQZ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745550 1316365458 /nfs/dbraw/zinc/36/54/58/1316365458.db2.gz OEARKRPDRHLDLU-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746080 1316365542 /nfs/dbraw/zinc/36/55/42/1316365542.db2.gz VNSVYTPFGSUEKM-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757016 1316368656 /nfs/dbraw/zinc/36/86/56/1316368656.db2.gz LPGSNOCPKXWZGW-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040816968 1316381484 /nfs/dbraw/zinc/38/14/84/1316381484.db2.gz ITVPVUMMZYSWKK-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875120 1316395016 /nfs/dbraw/zinc/39/50/16/1316395016.db2.gz RYIUCXSCEDQCEP-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001040876077 1316395498 /nfs/dbraw/zinc/39/54/98/1316395498.db2.gz ALIWIIAUYOBQPT-QGZVFWFLSA-N 2 1 344.503 2.869 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738097 1316410450 /nfs/dbraw/zinc/41/04/50/1316410450.db2.gz FRUACDSOAKFAKD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738097 1316410451 /nfs/dbraw/zinc/41/04/51/1316410451.db2.gz FRUACDSOAKFAKD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738097 1316410453 /nfs/dbraw/zinc/41/04/53/1316410453.db2.gz FRUACDSOAKFAKD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285693 1316502556 /nfs/dbraw/zinc/50/25/56/1316502556.db2.gz GJWIHWJHOSDIBH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286990 1316503293 /nfs/dbraw/zinc/50/32/93/1316503293.db2.gz OKENURWIVFDBSB-NQIIRXRSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041286990 1316503295 /nfs/dbraw/zinc/50/32/95/1316503295.db2.gz OKENURWIVFDBSB-NQIIRXRSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041286990 1316503297 /nfs/dbraw/zinc/50/32/97/1316503297.db2.gz OKENURWIVFDBSB-NQIIRXRSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358380 1316526777 /nfs/dbraw/zinc/52/67/77/1316526777.db2.gz NKMHXLHMENJVBH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358380 1316526781 /nfs/dbraw/zinc/52/67/81/1316526781.db2.gz NKMHXLHMENJVBH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358380 1316526784 /nfs/dbraw/zinc/52/67/84/1316526784.db2.gz NKMHXLHMENJVBH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357967 1316527028 /nfs/dbraw/zinc/52/70/28/1316527028.db2.gz JRBPJFZBRLYAMR-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357967 1316527031 /nfs/dbraw/zinc/52/70/31/1316527031.db2.gz JRBPJFZBRLYAMR-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357967 1316527035 /nfs/dbraw/zinc/52/70/35/1316527035.db2.gz JRBPJFZBRLYAMR-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358028 1316527084 /nfs/dbraw/zinc/52/70/84/1316527084.db2.gz KPCQSGFYBGWEOK-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358028 1316527086 /nfs/dbraw/zinc/52/70/86/1316527086.db2.gz KPCQSGFYBGWEOK-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358028 1316527088 /nfs/dbraw/zinc/52/70/88/1316527088.db2.gz KPCQSGFYBGWEOK-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432495 1316550359 /nfs/dbraw/zinc/55/03/59/1316550359.db2.gz QJUYVQPGJJPBSF-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432495 1316550361 /nfs/dbraw/zinc/55/03/61/1316550361.db2.gz QJUYVQPGJJPBSF-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432495 1316550362 /nfs/dbraw/zinc/55/03/62/1316550362.db2.gz QJUYVQPGJJPBSF-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506289 1316570091 /nfs/dbraw/zinc/57/00/91/1316570091.db2.gz QKGQIEDKUOYZRT-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506291 1316570354 /nfs/dbraw/zinc/57/03/54/1316570354.db2.gz QKGQIEDKUOYZRT-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587813 1316609944 /nfs/dbraw/zinc/60/99/44/1316609944.db2.gz SIOIVEJVJNHVDX-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587813 1316609945 /nfs/dbraw/zinc/60/99/45/1316609945.db2.gz SIOIVEJVJNHVDX-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587813 1316609949 /nfs/dbraw/zinc/60/99/49/1316609949.db2.gz SIOIVEJVJNHVDX-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723419 1316665690 /nfs/dbraw/zinc/66/56/90/1316665690.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723419 1316665694 /nfs/dbraw/zinc/66/56/94/1316665694.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723419 1316665697 /nfs/dbraw/zinc/66/56/97/1316665697.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724339 1316666302 /nfs/dbraw/zinc/66/63/02/1316666302.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724339 1316666305 /nfs/dbraw/zinc/66/63/05/1316666305.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724339 1316666308 /nfs/dbraw/zinc/66/63/08/1316666308.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725144 1316668090 /nfs/dbraw/zinc/66/80/90/1316668090.db2.gz KSWIGRHCUAWLSE-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778694 1316693727 /nfs/dbraw/zinc/69/37/27/1316693727.db2.gz DYXYDVDZZCHWFT-LEWJYISDSA-N 2 1 341.499 2.574 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782186 1316696476 /nfs/dbraw/zinc/69/64/76/1316696476.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782186 1316696479 /nfs/dbraw/zinc/69/64/79/1316696479.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782186 1316696482 /nfs/dbraw/zinc/69/64/82/1316696482.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782233 1316696801 /nfs/dbraw/zinc/69/68/01/1316696801.db2.gz TWJWABNYUBZNSF-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782233 1316696804 /nfs/dbraw/zinc/69/68/04/1316696804.db2.gz TWJWABNYUBZNSF-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782233 1316696806 /nfs/dbraw/zinc/69/68/06/1316696806.db2.gz TWJWABNYUBZNSF-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042086021 1316869586 /nfs/dbraw/zinc/86/95/86/1316869586.db2.gz UJIAFFUPCGVDND-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042086021 1316869588 /nfs/dbraw/zinc/86/95/88/1316869588.db2.gz UJIAFFUPCGVDND-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125237 1316896318 /nfs/dbraw/zinc/89/63/18/1316896318.db2.gz QIJQHKDKEBNLRY-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125237 1316896320 /nfs/dbraw/zinc/89/63/20/1316896320.db2.gz QIJQHKDKEBNLRY-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125237 1316896324 /nfs/dbraw/zinc/89/63/24/1316896324.db2.gz QIJQHKDKEBNLRY-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254084 1317038092 /nfs/dbraw/zinc/03/80/92/1317038092.db2.gz ZJWBBILLASKHJU-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254084 1317038099 /nfs/dbraw/zinc/03/80/99/1317038099.db2.gz ZJWBBILLASKHJU-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042257050 1317044463 /nfs/dbraw/zinc/04/44/63/1317044463.db2.gz CPNNVCDPZOMHAD-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042257050 1317044472 /nfs/dbraw/zinc/04/44/72/1317044472.db2.gz CPNNVCDPZOMHAD-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268678 1317065883 /nfs/dbraw/zinc/06/58/83/1317065883.db2.gz FJZYZSGZAIBICJ-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297924 1317111678 /nfs/dbraw/zinc/11/16/78/1317111678.db2.gz XXFSSVYUDPYEPI-UYAOXDASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042315860 1317138573 /nfs/dbraw/zinc/13/85/73/1317138573.db2.gz DJFOKUQGOKSTFI-QFBILLFUSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042315860 1317138580 /nfs/dbraw/zinc/13/85/80/1317138580.db2.gz DJFOKUQGOKSTFI-QFBILLFUSA-N 2 1 342.487 2.650 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279145006 1317198258 /nfs/dbraw/zinc/19/82/58/1317198258.db2.gz FYXFHIOERPXETQ-UHFFFAOYSA-N 2 1 349.482 2.743 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230111 /nfs/dbraw/zinc/23/01/11/1317230111.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230118 /nfs/dbraw/zinc/23/01/18/1317230118.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230124 /nfs/dbraw/zinc/23/01/24/1317230124.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230132 /nfs/dbraw/zinc/23/01/32/1317230132.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279869455 1317405529 /nfs/dbraw/zinc/40/55/29/1317405529.db2.gz GGABNVKXVLSKID-UHFFFAOYSA-N 2 1 349.482 2.942 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001381259707 1348169110 /nfs/dbraw/zinc/16/91/10/1348169110.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001381259707 1348169112 /nfs/dbraw/zinc/16/91/12/1348169112.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001381259707 1348169113 /nfs/dbraw/zinc/16/91/13/1348169113.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001326277001 1329743876 /nfs/dbraw/zinc/74/38/76/1329743876.db2.gz GTHYUVLOPLCEEB-UHFFFAOYSA-N 2 1 329.488 2.939 20 30 EFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134362 1330671969 /nfs/dbraw/zinc/67/19/69/1330671969.db2.gz JTXJOEGZYHUWGE-QGZVFWFLSA-N 2 1 328.460 2.597 20 30 EFEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134360 1330672088 /nfs/dbraw/zinc/67/20/88/1330672088.db2.gz JTXJOEGZYHUWGE-KRWDZBQOSA-N 2 1 328.460 2.597 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC001335439779 1331347490 /nfs/dbraw/zinc/34/74/90/1331347490.db2.gz HKHNXXPNMOOSCU-UHFFFAOYSA-N 2 1 331.435 2.540 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001335985999 1331424341 /nfs/dbraw/zinc/42/43/41/1331424341.db2.gz HYUDIZMDKMQSKV-QGZVFWFLSA-N 2 1 340.389 2.816 20 30 EFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110516 1331793035 /nfs/dbraw/zinc/79/30/35/1331793035.db2.gz QFMQNNZDJVEXIN-QGZVFWFLSA-N 2 1 346.523 2.541 20 30 EFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110516 1331793050 /nfs/dbraw/zinc/79/30/50/1331793050.db2.gz QFMQNNZDJVEXIN-QGZVFWFLSA-N 2 1 346.523 2.541 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001340881809 1332216960 /nfs/dbraw/zinc/21/69/60/1332216960.db2.gz TXSIRNWGPMBVGJ-HLLBOEOZSA-N 2 1 335.517 2.931 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001343560730 1332357897 /nfs/dbraw/zinc/35/78/97/1332357897.db2.gz OWNOTBZQKXKUMJ-IEBWSBKVSA-N 2 1 329.488 2.793 20 30 EFEDMP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001343664876 1332367761 /nfs/dbraw/zinc/36/77/61/1332367761.db2.gz GACHCGATPYWJFW-MSOLQXFVSA-N 2 1 332.492 2.632 20 30 EFEDMP C=C(Cl)CN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911427 1333717567 /nfs/dbraw/zinc/71/75/67/1333717567.db2.gz OGWLVGIDGZFATP-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911427 1333717573 /nfs/dbraw/zinc/71/75/73/1333717573.db2.gz OGWLVGIDGZFATP-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001926091 1333752327 /nfs/dbraw/zinc/75/23/27/1333752327.db2.gz UGJFTLAUWJFHSD-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848532803 1334779768 /nfs/dbraw/zinc/77/97/68/1334779768.db2.gz BAIUXLDWSDTTTO-MOPGFXCFSA-N 2 1 343.471 2.710 20 30 EFEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[N@@H+]1CCc2ccccc2C1 ZINC000849061299 1335064830 /nfs/dbraw/zinc/06/48/30/1335064830.db2.gz IWBQQJIDNVQRDZ-UHFFFAOYSA-N 2 1 336.483 2.752 20 30 EFEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+]1CCc2ccccc2C1 ZINC000849061299 1335064831 /nfs/dbraw/zinc/06/48/31/1335064831.db2.gz IWBQQJIDNVQRDZ-UHFFFAOYSA-N 2 1 336.483 2.752 20 30 EFEDMP c1ccc(NC(=[NH+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)N2CCCCC2)cc1 ZINC000849073968 1335069686 /nfs/dbraw/zinc/06/96/86/1335069686.db2.gz SHJFOXQNDKZQCE-RTBURBONSA-N 2 1 342.487 2.804 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366065949 1337359257 /nfs/dbraw/zinc/35/92/57/1337359257.db2.gz DFBIVGPJEGIEKW-QGZVFWFLSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366850600 1338116338 /nfs/dbraw/zinc/11/63/38/1338116338.db2.gz RWNZWOYHNZMLGF-QGZVFWFLSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001368517197 1339452287 /nfs/dbraw/zinc/45/22/87/1339452287.db2.gz DDULLULVEXGXMH-MRXNPFEDSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375174556 1342490341 /nfs/dbraw/zinc/49/03/41/1342490341.db2.gz FVFTYYPHCMTLML-JKSUJKDBSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001375292900 1342600324 /nfs/dbraw/zinc/60/03/24/1342600324.db2.gz YWADZBRALDQTGO-JKSUJKDBSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001375941694 1343191786 /nfs/dbraw/zinc/19/17/86/1343191786.db2.gz AHEFMULAUCZZHH-KRWDZBQOSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001375941694 1343191788 /nfs/dbraw/zinc/19/17/88/1343191788.db2.gz AHEFMULAUCZZHH-KRWDZBQOSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001377671108 1344298498 /nfs/dbraw/zinc/29/84/98/1344298498.db2.gz BSTAAIJOLGQCGS-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671108 1344298503 /nfs/dbraw/zinc/29/85/03/1344298503.db2.gz BSTAAIJOLGQCGS-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671108 1344298506 /nfs/dbraw/zinc/29/85/06/1344298506.db2.gz BSTAAIJOLGQCGS-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001377671117 1344299183 /nfs/dbraw/zinc/29/91/83/1344299183.db2.gz BSTAAIJOLGQCGS-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671117 1344299185 /nfs/dbraw/zinc/29/91/85/1344299185.db2.gz BSTAAIJOLGQCGS-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671117 1344299186 /nfs/dbraw/zinc/29/91/86/1344299186.db2.gz BSTAAIJOLGQCGS-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001380084582 1347508218 /nfs/dbraw/zinc/50/82/18/1347508218.db2.gz DHRJCFTXUMMMLQ-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001380967402 1347990589 /nfs/dbraw/zinc/99/05/89/1347990589.db2.gz CHOROVLUWSPAHN-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001380967402 1347990592 /nfs/dbraw/zinc/99/05/92/1347990592.db2.gz CHOROVLUWSPAHN-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001380967402 1347990597 /nfs/dbraw/zinc/99/05/97/1347990597.db2.gz CHOROVLUWSPAHN-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001380967402 1347990602 /nfs/dbraw/zinc/99/06/02/1347990602.db2.gz CHOROVLUWSPAHN-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171973 /nfs/dbraw/zinc/17/19/73/1348171973.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171975 /nfs/dbraw/zinc/17/19/75/1348171975.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171979 /nfs/dbraw/zinc/17/19/79/1348171979.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001390616229 1354211956 /nfs/dbraw/zinc/21/19/56/1354211956.db2.gz QAKNJFAFYRCXSX-LSDHHAIUSA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001391136806 1354851184 /nfs/dbraw/zinc/85/11/84/1354851184.db2.gz SLDATQRIWNEHSR-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001391136806 1354851189 /nfs/dbraw/zinc/85/11/89/1354851189.db2.gz SLDATQRIWNEHSR-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001391366534 1355134888 /nfs/dbraw/zinc/13/48/88/1355134888.db2.gz VWTAVBLRAFBHKE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001391366534 1355134890 /nfs/dbraw/zinc/13/48/90/1355134890.db2.gz VWTAVBLRAFBHKE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001391366534 1355134893 /nfs/dbraw/zinc/13/48/93/1355134893.db2.gz VWTAVBLRAFBHKE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197656 1355853824 /nfs/dbraw/zinc/85/38/24/1355853824.db2.gz RDRJTBUEJNQYHF-HOCLYGCPSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060708 1387391108 /nfs/dbraw/zinc/39/11/08/1387391108.db2.gz SOMDBXJINRVAGX-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001398727253 1360744807 /nfs/dbraw/zinc/74/48/07/1360744807.db2.gz KMHKPSFCWIKVEH-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001398727253 1360744809 /nfs/dbraw/zinc/74/48/09/1360744809.db2.gz KMHKPSFCWIKVEH-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001400099091 1361735697 /nfs/dbraw/zinc/73/56/97/1361735697.db2.gz GUTNLBMLBJPTGO-GOSISDBHSA-N 2 1 349.906 2.918 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001402031704 1363343474 /nfs/dbraw/zinc/34/34/74/1363343474.db2.gz MEJVSPGOOISTQK-GOEBONIOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402680028 1363929285 /nfs/dbraw/zinc/92/92/85/1363929285.db2.gz JVZWBXJCFGFALP-KRWDZBQOSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402680028 1363929287 /nfs/dbraw/zinc/92/92/87/1363929287.db2.gz JVZWBXJCFGFALP-KRWDZBQOSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001402762671 1364010527 /nfs/dbraw/zinc/01/05/27/1364010527.db2.gz BWNTVASHRQAPNY-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762671 1364010532 /nfs/dbraw/zinc/01/05/32/1364010532.db2.gz BWNTVASHRQAPNY-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762671 1364010536 /nfs/dbraw/zinc/01/05/36/1364010536.db2.gz BWNTVASHRQAPNY-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001407526629 1368940334 /nfs/dbraw/zinc/94/03/34/1368940334.db2.gz BJCMQKKTKVLKOB-BRWVUGGUSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001408335896 1369839927 /nfs/dbraw/zinc/83/99/27/1369839927.db2.gz KJFDXQJQXMVAIK-KRWDZBQOSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001408335896 1369839930 /nfs/dbraw/zinc/83/99/30/1369839930.db2.gz KJFDXQJQXMVAIK-KRWDZBQOSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001437987710 1388298897 /nfs/dbraw/zinc/29/88/97/1388298897.db2.gz PBXLUGIOCLZUSO-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001437990701 1388302354 /nfs/dbraw/zinc/30/23/54/1388302354.db2.gz XVTCMEBLHYEYKY-MRXNPFEDSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001437990701 1388302360 /nfs/dbraw/zinc/30/23/60/1388302360.db2.gz XVTCMEBLHYEYKY-MRXNPFEDSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437993680 1388306495 /nfs/dbraw/zinc/30/64/95/1388306495.db2.gz OOCABQCIXAHKCE-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001420017801 1376289380 /nfs/dbraw/zinc/28/93/80/1376289380.db2.gz KTGJNSRKCCOMIC-CVEARBPZSA-N 2 1 338.883 2.741 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001421109318 1378138341 /nfs/dbraw/zinc/13/83/41/1378138341.db2.gz SGXJWVGQMNHMFX-GOEBONIOSA-N 2 1 338.883 2.693 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001422941570 1381098372 /nfs/dbraw/zinc/09/83/72/1381098372.db2.gz GEAXUKXWKWPTCB-UHFFFAOYSA-N 2 1 338.883 2.647 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001422941570 1381098379 /nfs/dbraw/zinc/09/83/79/1381098379.db2.gz GEAXUKXWKWPTCB-UHFFFAOYSA-N 2 1 338.883 2.647 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001423702565 1382319810 /nfs/dbraw/zinc/31/98/10/1382319810.db2.gz IJAIFYSLBMQQQO-GOSISDBHSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001423702565 1382319817 /nfs/dbraw/zinc/31/98/17/1382319817.db2.gz IJAIFYSLBMQQQO-GOSISDBHSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001438763896 1388794212 /nfs/dbraw/zinc/79/42/12/1388794212.db2.gz JZESQWKQIBMGEY-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001425963301 1383902585 /nfs/dbraw/zinc/90/25/85/1383902585.db2.gz VGJRCWVUHLPEKJ-GJZGRUSLSA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001447769187 1391754366 /nfs/dbraw/zinc/75/43/66/1391754366.db2.gz DJHIIDGBTUXAJR-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769187 1391754370 /nfs/dbraw/zinc/75/43/70/1391754370.db2.gz DJHIIDGBTUXAJR-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769187 1391754375 /nfs/dbraw/zinc/75/43/75/1391754375.db2.gz DJHIIDGBTUXAJR-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984744 1398069533 /nfs/dbraw/zinc/06/95/33/1398069533.db2.gz HKHMXONTWARKRX-OAHLLOKOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001493896901 1398962183 /nfs/dbraw/zinc/96/21/83/1398962183.db2.gz NNDXWPABXSWBBD-INIZCTEOSA-N 2 1 335.879 2.528 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001494211459 1399216608 /nfs/dbraw/zinc/21/66/08/1399216608.db2.gz TXPVSFSWNSRQAE-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001494211459 1399216611 /nfs/dbraw/zinc/21/66/11/1399216611.db2.gz TXPVSFSWNSRQAE-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001494211459 1399216614 /nfs/dbraw/zinc/21/66/14/1399216614.db2.gz TXPVSFSWNSRQAE-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496912280 1401098361 /nfs/dbraw/zinc/09/83/61/1401098361.db2.gz NLMJZYPYHQUYBD-CVEARBPZSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001501092419 1403437204 /nfs/dbraw/zinc/43/72/04/1403437204.db2.gz UAMRZGFYZDBSPZ-AEFFLSMTSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001501092419 1403437206 /nfs/dbraw/zinc/43/72/06/1403437206.db2.gz UAMRZGFYZDBSPZ-AEFFLSMTSA-N 2 1 349.906 2.698 20 30 EFEDMP C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567744151 1416268812 /nfs/dbraw/zinc/26/88/12/1416268812.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001567744151 1416268813 /nfs/dbraw/zinc/26/88/13/1416268813.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001567744151 1416268814 /nfs/dbraw/zinc/26/88/14/1416268814.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717358407 1419352705 /nfs/dbraw/zinc/35/27/05/1419352705.db2.gz XQKJDZWJOJGCPQ-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001724923493 1425136338 /nfs/dbraw/zinc/13/63/38/1425136338.db2.gz MLAUZSZFWBDMRV-IBGZPJMESA-N 2 1 329.488 2.781 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153826 712940564 /nfs/dbraw/zinc/94/05/64/712940564.db2.gz PZPGNVVFMYAGOC-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)C)CC1 ZINC000969155979 712942335 /nfs/dbraw/zinc/94/23/35/712942335.db2.gz GKSQZWNRIBHDBL-HXUWFJFHSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980211766 717910624 /nfs/dbraw/zinc/91/06/24/717910624.db2.gz HORHQWBWOXCSQR-ULQDDVLXSA-N 2 1 342.487 2.554 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723517 717923181 /nfs/dbraw/zinc/92/31/81/717923181.db2.gz WGQZWVGEHGQBJD-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980214284 717926957 /nfs/dbraw/zinc/92/69/57/717926957.db2.gz FASOLDHIAIBBDT-OTWHNJEPSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621960 714191537 /nfs/dbraw/zinc/19/15/37/714191537.db2.gz GAPMGAYPXPIVLG-MJGOQNOKSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634997 714213030 /nfs/dbraw/zinc/21/30/30/714213030.db2.gz GZJSMLGRXQCNHT-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669951 714271486 /nfs/dbraw/zinc/27/14/86/714271486.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669951 714271490 /nfs/dbraw/zinc/27/14/90/714271490.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669951 714271492 /nfs/dbraw/zinc/27/14/92/714271492.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669941 714271608 /nfs/dbraw/zinc/27/16/08/714271608.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669941 714271611 /nfs/dbraw/zinc/27/16/11/714271611.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669941 714271613 /nfs/dbraw/zinc/27/16/13/714271613.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681630 714294472 /nfs/dbraw/zinc/29/44/72/714294472.db2.gz HYRPGEUGFUNXIQ-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681630 714294475 /nfs/dbraw/zinc/29/44/75/714294475.db2.gz HYRPGEUGFUNXIQ-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701464 714335769 /nfs/dbraw/zinc/33/57/69/714335769.db2.gz ZBKXAQVZFJUZJK-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705936 714344584 /nfs/dbraw/zinc/34/45/84/714344584.db2.gz HJOKLIZWHRXZGG-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705937 714344655 /nfs/dbraw/zinc/34/46/55/714344655.db2.gz HJOKLIZWHRXZGG-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705939 714344699 /nfs/dbraw/zinc/34/46/99/714344699.db2.gz HJOKLIZWHRXZGG-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707652 714345118 /nfs/dbraw/zinc/34/51/18/714345118.db2.gz WRYLEQREZXYURC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723996 714371729 /nfs/dbraw/zinc/37/17/29/714371729.db2.gz HRNZEEAKHUOJDX-PKOBYXMFSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738502 714399260 /nfs/dbraw/zinc/39/92/60/714399260.db2.gz BQRMJCCWJMCWPZ-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845642 714479560 /nfs/dbraw/zinc/47/95/60/714479560.db2.gz LILIURFMFSXCEB-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845642 714479562 /nfs/dbraw/zinc/47/95/62/714479562.db2.gz LILIURFMFSXCEB-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845642 714479565 /nfs/dbraw/zinc/47/95/65/714479565.db2.gz LILIURFMFSXCEB-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845642 714479567 /nfs/dbraw/zinc/47/95/67/714479567.db2.gz LILIURFMFSXCEB-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022081788 714734894 /nfs/dbraw/zinc/73/48/94/714734894.db2.gz NKIAWNMOFNLLHD-HRCADAONSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681598 714879327 /nfs/dbraw/zinc/87/93/27/714879327.db2.gz FOEKCCXIIAVUFK-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681598 714879328 /nfs/dbraw/zinc/87/93/28/714879328.db2.gz FOEKCCXIIAVUFK-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681598 714879329 /nfs/dbraw/zinc/87/93/29/714879329.db2.gz FOEKCCXIIAVUFK-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681598 714879331 /nfs/dbraw/zinc/87/93/31/714879331.db2.gz FOEKCCXIIAVUFK-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681721 714882368 /nfs/dbraw/zinc/88/23/68/714882368.db2.gz GBVJCOCIUOKCFI-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971681721 714882371 /nfs/dbraw/zinc/88/23/71/714882371.db2.gz GBVJCOCIUOKCFI-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971681721 714882372 /nfs/dbraw/zinc/88/23/72/714882372.db2.gz GBVJCOCIUOKCFI-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971681721 714882375 /nfs/dbraw/zinc/88/23/75/714882375.db2.gz GBVJCOCIUOKCFI-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000971704791 714895594 /nfs/dbraw/zinc/89/55/94/714895594.db2.gz XNYMWJPVRGRKOZ-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000971704791 714895596 /nfs/dbraw/zinc/89/55/96/714895596.db2.gz XNYMWJPVRGRKOZ-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC000971704791 714895599 /nfs/dbraw/zinc/89/55/99/714895599.db2.gz XNYMWJPVRGRKOZ-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC000971704791 714895602 /nfs/dbraw/zinc/89/56/02/714895602.db2.gz XNYMWJPVRGRKOZ-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971827139 715044821 /nfs/dbraw/zinc/04/48/21/715044821.db2.gz CJXASHOMLCNFBF-INIZCTEOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971827139 715044824 /nfs/dbraw/zinc/04/48/24/715044824.db2.gz CJXASHOMLCNFBF-INIZCTEOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971827139 715044828 /nfs/dbraw/zinc/04/48/28/715044828.db2.gz CJXASHOMLCNFBF-INIZCTEOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971827139 715044832 /nfs/dbraw/zinc/04/48/32/715044832.db2.gz CJXASHOMLCNFBF-INIZCTEOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947472150 715066869 /nfs/dbraw/zinc/06/68/69/715066869.db2.gz GAEQXCKKWPOEDO-ZFWWWQNUSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947472150 715066873 /nfs/dbraw/zinc/06/68/73/715066873.db2.gz GAEQXCKKWPOEDO-ZFWWWQNUSA-N 2 1 346.862 2.978 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618112 718031096 /nfs/dbraw/zinc/03/10/96/718031096.db2.gz QGTOWGOABFZZJS-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618112 718031099 /nfs/dbraw/zinc/03/10/99/718031099.db2.gz QGTOWGOABFZZJS-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618112 718031103 /nfs/dbraw/zinc/03/11/03/718031103.db2.gz QGTOWGOABFZZJS-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974947243 715369873 /nfs/dbraw/zinc/36/98/73/715369873.db2.gz NXWUDZYNEBJIQT-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947243 715369878 /nfs/dbraw/zinc/36/98/78/715369878.db2.gz NXWUDZYNEBJIQT-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947243 715369883 /nfs/dbraw/zinc/36/98/83/715369883.db2.gz NXWUDZYNEBJIQT-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029466 715453800 /nfs/dbraw/zinc/45/38/00/715453800.db2.gz BIPPUMBLSMGKGX-HNAYVOBHSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029466 715453803 /nfs/dbraw/zinc/45/38/03/715453803.db2.gz BIPPUMBLSMGKGX-HNAYVOBHSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029466 715453807 /nfs/dbraw/zinc/45/38/07/715453807.db2.gz BIPPUMBLSMGKGX-HNAYVOBHSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409025 715699652 /nfs/dbraw/zinc/69/96/52/715699652.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409025 715699653 /nfs/dbraw/zinc/69/96/53/715699653.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409025 715699654 /nfs/dbraw/zinc/69/96/54/715699654.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027409025 715699655 /nfs/dbraw/zinc/69/96/55/715699655.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027409025 715699656 /nfs/dbraw/zinc/69/96/56/715699656.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411170 715705102 /nfs/dbraw/zinc/70/51/02/715705102.db2.gz NQVUVCXZNBHWAW-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411170 715705104 /nfs/dbraw/zinc/70/51/04/715705104.db2.gz NQVUVCXZNBHWAW-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411170 715705110 /nfs/dbraw/zinc/70/51/10/715705110.db2.gz NQVUVCXZNBHWAW-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027439611 715805201 /nfs/dbraw/zinc/80/52/01/715805201.db2.gz NHWSALXNPYRUQW-IAGOWNOFSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439611 715805207 /nfs/dbraw/zinc/80/52/07/715805207.db2.gz NHWSALXNPYRUQW-IAGOWNOFSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439611 715805214 /nfs/dbraw/zinc/80/52/14/715805214.db2.gz NHWSALXNPYRUQW-IAGOWNOFSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439611 715805219 /nfs/dbraw/zinc/80/52/19/715805219.db2.gz NHWSALXNPYRUQW-IAGOWNOFSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461449 715891608 /nfs/dbraw/zinc/89/16/08/715891608.db2.gz ZEWBLOYIJFNTEF-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461449 715891611 /nfs/dbraw/zinc/89/16/11/715891611.db2.gz ZEWBLOYIJFNTEF-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009141565 715978720 /nfs/dbraw/zinc/97/87/20/715978720.db2.gz BBVUKHMTJGMKMI-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485980 716028823 /nfs/dbraw/zinc/02/88/23/716028823.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625374 716314579 /nfs/dbraw/zinc/31/45/79/716314579.db2.gz BKOUZSYOSUWNAG-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625374 716314585 /nfs/dbraw/zinc/31/45/85/716314585.db2.gz BKOUZSYOSUWNAG-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625374 716314591 /nfs/dbraw/zinc/31/45/91/716314591.db2.gz BKOUZSYOSUWNAG-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410881 716430715 /nfs/dbraw/zinc/43/07/15/716430715.db2.gz XAHJNXCEPRHXGF-DLBZAZTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410881 716430718 /nfs/dbraw/zinc/43/07/18/716430718.db2.gz XAHJNXCEPRHXGF-DLBZAZTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410881 716430720 /nfs/dbraw/zinc/43/07/20/716430720.db2.gz XAHJNXCEPRHXGF-DLBZAZTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410881 716430722 /nfs/dbraw/zinc/43/07/22/716430722.db2.gz XAHJNXCEPRHXGF-DLBZAZTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410881 716430725 /nfs/dbraw/zinc/43/07/25/716430725.db2.gz XAHJNXCEPRHXGF-DLBZAZTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413362 716437304 /nfs/dbraw/zinc/43/73/04/716437304.db2.gz DBJKFIGMXWXWDU-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413362 716437308 /nfs/dbraw/zinc/43/73/08/716437308.db2.gz DBJKFIGMXWXWDU-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413362 716437313 /nfs/dbraw/zinc/43/73/13/716437313.db2.gz DBJKFIGMXWXWDU-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694077 716547807 /nfs/dbraw/zinc/54/78/07/716547807.db2.gz QUZDKNLWZSKTTQ-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027694077 716547810 /nfs/dbraw/zinc/54/78/10/716547810.db2.gz QUZDKNLWZSKTTQ-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694077 716547817 /nfs/dbraw/zinc/54/78/17/716547817.db2.gz QUZDKNLWZSKTTQ-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027694077 716547820 /nfs/dbraw/zinc/54/78/20/716547820.db2.gz QUZDKNLWZSKTTQ-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694075 716547908 /nfs/dbraw/zinc/54/79/08/716547908.db2.gz QUZDKNLWZSKTTQ-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694075 716547913 /nfs/dbraw/zinc/54/79/13/716547913.db2.gz QUZDKNLWZSKTTQ-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694075 716547917 /nfs/dbraw/zinc/54/79/17/716547917.db2.gz QUZDKNLWZSKTTQ-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027694075 716547922 /nfs/dbraw/zinc/54/79/22/716547922.db2.gz QUZDKNLWZSKTTQ-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694494 716548987 /nfs/dbraw/zinc/54/89/87/716548987.db2.gz AHSNATFUJLIUMC-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694494 716548992 /nfs/dbraw/zinc/54/89/92/716548992.db2.gz AHSNATFUJLIUMC-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978955550 716601397 /nfs/dbraw/zinc/60/13/97/716601397.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978955550 716601398 /nfs/dbraw/zinc/60/13/98/716601398.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978955550 716601399 /nfs/dbraw/zinc/60/13/99/716601399.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553257 716616972 /nfs/dbraw/zinc/61/69/72/716616972.db2.gz YKRYGWCDRFQAGX-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553257 716616977 /nfs/dbraw/zinc/61/69/77/716616977.db2.gz YKRYGWCDRFQAGX-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647032 716766006 /nfs/dbraw/zinc/76/60/06/716766006.db2.gz SXXPIXHCGUDYJN-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978225832 716914579 /nfs/dbraw/zinc/91/45/79/716914579.db2.gz RAGIVQPKNCQUIG-OSYLJGHBSA-N 2 1 347.528 2.684 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602412 716917855 /nfs/dbraw/zinc/91/78/55/716917855.db2.gz SXZXGCAHFKVASS-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602412 716917860 /nfs/dbraw/zinc/91/78/60/716917860.db2.gz SXZXGCAHFKVASS-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761704 716974185 /nfs/dbraw/zinc/97/41/85/716974185.db2.gz HAYNVQAIAUTAID-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763547 716976287 /nfs/dbraw/zinc/97/62/87/716976287.db2.gz RWEXPHNGFUMXIZ-QGZVFWFLSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978408197 717050717 /nfs/dbraw/zinc/05/07/17/717050717.db2.gz IBQNBBHSACSCSO-LDLYASANSA-N 2 1 338.455 2.517 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484863 717326582 /nfs/dbraw/zinc/32/65/82/717326582.db2.gz CPMFBERISZXATL-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484863 717326587 /nfs/dbraw/zinc/32/65/87/717326587.db2.gz CPMFBERISZXATL-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC000979781293 717426699 /nfs/dbraw/zinc/42/66/99/717426699.db2.gz YMCAJWYNQVJZDW-XIRDDKMYSA-N 2 1 347.528 2.826 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985472805 724445966 /nfs/dbraw/zinc/44/59/66/724445966.db2.gz JHKIZBTVMAIKCN-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985472805 724445967 /nfs/dbraw/zinc/44/59/67/724445967.db2.gz JHKIZBTVMAIKCN-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985472805 724445968 /nfs/dbraw/zinc/44/59/68/724445968.db2.gz JHKIZBTVMAIKCN-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982118 717766440 /nfs/dbraw/zinc/76/64/40/717766440.db2.gz NSKMHVZUBNHELC-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462991 717768488 /nfs/dbraw/zinc/76/84/88/717768488.db2.gz XEKCJZSGUCTLEA-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462991 717768490 /nfs/dbraw/zinc/76/84/90/717768490.db2.gz XEKCJZSGUCTLEA-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001024469109 717775395 /nfs/dbraw/zinc/77/53/95/717775395.db2.gz UXIAUSBGHOGLSV-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024469109 717775398 /nfs/dbraw/zinc/77/53/98/717775398.db2.gz UXIAUSBGHOGLSV-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980143880 717791100 /nfs/dbraw/zinc/79/11/00/717791100.db2.gz OBXNIPMBEVKFMM-JQHSSLGASA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980143886 717791206 /nfs/dbraw/zinc/79/12/06/717791206.db2.gz OBXNIPMBEVKFMM-RYQLBKOJSA-N 2 1 338.455 2.741 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024486698 717810877 /nfs/dbraw/zinc/81/08/77/717810877.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520354 717855344 /nfs/dbraw/zinc/85/53/44/717855344.db2.gz IWAXWUAUDDSRCR-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980183169 717867917 /nfs/dbraw/zinc/86/79/17/717867917.db2.gz GBNRXWOPRQMPJQ-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980183169 717867920 /nfs/dbraw/zinc/86/79/20/717867920.db2.gz GBNRXWOPRQMPJQ-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980188866 717877545 /nfs/dbraw/zinc/87/75/45/717877545.db2.gz UKTPPTDKRFAJAM-ZCNNSNEGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)CN1CCCC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001024535290 717891365 /nfs/dbraw/zinc/89/13/65/717891365.db2.gz PZGAQKCDLCQSMP-HNNXBMFYSA-N 2 1 332.835 2.671 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819275 718176568 /nfs/dbraw/zinc/17/65/68/718176568.db2.gz NMHBKJTVYIQYOJ-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241324 718461205 /nfs/dbraw/zinc/46/12/05/718461205.db2.gz WIVGWWJDJIRDHF-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241324 718461206 /nfs/dbraw/zinc/46/12/06/718461206.db2.gz WIVGWWJDJIRDHF-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241324 718461208 /nfs/dbraw/zinc/46/12/08/718461208.db2.gz WIVGWWJDJIRDHF-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244563 718463360 /nfs/dbraw/zinc/46/33/60/718463360.db2.gz WIVMYQMFJBECCL-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258820 718475139 /nfs/dbraw/zinc/47/51/39/718475139.db2.gz JIZLOWIBGGIYAO-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252165 718477447 /nfs/dbraw/zinc/47/74/47/718477447.db2.gz MQXGBJNYQIODIG-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252165 718477448 /nfs/dbraw/zinc/47/74/48/718477448.db2.gz MQXGBJNYQIODIG-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266084 718486788 /nfs/dbraw/zinc/48/67/88/718486788.db2.gz IYRWOIUDXIOLPK-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266084 718486791 /nfs/dbraw/zinc/48/67/91/718486791.db2.gz IYRWOIUDXIOLPK-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266084 718486793 /nfs/dbraw/zinc/48/67/93/718486793.db2.gz IYRWOIUDXIOLPK-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260581 718488205 /nfs/dbraw/zinc/48/82/05/718488205.db2.gz YNDCDUYOSJPVOX-OALUTQOASA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260711 718488637 /nfs/dbraw/zinc/48/86/37/718488637.db2.gz YWJBBGAZVWISGM-RTBURBONSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287317 718523528 /nfs/dbraw/zinc/52/35/28/718523528.db2.gz DHCLSKLTPMTCFE-OALUTQOASA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287317 718523529 /nfs/dbraw/zinc/52/35/29/718523529.db2.gz DHCLSKLTPMTCFE-OALUTQOASA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287319 718523742 /nfs/dbraw/zinc/52/37/42/718523742.db2.gz DHCLSKLTPMTCFE-RTBURBONSA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287319 718523744 /nfs/dbraw/zinc/52/37/44/718523744.db2.gz DHCLSKLTPMTCFE-RTBURBONSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287650 718524060 /nfs/dbraw/zinc/52/40/60/718524060.db2.gz FNVAWIIYBOPJIT-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287823 718524939 /nfs/dbraw/zinc/52/49/39/718524939.db2.gz GVEBFQFGSPSRMB-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289764 718530064 /nfs/dbraw/zinc/53/00/64/718530064.db2.gz SBUDQHXDJVBNFX-RTBURBONSA-N 2 1 344.503 2.774 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001025301865 718540606 /nfs/dbraw/zinc/54/06/06/718540606.db2.gz QHECIZMFLACXOX-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301853 718540801 /nfs/dbraw/zinc/54/08/01/718540801.db2.gz QGIUDYVGJCLVDE-UXHICEINSA-N 2 1 345.531 2.731 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025297182 718544093 /nfs/dbraw/zinc/54/40/93/718544093.db2.gz XTTDNOPUEKTSEZ-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300767 718546836 /nfs/dbraw/zinc/54/68/36/718546836.db2.gz FCYPRTKDOKOZGN-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330193 718631794 /nfs/dbraw/zinc/63/17/94/718631794.db2.gz ADBHDPIWSAAQIO-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330196 718632047 /nfs/dbraw/zinc/63/20/47/718632047.db2.gz ADBHDPIWSAAQIO-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420377 718799382 /nfs/dbraw/zinc/79/93/82/718799382.db2.gz AWHMVICDFJDRAN-WBVHZDCISA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450947 718881385 /nfs/dbraw/zinc/88/13/85/718881385.db2.gz OBTBYRKXKAYQEJ-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450948 718881440 /nfs/dbraw/zinc/88/14/40/718881440.db2.gz OBTBYRKXKAYQEJ-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985522018 724543175 /nfs/dbraw/zinc/54/31/75/724543175.db2.gz WRHLNRRLWZLFBS-UHFFFAOYSA-N 2 1 332.835 2.623 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460429 718913110 /nfs/dbraw/zinc/91/31/10/718913110.db2.gz IAISRANFXFQURG-GDBMZVCRSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469454 718952279 /nfs/dbraw/zinc/95/22/79/718952279.db2.gz PHIXOXIPONGTAM-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474011 718961123 /nfs/dbraw/zinc/96/11/23/718961123.db2.gz IDJHRGUWTZNLBN-DOTOQJQBSA-N 2 1 326.444 2.741 20 30 EFEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000170907986 718981886 /nfs/dbraw/zinc/98/18/86/718981886.db2.gz UVIPSZBJQYQFDT-GOSISDBHSA-N 2 1 332.492 2.893 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515709 719052156 /nfs/dbraw/zinc/05/21/56/719052156.db2.gz MNQXGPUFLIOSJQ-JKSUJKDBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813562 719062061 /nfs/dbraw/zinc/06/20/61/719062061.db2.gz MMLYBVNGMPIGQN-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813562 719062064 /nfs/dbraw/zinc/06/20/64/719062064.db2.gz MMLYBVNGMPIGQN-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813562 719062068 /nfs/dbraw/zinc/06/20/68/719062068.db2.gz MMLYBVNGMPIGQN-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981814616 719064038 /nfs/dbraw/zinc/06/40/38/719064038.db2.gz JXJMBWLUCKJRRL-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981814616 719064042 /nfs/dbraw/zinc/06/40/42/719064042.db2.gz JXJMBWLUCKJRRL-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981814616 719064045 /nfs/dbraw/zinc/06/40/45/719064045.db2.gz JXJMBWLUCKJRRL-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557353 719124143 /nfs/dbraw/zinc/12/41/43/719124143.db2.gz GUCYBZOZDFNFNC-FXAWDEMLSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861405 719139979 /nfs/dbraw/zinc/13/99/79/719139979.db2.gz OZZPUURRKGFVON-UHFFFAOYSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590770 719176391 /nfs/dbraw/zinc/17/63/91/719176391.db2.gz RJIZKPOQINORRR-YLJYHZDGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472442 719178149 /nfs/dbraw/zinc/17/81/49/719178149.db2.gz HFIDTSHXTDJWBO-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472442 719178151 /nfs/dbraw/zinc/17/81/51/719178151.db2.gz HFIDTSHXTDJWBO-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472442 719178152 /nfs/dbraw/zinc/17/81/52/719178152.db2.gz HFIDTSHXTDJWBO-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596408 719194812 /nfs/dbraw/zinc/19/48/12/719194812.db2.gz BWIQBOIIBDCEDX-HZPDHXFCSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596408 719194814 /nfs/dbraw/zinc/19/48/14/719194814.db2.gz BWIQBOIIBDCEDX-HZPDHXFCSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596406 719194852 /nfs/dbraw/zinc/19/48/52/719194852.db2.gz BWIQBOIIBDCEDX-CVEARBPZSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596406 719194854 /nfs/dbraw/zinc/19/48/54/719194854.db2.gz BWIQBOIIBDCEDX-CVEARBPZSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062670 719516548 /nfs/dbraw/zinc/51/65/48/719516548.db2.gz BIFLOLUXVCPJHZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062670 719516554 /nfs/dbraw/zinc/51/65/54/719516554.db2.gz BIFLOLUXVCPJHZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062670 719516559 /nfs/dbraw/zinc/51/65/59/719516559.db2.gz BIFLOLUXVCPJHZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062640 719517093 /nfs/dbraw/zinc/51/70/93/719517093.db2.gz APEHLYYSBUZCSE-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062640 719517095 /nfs/dbraw/zinc/51/70/95/719517095.db2.gz APEHLYYSBUZCSE-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062640 719517098 /nfs/dbraw/zinc/51/70/98/719517098.db2.gz APEHLYYSBUZCSE-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110622 719569090 /nfs/dbraw/zinc/56/90/90/719569090.db2.gz VWGUQMBURIEEMM-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110622 719569092 /nfs/dbraw/zinc/56/90/92/719569092.db2.gz VWGUQMBURIEEMM-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110622 719569094 /nfs/dbraw/zinc/56/90/94/719569094.db2.gz VWGUQMBURIEEMM-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115793 719572893 /nfs/dbraw/zinc/57/28/93/719572893.db2.gz BMFRWFROVBQINI-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162631 719606683 /nfs/dbraw/zinc/60/66/83/719606683.db2.gz XBQJVBHNJWQVFJ-HOTGVXAUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162631 719606685 /nfs/dbraw/zinc/60/66/85/719606685.db2.gz XBQJVBHNJWQVFJ-HOTGVXAUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163458 719607724 /nfs/dbraw/zinc/60/77/24/719607724.db2.gz BRALUZVWKGMKJQ-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163848 719608904 /nfs/dbraw/zinc/60/89/04/719608904.db2.gz ZBOKWUGXNCQAKC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164536 719609631 /nfs/dbraw/zinc/60/96/31/719609631.db2.gz QIKFFDCOUZSWBX-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164536 719609634 /nfs/dbraw/zinc/60/96/34/719609634.db2.gz QIKFFDCOUZSWBX-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164536 719609636 /nfs/dbraw/zinc/60/96/36/719609636.db2.gz QIKFFDCOUZSWBX-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300337 719855013 /nfs/dbraw/zinc/85/50/13/719855013.db2.gz WDZTZXMDWSUMDH-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300337 719855018 /nfs/dbraw/zinc/85/50/18/719855018.db2.gz WDZTZXMDWSUMDH-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300337 719855028 /nfs/dbraw/zinc/85/50/28/719855028.db2.gz WDZTZXMDWSUMDH-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301533 719856745 /nfs/dbraw/zinc/85/67/45/719856745.db2.gz REMFFKBTEYCQEM-YSIASYRMSA-N 2 1 335.536 2.709 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306342 719874477 /nfs/dbraw/zinc/87/44/77/719874477.db2.gz PQRFDRYTEPXNLM-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306342 719874482 /nfs/dbraw/zinc/87/44/82/719874482.db2.gz PQRFDRYTEPXNLM-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306342 719874489 /nfs/dbraw/zinc/87/44/89/719874489.db2.gz PQRFDRYTEPXNLM-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306336 719875422 /nfs/dbraw/zinc/87/54/22/719875422.db2.gz PQRFDRYTEPXNLM-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@@]2(C)C1 ZINC000982306336 719875428 /nfs/dbraw/zinc/87/54/28/719875428.db2.gz PQRFDRYTEPXNLM-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@]2(C)C1 ZINC000982306336 719875434 /nfs/dbraw/zinc/87/54/34/719875434.db2.gz PQRFDRYTEPXNLM-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982491854 720566143 /nfs/dbraw/zinc/56/61/43/720566143.db2.gz MPTHOPVCIQFLOF-BGYRXZFFSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026506845 720684117 /nfs/dbraw/zinc/68/41/17/720684117.db2.gz GYLIWGVSUXWPCZ-FAFZWHIHSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982597831 720931137 /nfs/dbraw/zinc/93/11/37/720931137.db2.gz CYNRIWPKFOSINJ-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982597831 720931138 /nfs/dbraw/zinc/93/11/38/720931138.db2.gz CYNRIWPKFOSINJ-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618301 720953482 /nfs/dbraw/zinc/95/34/82/720953482.db2.gz UPBPPOVFDDBZMM-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959812 /nfs/dbraw/zinc/95/98/12/720959812.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959814 /nfs/dbraw/zinc/95/98/14/720959814.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959817 /nfs/dbraw/zinc/95/98/17/720959817.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195290688 721117332 /nfs/dbraw/zinc/11/73/32/721117332.db2.gz OGQRPLANGVHXFV-FQEVSTJZSA-N 2 1 336.483 2.656 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725914 721131858 /nfs/dbraw/zinc/13/18/58/721131858.db2.gz QNWBRUDOOHOOTN-JYRKZWEQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650317 721239805 /nfs/dbraw/zinc/23/98/05/721239805.db2.gz IPXOMKIQRZMMIR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650317 721239811 /nfs/dbraw/zinc/23/98/11/721239811.db2.gz IPXOMKIQRZMMIR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650317 721239814 /nfs/dbraw/zinc/23/98/14/721239814.db2.gz IPXOMKIQRZMMIR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675316 721266041 /nfs/dbraw/zinc/26/60/41/721266041.db2.gz CGLPSHMOQHYVSC-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675316 721266045 /nfs/dbraw/zinc/26/60/45/721266045.db2.gz CGLPSHMOQHYVSC-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675316 721266049 /nfs/dbraw/zinc/26/60/49/721266049.db2.gz CGLPSHMOQHYVSC-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000985643339 724746417 /nfs/dbraw/zinc/74/64/17/724746417.db2.gz QFBJVVZILNXUFW-AWEZNQCLSA-N 2 1 336.867 2.505 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677645 721270813 /nfs/dbraw/zinc/27/08/13/721270813.db2.gz FTWUFXFRTGOPQD-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677645 721270817 /nfs/dbraw/zinc/27/08/17/721270817.db2.gz FTWUFXFRTGOPQD-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301520 /nfs/dbraw/zinc/30/15/20/721301520.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301522 /nfs/dbraw/zinc/30/15/22/721301522.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301526 /nfs/dbraw/zinc/30/15/26/721301526.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000985683933 724795048 /nfs/dbraw/zinc/79/50/48/724795048.db2.gz YQGKGHCWUVUOJR-UHFFFAOYSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000985683933 724795051 /nfs/dbraw/zinc/79/50/51/724795051.db2.gz YQGKGHCWUVUOJR-UHFFFAOYSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709793 721876367 /nfs/dbraw/zinc/87/63/67/721876367.db2.gz DPGVTYXHYGHMKZ-SFHVURJKSA-N 2 1 343.515 2.809 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755189 721936205 /nfs/dbraw/zinc/93/62/05/721936205.db2.gz IJVPVEJHFQCEST-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755189 721936206 /nfs/dbraw/zinc/93/62/06/721936206.db2.gz IJVPVEJHFQCEST-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755189 721936209 /nfs/dbraw/zinc/93/62/09/721936209.db2.gz IJVPVEJHFQCEST-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756015 721937829 /nfs/dbraw/zinc/93/78/29/721937829.db2.gz ZFBSIRYPTVJJIT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028756015 721937831 /nfs/dbraw/zinc/93/78/31/721937831.db2.gz ZFBSIRYPTVJJIT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028756015 721937833 /nfs/dbraw/zinc/93/78/33/721937833.db2.gz ZFBSIRYPTVJJIT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919448 722096893 /nfs/dbraw/zinc/09/68/93/722096893.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919448 722096896 /nfs/dbraw/zinc/09/68/96/722096896.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919448 722096898 /nfs/dbraw/zinc/09/68/98/722096898.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919448 722096900 /nfs/dbraw/zinc/09/69/00/722096900.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919448 722096902 /nfs/dbraw/zinc/09/69/02/722096902.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@H]1C ZINC000262025043 722728743 /nfs/dbraw/zinc/72/87/43/722728743.db2.gz ZFJXPDUCUXVMIJ-HUUCEWRRSA-N 2 1 346.475 2.837 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863557 722913167 /nfs/dbraw/zinc/91/31/67/722913167.db2.gz IEXMHQPISIHYBW-TZIWHRDSSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863557 722913169 /nfs/dbraw/zinc/91/31/69/722913169.db2.gz IEXMHQPISIHYBW-TZIWHRDSSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863557 722913171 /nfs/dbraw/zinc/91/31/71/722913171.db2.gz IEXMHQPISIHYBW-TZIWHRDSSA-N 2 1 325.500 2.899 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985432560 724342568 /nfs/dbraw/zinc/34/25/68/724342568.db2.gz GPVDOBVRLZZCDN-MRXNPFEDSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985432560 724342574 /nfs/dbraw/zinc/34/25/74/724342574.db2.gz GPVDOBVRLZZCDN-MRXNPFEDSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985432560 724342576 /nfs/dbraw/zinc/34/25/76/724342576.db2.gz GPVDOBVRLZZCDN-MRXNPFEDSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985745825 724850758 /nfs/dbraw/zinc/85/07/58/724850758.db2.gz IHMZKLAEIPBJFH-FQEVSTJZSA-N 2 1 329.488 2.572 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985752041 724857293 /nfs/dbraw/zinc/85/72/93/724857293.db2.gz QUSYAJRYWDCTNQ-NVXWUHKLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009007 725459870 /nfs/dbraw/zinc/45/98/70/725459870.db2.gz FIOLDUJAUATEAY-CMKODMSKSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169972 725585054 /nfs/dbraw/zinc/58/50/54/725585054.db2.gz HJKBYHCFPLFINA-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169972 725585056 /nfs/dbraw/zinc/58/50/56/725585056.db2.gz HJKBYHCFPLFINA-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169972 725585059 /nfs/dbraw/zinc/58/50/59/725585059.db2.gz HJKBYHCFPLFINA-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276813 725666242 /nfs/dbraw/zinc/66/62/42/725666242.db2.gz BGKAWJXVNXZPQN-QUCCMNQESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992366605 725749583 /nfs/dbraw/zinc/74/95/83/725749583.db2.gz GDNOBKCEFOOGHG-AZUAARDMSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992404778 725781042 /nfs/dbraw/zinc/78/10/42/725781042.db2.gz MMVCXWKBNJYLGX-PZJWPPBQSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057808 726181201 /nfs/dbraw/zinc/18/12/01/726181201.db2.gz ZGJUYXBXWHTDCH-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811549 727527846 /nfs/dbraw/zinc/52/78/46/727527846.db2.gz ZJYFEYZCGJRWDF-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811554 727527953 /nfs/dbraw/zinc/52/79/53/727527953.db2.gz ZJYFEYZCGJRWDF-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994471550 727762584 /nfs/dbraw/zinc/76/25/84/727762584.db2.gz LGFOVAHEIDDLTM-RDJZCZTQSA-N 2 1 333.476 2.890 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503550 727772890 /nfs/dbraw/zinc/77/28/90/727772890.db2.gz WDXWTPNCQIHFNE-MJGOQNOKSA-N 2 1 347.547 2.737 20 30 EFEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000058171454 728148014 /nfs/dbraw/zinc/14/80/14/728148014.db2.gz MENIUUDJORKZGL-MAUKXSAKSA-N 2 1 332.492 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771177 728309173 /nfs/dbraw/zinc/30/91/73/728309173.db2.gz HLVXKXRFAHNMJB-GJZGRUSLSA-N 2 1 338.883 2.728 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000170908832 728494230 /nfs/dbraw/zinc/49/42/30/728494230.db2.gz KZLYHEOHGLPXFD-SFHVURJKSA-N 2 1 340.471 2.711 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829348 728530689 /nfs/dbraw/zinc/53/06/89/728530689.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829348 728530690 /nfs/dbraw/zinc/53/06/90/728530690.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829348 728530692 /nfs/dbraw/zinc/53/06/92/728530692.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069852 729466645 /nfs/dbraw/zinc/46/66/45/729466645.db2.gz LAZWPDRVPRSGJA-PKOBYXMFSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001569910971 1085751990 /nfs/dbraw/zinc/75/19/90/1085751990.db2.gz YHXYVBNXHOYVNJ-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001569910971 1085752000 /nfs/dbraw/zinc/75/20/00/1085752000.db2.gz YHXYVBNXHOYVNJ-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001569910971 1085752005 /nfs/dbraw/zinc/75/20/05/1085752005.db2.gz YHXYVBNXHOYVNJ-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574835729 1088114791 /nfs/dbraw/zinc/11/47/91/1088114791.db2.gz FLBGZMZBUCHIKO-MOPGFXCFSA-N 2 1 332.492 2.611 20 30 EFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892506 1088141294 /nfs/dbraw/zinc/14/12/94/1088141294.db2.gz DQVZLTUDPMODEM-YFVAEKQCSA-N 2 1 341.499 2.712 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961669 1090733305 /nfs/dbraw/zinc/73/33/05/1090733305.db2.gz PRMSDQGMKNGCCS-PZJWPPBQSA-N 2 1 349.482 2.910 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961670 1090733783 /nfs/dbraw/zinc/73/37/83/1090733783.db2.gz PRMSDQGMKNGCCS-TZIWHRDSSA-N 2 1 349.482 2.910 20 30 EFEDMP N#Cc1c(NC(=O)CC[NH2+][C@H](C[NH3+])C2CCCC2)sc2c1CCC2 ZINC001580057467 1090757403 /nfs/dbraw/zinc/75/74/03/1090757403.db2.gz WHIHXUWAMKKGFX-OAHLLOKOSA-N 2 1 346.500 2.544 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454480 1093046543 /nfs/dbraw/zinc/04/65/43/1093046543.db2.gz VMFQAUZEEUSXJV-PKOBYXMFSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075454361 1093048967 /nfs/dbraw/zinc/04/89/67/1093048967.db2.gz RPNDMYBNUDDOMH-ICSRJNTNSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515049 1093191983 /nfs/dbraw/zinc/19/19/83/1093191983.db2.gz TXMBXISJOBYCMF-BJLQDIEVSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461326 1093314486 /nfs/dbraw/zinc/31/44/86/1093314486.db2.gz CRIPNYQTSGJLSC-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461326 1093314493 /nfs/dbraw/zinc/31/44/93/1093314493.db2.gz CRIPNYQTSGJLSC-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461326 1093314499 /nfs/dbraw/zinc/31/44/99/1093314499.db2.gz CRIPNYQTSGJLSC-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461667 1093327122 /nfs/dbraw/zinc/32/71/22/1093327122.db2.gz NUXVQSRKUURVMA-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461667 1093327129 /nfs/dbraw/zinc/32/71/29/1093327129.db2.gz NUXVQSRKUURVMA-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461667 1093327141 /nfs/dbraw/zinc/32/71/41/1093327141.db2.gz NUXVQSRKUURVMA-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623582 1094394303 /nfs/dbraw/zinc/39/43/03/1094394303.db2.gz MCZDTCPXGZHWLD-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710665 1094430984 /nfs/dbraw/zinc/43/09/84/1094430984.db2.gz KUEKLWCQYUAFMR-IBGZPJMESA-N 2 1 341.499 2.579 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2ccnc2)C1 ZINC001112021567 1094702472 /nfs/dbraw/zinc/70/24/72/1094702472.db2.gz VBPZTJSYILSDPA-HKUYNNGSSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529769 1094754153 /nfs/dbraw/zinc/75/41/53/1094754153.db2.gz OMCLHRCERABJFP-BJLQDIEVSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303009 1095160046 /nfs/dbraw/zinc/16/00/46/1095160046.db2.gz FCMFBYRPJWQFHX-NXHRZFHOSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303009 1095160049 /nfs/dbraw/zinc/16/00/49/1095160049.db2.gz FCMFBYRPJWQFHX-NXHRZFHOSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303009 1095160055 /nfs/dbraw/zinc/16/00/55/1095160055.db2.gz FCMFBYRPJWQFHX-NXHRZFHOSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307338 1095203711 /nfs/dbraw/zinc/20/37/11/1095203711.db2.gz YDPDOMGZMXGASY-RLLQIKCJSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309098 1095234878 /nfs/dbraw/zinc/23/48/78/1095234878.db2.gz ANFQOAOXHCIGKX-MISYRCLQSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317549 1095317669 /nfs/dbraw/zinc/31/76/69/1095317669.db2.gz KEELMYLAKFUCQD-BHIYHBOVSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317549 1095317683 /nfs/dbraw/zinc/31/76/83/1095317683.db2.gz KEELMYLAKFUCQD-BHIYHBOVSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317680 1095318914 /nfs/dbraw/zinc/31/89/14/1095318914.db2.gz LHKCFQADBHQOHJ-NZSAHSFTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957184 1095779254 /nfs/dbraw/zinc/77/92/54/1095779254.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957184 1095779263 /nfs/dbraw/zinc/77/92/63/1095779263.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957184 1095779271 /nfs/dbraw/zinc/77/92/71/1095779271.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981957964 1095795141 /nfs/dbraw/zinc/79/51/41/1095795141.db2.gz ANMFZAWIVGVDKL-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981957964 1095795150 /nfs/dbraw/zinc/79/51/50/1095795150.db2.gz ANMFZAWIVGVDKL-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981957964 1095795159 /nfs/dbraw/zinc/79/51/59/1095795159.db2.gz ANMFZAWIVGVDKL-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732511 1096632558 /nfs/dbraw/zinc/63/25/58/1096632558.db2.gz LNPLQBMFBHANJS-VQTJNVASSA-N 2 1 343.515 2.877 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481956639 1096994707 /nfs/dbraw/zinc/99/47/07/1096994707.db2.gz BAWCJTQLHPOMRT-RDTXWAMCSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067671 1099554507 /nfs/dbraw/zinc/55/45/07/1099554507.db2.gz OMKAZKUZTQZRCB-QRQLOZEOSA-N 2 1 329.488 2.550 20 30 EFEDMP C=CCOCc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2c1C[NH2+]C2 ZINC001167986643 1099558768 /nfs/dbraw/zinc/55/87/68/1099558768.db2.gz HQJVIRNRCNFMPV-SJPCQFCGSA-N 2 1 342.487 2.767 20 30 EFEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494500 1100028180 /nfs/dbraw/zinc/02/81/80/1100028180.db2.gz RVNXWWDGFGMBSS-AOCRQIFASA-N 2 1 333.520 2.844 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573072 1100540337 /nfs/dbraw/zinc/54/03/37/1100540337.db2.gz RPJINMKZRFOWDS-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573072 1100540341 /nfs/dbraw/zinc/54/03/41/1100540341.db2.gz RPJINMKZRFOWDS-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573072 1100540349 /nfs/dbraw/zinc/54/03/49/1100540349.db2.gz RPJINMKZRFOWDS-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105395592 1100555413 /nfs/dbraw/zinc/55/54/13/1100555413.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105395592 1100555421 /nfs/dbraw/zinc/55/54/21/1100555421.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105395592 1100555429 /nfs/dbraw/zinc/55/54/29/1100555429.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395668 1100557609 /nfs/dbraw/zinc/55/76/09/1100557609.db2.gz CNFYZPNLFPLTAT-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601997 1100580636 /nfs/dbraw/zinc/58/06/36/1100580636.db2.gz TUTARBVRCDGGDI-GVDBMIGSSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601997 1100580642 /nfs/dbraw/zinc/58/06/42/1100580642.db2.gz TUTARBVRCDGGDI-GVDBMIGSSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@H]1CC ZINC001087660962 1100637167 /nfs/dbraw/zinc/63/71/67/1100637167.db2.gz MFITYWOPORGJGS-ZWKOTPCHSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660962 1100637172 /nfs/dbraw/zinc/63/71/72/1100637172.db2.gz MFITYWOPORGJGS-ZWKOTPCHSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660962 1100637175 /nfs/dbraw/zinc/63/71/75/1100637175.db2.gz MFITYWOPORGJGS-ZWKOTPCHSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791171 1100773916 /nfs/dbraw/zinc/77/39/16/1100773916.db2.gz ZPJJULGWSQHIFE-RBUKOAKNSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840512 1100855916 /nfs/dbraw/zinc/85/59/16/1100855916.db2.gz AHRMKQBBSWVBBE-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C#CCOCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031521 1100933786 /nfs/dbraw/zinc/93/37/86/1100933786.db2.gz ZPSYHDASXNKDRS-CEQLMSFQSA-N 2 1 344.499 2.684 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967397 1101097512 /nfs/dbraw/zinc/09/75/12/1101097512.db2.gz VDRMPZGGIQGRSH-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967397 1101097518 /nfs/dbraw/zinc/09/75/18/1101097518.db2.gz VDRMPZGGIQGRSH-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967397 1101097521 /nfs/dbraw/zinc/09/75/21/1101097521.db2.gz VDRMPZGGIQGRSH-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992251 1101165817 /nfs/dbraw/zinc/16/58/17/1101165817.db2.gz LPGGVQRUNGFIJH-AABGKKOBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992251 1101165822 /nfs/dbraw/zinc/16/58/22/1101165822.db2.gz LPGGVQRUNGFIJH-AABGKKOBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992251 1101165827 /nfs/dbraw/zinc/16/58/27/1101165827.db2.gz LPGGVQRUNGFIJH-AABGKKOBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999596 1101174918 /nfs/dbraw/zinc/17/49/18/1101174918.db2.gz SYQFULOKLCMRCT-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999596 1101174925 /nfs/dbraw/zinc/17/49/25/1101174925.db2.gz SYQFULOKLCMRCT-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999596 1101174931 /nfs/dbraw/zinc/17/49/31/1101174931.db2.gz SYQFULOKLCMRCT-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426591 1101584082 /nfs/dbraw/zinc/58/40/82/1101584082.db2.gz UVBMWBCFBRSKJY-QZTJIDSGSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426614 1101585914 /nfs/dbraw/zinc/58/59/14/1101585914.db2.gz VNORCZFTNAEWPA-ROUUACIJSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129112 1101621375 /nfs/dbraw/zinc/62/13/75/1101621375.db2.gz XOXZDDOHJZNFMB-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129112 1101621379 /nfs/dbraw/zinc/62/13/79/1101621379.db2.gz XOXZDDOHJZNFMB-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212796 1101892398 /nfs/dbraw/zinc/89/23/98/1101892398.db2.gz QUIMNFPOGMZVMX-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286587 1102578443 /nfs/dbraw/zinc/57/84/43/1102578443.db2.gz FOIVABQELHLEMB-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286588 1102578487 /nfs/dbraw/zinc/57/84/87/1102578487.db2.gz FOIVABQELHLEMB-QRVBRYPASA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287007 1102579876 /nfs/dbraw/zinc/57/98/76/1102579876.db2.gz QIBKOVMFXSAIPU-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311850 1102841770 /nfs/dbraw/zinc/84/17/70/1102841770.db2.gz IKOXEJJUKFMQLD-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311849 1102842914 /nfs/dbraw/zinc/84/29/14/1102842914.db2.gz IKOXEJJUKFMQLD-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294720 1102879756 /nfs/dbraw/zinc/87/97/56/1102879756.db2.gz YOWFBAQGCSWVNA-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324973 1102925000 /nfs/dbraw/zinc/92/50/00/1102925000.db2.gz DYRHHLSCFOSKDM-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329902 1102942027 /nfs/dbraw/zinc/94/20/27/1102942027.db2.gz KAVHGDZSZVDRBG-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336350 1102996362 /nfs/dbraw/zinc/99/63/62/1102996362.db2.gz BNRBEAOWLVZWRN-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991065341 1103402118 /nfs/dbraw/zinc/40/21/18/1103402118.db2.gz FKRCHUJTAUCLEG-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991065341 1103402122 /nfs/dbraw/zinc/40/21/22/1103402122.db2.gz FKRCHUJTAUCLEG-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991065341 1103402126 /nfs/dbraw/zinc/40/21/26/1103402126.db2.gz FKRCHUJTAUCLEG-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430940 1103587640 /nfs/dbraw/zinc/58/76/40/1103587640.db2.gz BUPGZWRVYZSINV-OALUTQOASA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569126 1104582857 /nfs/dbraw/zinc/58/28/57/1104582857.db2.gz HVVYMRLCQXVMEK-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569126 1104582860 /nfs/dbraw/zinc/58/28/60/1104582860.db2.gz HVVYMRLCQXVMEK-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569126 1104582869 /nfs/dbraw/zinc/58/28/69/1104582869.db2.gz HVVYMRLCQXVMEK-AOIWGVFYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622007 1105522855 /nfs/dbraw/zinc/52/28/55/1105522855.db2.gz CVAFWAWIBVXUGJ-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622007 1105522860 /nfs/dbraw/zinc/52/28/60/1105522860.db2.gz CVAFWAWIBVXUGJ-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105560878 1105938385 /nfs/dbraw/zinc/93/83/85/1105938385.db2.gz FBCQGSBESFYYSE-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576580 1105964120 /nfs/dbraw/zinc/96/41/20/1105964120.db2.gz IGUAXRPVEIQPJN-SFHVURJKSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576552 1105964155 /nfs/dbraw/zinc/96/41/55/1105964155.db2.gz HFJOZZWOAUSBSI-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577329 1105966403 /nfs/dbraw/zinc/96/64/03/1105966403.db2.gz UMVPHOHSVUBONJ-GOSISDBHSA-N 2 1 344.503 2.909 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989730004 1106602923 /nfs/dbraw/zinc/60/29/23/1106602923.db2.gz JKABRFYFRXGRLK-UHFFFAOYSA-N 2 1 329.488 2.862 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CCC([NH+](C)C)CC3)C2)C1 ZINC001168313360 1106603292 /nfs/dbraw/zinc/60/32/92/1106603292.db2.gz AFSSRIFLJUNSKU-QLOJAFMTSA-N 2 1 349.519 2.970 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922430 1107018604 /nfs/dbraw/zinc/01/86/04/1107018604.db2.gz KQPMQIJCKVKGLD-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079469 1107279634 /nfs/dbraw/zinc/27/96/34/1107279634.db2.gz DGLOSTNGRSPONE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079469 1107279647 /nfs/dbraw/zinc/27/96/47/1107279647.db2.gz DGLOSTNGRSPONE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079469 1107279661 /nfs/dbraw/zinc/27/96/61/1107279661.db2.gz DGLOSTNGRSPONE-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345012 1107379574 /nfs/dbraw/zinc/37/95/74/1107379574.db2.gz KHQZIGRTVFMUES-KRWDZBQOSA-N 2 1 349.906 2.918 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393365 1108316962 /nfs/dbraw/zinc/31/69/62/1108316962.db2.gz AZBRIISYRYXSPF-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393365 1108316977 /nfs/dbraw/zinc/31/69/77/1108316977.db2.gz AZBRIISYRYXSPF-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624493 /nfs/dbraw/zinc/62/44/93/1108624493.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624501 /nfs/dbraw/zinc/62/45/01/1108624501.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624505 /nfs/dbraw/zinc/62/45/05/1108624505.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040282698 1108695971 /nfs/dbraw/zinc/69/59/71/1108695971.db2.gz YMEAEFMSCWTOSF-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470268 1108733202 /nfs/dbraw/zinc/73/32/02/1108733202.db2.gz HJNBAXYRTMJSBA-KPFFTGBYSA-N 2 1 344.503 2.765 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106350077 1111442864 /nfs/dbraw/zinc/44/28/64/1111442864.db2.gz WWZFFVWTVSRHFG-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106358147 1111455459 /nfs/dbraw/zinc/45/54/59/1111455459.db2.gz WDEUTBXEDAYXEM-OIISXLGYSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570837 1111641742 /nfs/dbraw/zinc/64/17/42/1111641742.db2.gz ATLMASDTNRLMTN-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571012 1111641812 /nfs/dbraw/zinc/64/18/12/1111641812.db2.gz JIDQSCAMSIECOE-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729171 1111770668 /nfs/dbraw/zinc/77/06/68/1111770668.db2.gz LCJRVVXCECGEHA-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106866209 1111928997 /nfs/dbraw/zinc/92/89/97/1111928997.db2.gz ZWMWKSPDYRKDEE-QRQLOZEOSA-N 2 1 329.488 2.550 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386987 1112052045 /nfs/dbraw/zinc/05/20/45/1112052045.db2.gz WFLIMJPMHYGVTD-GOSISDBHSA-N 2 1 347.547 2.881 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403364 1112073530 /nfs/dbraw/zinc/07/35/30/1112073530.db2.gz RLCKEAXTVJHPKW-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403364 1112073534 /nfs/dbraw/zinc/07/35/34/1112073534.db2.gz RLCKEAXTVJHPKW-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403364 1112073538 /nfs/dbraw/zinc/07/35/38/1112073538.db2.gz RLCKEAXTVJHPKW-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407225 1112080017 /nfs/dbraw/zinc/08/00/17/1112080017.db2.gz XIIYWNFJVWZICO-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407225 1112080020 /nfs/dbraw/zinc/08/00/20/1112080020.db2.gz XIIYWNFJVWZICO-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407225 1112080023 /nfs/dbraw/zinc/08/00/23/1112080023.db2.gz XIIYWNFJVWZICO-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)C)CC(C)(C)C1 ZINC001089410749 1112084436 /nfs/dbraw/zinc/08/44/36/1112084436.db2.gz UDGGIVOPGFGWTG-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC(C)(C)C1 ZINC001089410749 1112084440 /nfs/dbraw/zinc/08/44/40/1112084440.db2.gz UDGGIVOPGFGWTG-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001089410749 1112084445 /nfs/dbraw/zinc/08/44/45/1112084445.db2.gz UDGGIVOPGFGWTG-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001089410749 1112084450 /nfs/dbraw/zinc/08/44/50/1112084450.db2.gz UDGGIVOPGFGWTG-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2OC)CC(C)(C)C1 ZINC001089416459 1112095421 /nfs/dbraw/zinc/09/54/21/1112095421.db2.gz MHSINUQGXADQSX-QGZVFWFLSA-N 2 1 345.487 2.816 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427150 1112116947 /nfs/dbraw/zinc/11/69/47/1112116947.db2.gz OLQOHMVZCOXYJD-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427150 1112116948 /nfs/dbraw/zinc/11/69/48/1112116948.db2.gz OLQOHMVZCOXYJD-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427150 1112116951 /nfs/dbraw/zinc/11/69/51/1112116951.db2.gz OLQOHMVZCOXYJD-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428506 1112119787 /nfs/dbraw/zinc/11/97/87/1112119787.db2.gz YPPXYSBLCOOIMM-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428506 1112119788 /nfs/dbraw/zinc/11/97/88/1112119788.db2.gz YPPXYSBLCOOIMM-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428506 1112119790 /nfs/dbraw/zinc/11/97/90/1112119790.db2.gz YPPXYSBLCOOIMM-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221346 /nfs/dbraw/zinc/22/13/46/1112221346.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221350 /nfs/dbraw/zinc/22/13/50/1112221350.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221352 /nfs/dbraw/zinc/22/13/52/1112221352.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492883 1112228514 /nfs/dbraw/zinc/22/85/14/1112228514.db2.gz PYAJPEBWVMWJLT-HOCLYGCPSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492883 1112228515 /nfs/dbraw/zinc/22/85/15/1112228515.db2.gz PYAJPEBWVMWJLT-HOCLYGCPSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492883 1112228517 /nfs/dbraw/zinc/22/85/17/1112228517.db2.gz PYAJPEBWVMWJLT-HOCLYGCPSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509072 1112251496 /nfs/dbraw/zinc/25/14/96/1112251496.db2.gz DSFBSCDHSYWMNW-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509474 1112251846 /nfs/dbraw/zinc/25/18/46/1112251846.db2.gz HRYODMHIBROPNW-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089507026 1112252595 /nfs/dbraw/zinc/25/25/95/1112252595.db2.gz MQVKPWRRCJQCKH-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089507026 1112252596 /nfs/dbraw/zinc/25/25/96/1112252596.db2.gz MQVKPWRRCJQCKH-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509889 1112259676 /nfs/dbraw/zinc/25/96/76/1112259676.db2.gz KHTIORLFDUYLLB-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527255 1112271020 /nfs/dbraw/zinc/27/10/20/1112271020.db2.gz LQLJVQVEEFXBTQ-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536306 1112275524 /nfs/dbraw/zinc/27/55/24/1112275524.db2.gz BBOXWZDQRKHCDU-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641277 1112432091 /nfs/dbraw/zinc/43/20/91/1112432091.db2.gz KLBYCDNZANQINE-RTBURBONSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089640287 1112433072 /nfs/dbraw/zinc/43/30/72/1112433072.db2.gz DWBZAGYMNWECFJ-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641782 1112434962 /nfs/dbraw/zinc/43/49/62/1112434962.db2.gz SPFVDUOZZFMXEF-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089643171 1112437146 /nfs/dbraw/zinc/43/71/46/1112437146.db2.gz UIYPZDIQBFNUOZ-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089643171 1112437147 /nfs/dbraw/zinc/43/71/47/1112437147.db2.gz UIYPZDIQBFNUOZ-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089643171 1112437148 /nfs/dbraw/zinc/43/71/48/1112437148.db2.gz UIYPZDIQBFNUOZ-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089643171 1112437149 /nfs/dbraw/zinc/43/71/49/1112437149.db2.gz UIYPZDIQBFNUOZ-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089650048 1112475002 /nfs/dbraw/zinc/47/50/02/1112475002.db2.gz SEEZEZJNZBWWDT-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089650048 1112475005 /nfs/dbraw/zinc/47/50/05/1112475005.db2.gz SEEZEZJNZBWWDT-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089650048 1112475009 /nfs/dbraw/zinc/47/50/09/1112475009.db2.gz SEEZEZJNZBWWDT-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089650048 1112475014 /nfs/dbraw/zinc/47/50/14/1112475014.db2.gz SEEZEZJNZBWWDT-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649511 1112475591 /nfs/dbraw/zinc/47/55/91/1112475591.db2.gz KPEJZDYLJTUFOD-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649511 1112475593 /nfs/dbraw/zinc/47/55/93/1112475593.db2.gz KPEJZDYLJTUFOD-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649643 1112478448 /nfs/dbraw/zinc/47/84/48/1112478448.db2.gz MECDDRGOINDOJM-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649643 1112478449 /nfs/dbraw/zinc/47/84/49/1112478449.db2.gz MECDDRGOINDOJM-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649643 1112478450 /nfs/dbraw/zinc/47/84/50/1112478450.db2.gz MECDDRGOINDOJM-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649641 1112478511 /nfs/dbraw/zinc/47/85/11/1112478511.db2.gz MECDDRGOINDOJM-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649641 1112478513 /nfs/dbraw/zinc/47/85/13/1112478513.db2.gz MECDDRGOINDOJM-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649641 1112478515 /nfs/dbraw/zinc/47/85/15/1112478515.db2.gz MECDDRGOINDOJM-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001483833162 1112494482 /nfs/dbraw/zinc/49/44/82/1112494482.db2.gz UTUQMHPEERJIEB-SFHVURJKSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001483833162 1112494483 /nfs/dbraw/zinc/49/44/83/1112494483.db2.gz UTUQMHPEERJIEB-SFHVURJKSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001483833162 1112494484 /nfs/dbraw/zinc/49/44/84/1112494484.db2.gz UTUQMHPEERJIEB-SFHVURJKSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001483833162 1112494485 /nfs/dbraw/zinc/49/44/85/1112494485.db2.gz UTUQMHPEERJIEB-SFHVURJKSA-N 2 1 341.927 2.785 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663657 1112607460 /nfs/dbraw/zinc/60/74/60/1112607460.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663657 1112607461 /nfs/dbraw/zinc/60/74/61/1112607461.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663657 1112607464 /nfs/dbraw/zinc/60/74/64/1112607464.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001089660922 1112608981 /nfs/dbraw/zinc/60/89/81/1112608981.db2.gz RVPCBUKHUMXBJA-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671437 1112660642 /nfs/dbraw/zinc/66/06/42/1112660642.db2.gz RXRACIHZEJMIAQ-GOSISDBHSA-N 2 1 338.455 2.578 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484169608 1112877348 /nfs/dbraw/zinc/87/73/48/1112877348.db2.gz CPOQERMLAYIDAG-SFHVURJKSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484169608 1112877354 /nfs/dbraw/zinc/87/73/54/1112877354.db2.gz CPOQERMLAYIDAG-SFHVURJKSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710623 1112904816 /nfs/dbraw/zinc/90/48/16/1112904816.db2.gz LFXUPCNYOUVRFN-IBGZPJMESA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001089722399 1112948598 /nfs/dbraw/zinc/94/85/98/1112948598.db2.gz YHMLSVWSTLRWGY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001089722399 1112948601 /nfs/dbraw/zinc/94/86/01/1112948601.db2.gz YHMLSVWSTLRWGY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089722399 1112948603 /nfs/dbraw/zinc/94/86/03/1112948603.db2.gz YHMLSVWSTLRWGY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089722399 1112948605 /nfs/dbraw/zinc/94/86/05/1112948605.db2.gz YHMLSVWSTLRWGY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001089722400 1112949096 /nfs/dbraw/zinc/94/90/96/1112949096.db2.gz YHMLSVWSTLRWGY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001089722400 1112949100 /nfs/dbraw/zinc/94/91/00/1112949100.db2.gz YHMLSVWSTLRWGY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089722400 1112949105 /nfs/dbraw/zinc/94/91/05/1112949105.db2.gz YHMLSVWSTLRWGY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089722400 1112949108 /nfs/dbraw/zinc/94/91/08/1112949108.db2.gz YHMLSVWSTLRWGY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806631 1113060387 /nfs/dbraw/zinc/06/03/87/1113060387.db2.gz RIPNZEHWZDPTAV-MANSERQUSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484830221 1117748771 /nfs/dbraw/zinc/74/87/71/1117748771.db2.gz NXYXWXZUTYISNF-QUCCMNQESA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518867 1118921966 /nfs/dbraw/zinc/92/19/66/1118921966.db2.gz YMHQANYLORAFSF-WBMJQRKESA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518867 1118921968 /nfs/dbraw/zinc/92/19/68/1118921968.db2.gz YMHQANYLORAFSF-WBMJQRKESA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520919 1118924020 /nfs/dbraw/zinc/92/40/20/1118924020.db2.gz NAVGCVVIFDSRQJ-IRXDYDNUSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520919 1118924022 /nfs/dbraw/zinc/92/40/22/1118924022.db2.gz NAVGCVVIFDSRQJ-IRXDYDNUSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520917 1118924052 /nfs/dbraw/zinc/92/40/52/1118924052.db2.gz NAVGCVVIFDSRQJ-DLBZAZTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520917 1118924055 /nfs/dbraw/zinc/92/40/55/1118924055.db2.gz NAVGCVVIFDSRQJ-DLBZAZTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529955 1118930827 /nfs/dbraw/zinc/93/08/27/1118930827.db2.gz OFORLHKJPPXEHM-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519955 1119534351 /nfs/dbraw/zinc/53/43/51/1119534351.db2.gz ZYGPRUHEUFKFQZ-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877734 1119759034 /nfs/dbraw/zinc/75/90/34/1119759034.db2.gz PIIXMOVZERUVBW-YOEHRIQHSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877734 1119759036 /nfs/dbraw/zinc/75/90/36/1119759036.db2.gz PIIXMOVZERUVBW-YOEHRIQHSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167332 1119975186 /nfs/dbraw/zinc/97/51/86/1119975186.db2.gz COIFZGSOVBPSKW-RDJZCZTQSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167332 1119975190 /nfs/dbraw/zinc/97/51/90/1119975190.db2.gz COIFZGSOVBPSKW-RDJZCZTQSA-N 2 1 330.476 2.554 20 30 EFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)o3)CC2)oc1C ZINC000174382559 231193721 /nfs/dbraw/zinc/19/37/21/231193721.db2.gz VMLSMSSEHBNRST-UHFFFAOYSA-N 2 1 328.416 2.758 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(NCCC[NH+]3CCCC3)CC2)cc1 ZINC000181418372 234178565 /nfs/dbraw/zinc/17/85/65/234178565.db2.gz RVKWCBUCMNJPTQ-UHFFFAOYSA-N 2 1 326.488 2.598 20 30 EFEDMP C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262448770 240353813 /nfs/dbraw/zinc/35/38/13/240353813.db2.gz VQZNNIPGQMRYAW-JKQORVJESA-N 2 1 334.533 2.952 20 30 EFEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158906064 239017782 /nfs/dbraw/zinc/01/77/82/239017782.db2.gz GDPIBQVANRMVDI-ROUUACIJSA-N 2 1 348.535 2.723 20 30 EFEDMP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000175796795 239285554 /nfs/dbraw/zinc/28/55/54/239285554.db2.gz WNZQBZXCVVTFDD-LMMKCTJWSA-N 2 1 332.492 2.641 20 30 EFEDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000237412587 240243371 /nfs/dbraw/zinc/24/33/71/240243371.db2.gz HFECVWQUSIXQOQ-KRWDZBQOSA-N 2 1 343.471 2.952 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249744109 240303540 /nfs/dbraw/zinc/30/35/40/240303540.db2.gz BFRSSAHQFIDGSH-IAGOWNOFSA-N 2 1 329.488 2.699 20 30 EFEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245975760 240263180 /nfs/dbraw/zinc/26/31/80/240263180.db2.gz GDPIBQVANRMVDI-ZWKOTPCHSA-N 2 1 348.535 2.723 20 30 EFEDMP C[NH+]=C(NCC(F)F)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246535694 240269701 /nfs/dbraw/zinc/26/97/01/240269701.db2.gz VCCPADNCVCVIHK-SMDDNHRTSA-N 2 1 330.448 2.561 20 30 EFEDMP CC[NH+]=C(NCc1ccc(F)cc1F)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261953328 240331425 /nfs/dbraw/zinc/33/14/25/240331425.db2.gz IBQQWJIXGPCWLR-YVEFUNNKSA-N 2 1 336.430 2.503 20 30 EFEDMP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261976208 240336927 /nfs/dbraw/zinc/33/69/27/240336927.db2.gz NSABXCQQJKXLKW-YVEFUNNKSA-N 2 1 336.430 2.503 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262010023 240339748 /nfs/dbraw/zinc/33/97/48/240339748.db2.gz JHOLTSNGZZUADY-CJNGLKHVSA-N 2 1 338.858 2.952 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C)C1 ZINC000262018517 240341641 /nfs/dbraw/zinc/34/16/41/240341641.db2.gz WWFQOFWDPDGHRU-LSDHHAIUSA-N 2 1 346.475 2.695 20 30 EFEDMP CC[C@@H]1CN(C(NC[C@@H]2CCC[N@H+](C(C)C)C2)=[NH+]C)CCS1 ZINC000262021960 240343148 /nfs/dbraw/zinc/34/31/48/240343148.db2.gz WFHXURGXMYPJCU-JKSUJKDBSA-N 2 1 326.554 2.510 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262231438 240343882 /nfs/dbraw/zinc/34/38/82/240343882.db2.gz MHRVCXGJDAENLC-WNRNVDISSA-N 2 1 332.536 2.995 20 30 EFEDMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263014614 240377447 /nfs/dbraw/zinc/37/74/47/240377447.db2.gz ZENYENVCXYBUHO-MRXNPFEDSA-N 2 1 330.476 2.537 20 30 EFEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303768260 241196089 /nfs/dbraw/zinc/19/60/89/241196089.db2.gz AEXHVKPYOBMDGG-GOSISDBHSA-N 2 1 348.491 2.557 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329465374 241375699 /nfs/dbraw/zinc/37/56/99/241375699.db2.gz VAMRIAURGSCRIE-CJNGLKHVSA-N 2 1 347.507 2.868 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329465374 241375704 /nfs/dbraw/zinc/37/57/04/241375704.db2.gz VAMRIAURGSCRIE-CJNGLKHVSA-N 2 1 347.507 2.868 20 30 EFEDMP C[NH+]1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000329238134 241331713 /nfs/dbraw/zinc/33/17/13/241331713.db2.gz PLECOQWJYLYJHZ-IAGOWNOFSA-N 2 1 344.459 2.920 20 30 EFEDMP C[NH+]1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000329238134 241331716 /nfs/dbraw/zinc/33/17/16/241331716.db2.gz PLECOQWJYLYJHZ-IAGOWNOFSA-N 2 1 344.459 2.920 20 30 EFEDMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000365321373 242322905 /nfs/dbraw/zinc/32/29/05/242322905.db2.gz PWDIMXUOHBKOHM-KKXNLOMOSA-N 2 1 327.472 2.701 20 30 EFEDMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000365321373 242322909 /nfs/dbraw/zinc/32/29/09/242322909.db2.gz PWDIMXUOHBKOHM-KKXNLOMOSA-N 2 1 327.472 2.701 20 30 EFEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000414265904 244067704 /nfs/dbraw/zinc/06/77/04/244067704.db2.gz LXWRODRXGXVDES-MTQWCTHYSA-N 2 1 327.472 2.805 20 30 EFEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000414265904 244067708 /nfs/dbraw/zinc/06/77/08/244067708.db2.gz LXWRODRXGXVDES-MTQWCTHYSA-N 2 1 327.472 2.805 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)c(C)c1 ZINC000344148468 145379710 /nfs/dbraw/zinc/37/97/10/145379710.db2.gz QZXZEIXRZMZKRY-UHFFFAOYSA-N 2 1 328.504 2.716 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174383 145384940 /nfs/dbraw/zinc/38/49/40/145384940.db2.gz QRQNDBBBXHTOLE-OXQOHEQNSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174383 145384941 /nfs/dbraw/zinc/38/49/41/145384941.db2.gz QRQNDBBBXHTOLE-OXQOHEQNSA-N 2 1 326.488 2.595 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079195 146048955 /nfs/dbraw/zinc/04/89/55/146048955.db2.gz SFTWPPSGZGMKIT-HXUWFJFHSA-N 2 1 328.504 2.715 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116813 /nfs/dbraw/zinc/11/68/13/149116813.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116815 /nfs/dbraw/zinc/11/68/15/149116815.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116818 /nfs/dbraw/zinc/11/68/18/149116818.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172643 151295633 /nfs/dbraw/zinc/29/56/33/151295633.db2.gz GCKUSLCXQOGEOL-UHFFFAOYSA-N 2 1 343.471 2.753 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)nc1 ZINC000374197740 151299628 /nfs/dbraw/zinc/29/96/28/151299628.db2.gz FIZCJMBMVFPIBE-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123114245 222219106 /nfs/dbraw/zinc/21/91/06/222219106.db2.gz YZTDMVCQQSPFCW-MRXNPFEDSA-N 2 1 342.487 2.939 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789940 266274160 /nfs/dbraw/zinc/27/41/60/266274160.db2.gz UIRVYOGGGSEFAJ-LPHOPBHVSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789940 266274162 /nfs/dbraw/zinc/27/41/62/266274162.db2.gz UIRVYOGGGSEFAJ-LPHOPBHVSA-N 2 1 345.487 2.793 20 30 EFEDMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000276881216 267068445 /nfs/dbraw/zinc/06/84/45/267068445.db2.gz IXJLDSRUNNJWMZ-UHFFFAOYSA-N 2 1 342.487 2.941 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331866962 275738763 /nfs/dbraw/zinc/73/87/63/275738763.db2.gz GIDJDVQNRGWJDZ-SJORKVTESA-N 2 1 347.463 2.905 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086203 276170424 /nfs/dbraw/zinc/17/04/24/276170424.db2.gz JIGREJNCGAPOCJ-GUDVDZBRSA-N 2 1 344.503 2.543 20 30 EFEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000262492937 279240759 /nfs/dbraw/zinc/24/07/59/279240759.db2.gz JOMCELUAHARSOO-BFYDXBDKSA-N 2 1 330.476 2.535 20 30 EFEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000364751807 290384582 /nfs/dbraw/zinc/38/45/82/290384582.db2.gz VGQSCSYIIHQIPR-KRWDZBQOSA-N 2 1 346.519 2.525 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000364751807 290384587 /nfs/dbraw/zinc/38/45/87/290384587.db2.gz VGQSCSYIIHQIPR-KRWDZBQOSA-N 2 1 346.519 2.525 20 30 EFEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000262338668 303219261 /nfs/dbraw/zinc/21/92/61/303219261.db2.gz ZVQONMGMQTWWRO-UHFFFAOYSA-N 2 1 330.382 2.750 20 30 EFEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000262338668 303219265 /nfs/dbraw/zinc/21/92/65/303219265.db2.gz ZVQONMGMQTWWRO-UHFFFAOYSA-N 2 1 330.382 2.750 20 30 EFEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000578457133 320208608 /nfs/dbraw/zinc/20/86/08/320208608.db2.gz IADYGGPOGHOSOB-UHFFFAOYSA-N 2 1 330.476 2.524 20 30 EFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568873 473221977 /nfs/dbraw/zinc/22/19/77/473221977.db2.gz IPWMKXJDKCTCMH-INIZCTEOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568873 473221982 /nfs/dbraw/zinc/22/19/82/473221982.db2.gz IPWMKXJDKCTCMH-INIZCTEOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568873 473221988 /nfs/dbraw/zinc/22/19/88/473221988.db2.gz IPWMKXJDKCTCMH-INIZCTEOSA-N 2 1 328.460 2.551 20 30 EFEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113340168 473385963 /nfs/dbraw/zinc/38/59/63/473385963.db2.gz FDRFDMWAZNATOO-KRWDZBQOSA-N 2 1 337.471 2.895 20 30 EFEDMP C=C(C)C[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076554204 472366185 /nfs/dbraw/zinc/36/61/85/472366185.db2.gz XRHZJTNSPLITCJ-UHFFFAOYSA-N 2 1 329.488 2.797 20 30 EFEDMP C#CCNC(=[NH+]CC)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000119471364 472558360 /nfs/dbraw/zinc/55/83/60/472558360.db2.gz JRIXWAFWTBLUSD-UXHICEINSA-N 2 1 338.499 2.572 20 30 EFEDMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148401 472638492 /nfs/dbraw/zinc/63/84/92/472638492.db2.gz KTXJXMYHNURQNK-GOSISDBHSA-N 2 1 349.482 2.713 20 30 EFEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157363007 472813023 /nfs/dbraw/zinc/81/30/23/472813023.db2.gz XSRPYFGQOUZUAQ-GOSISDBHSA-N 2 1 346.519 2.510 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000106290661 472836624 /nfs/dbraw/zinc/83/66/24/472836624.db2.gz WSOKOPKHCQRAHJ-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780622 472874994 /nfs/dbraw/zinc/87/49/94/472874994.db2.gz LIEUAXYINOHCEN-HNNXBMFYSA-N 2 1 334.895 2.832 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895218 472895080 /nfs/dbraw/zinc/89/50/80/472895080.db2.gz CVGSFDUIIAVMLO-HXUWFJFHSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895218 472895086 /nfs/dbraw/zinc/89/50/86/472895086.db2.gz CVGSFDUIIAVMLO-HXUWFJFHSA-N 2 1 346.515 2.959 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048714860 472902811 /nfs/dbraw/zinc/90/28/11/472902811.db2.gz HWMLOZOUOZNTEV-UHFFFAOYSA-N 2 1 348.494 2.986 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074130178 472948319 /nfs/dbraw/zinc/94/83/19/472948319.db2.gz YYFARBCPUSLQMP-SFHVURJKSA-N 2 1 336.524 2.543 20 30 EFEDMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127380 /nfs/dbraw/zinc/12/73/80/473127380.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 2 1 340.515 2.940 20 30 EFEDMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127385 /nfs/dbraw/zinc/12/73/85/473127385.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 2 1 340.515 2.940 20 30 EFEDMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127386 /nfs/dbraw/zinc/12/73/86/473127386.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 2 1 340.515 2.940 20 30 EFEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000160710915 473164116 /nfs/dbraw/zinc/16/41/16/473164116.db2.gz FROKBAOEFYXQBT-UHFFFAOYSA-N 2 1 330.354 2.796 20 30 EFEDMP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697060 473491571 /nfs/dbraw/zinc/49/15/71/473491571.db2.gz PHYRUFBBZAGJCJ-ZTNFWEORSA-N 2 1 327.472 2.834 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728182 473498883 /nfs/dbraw/zinc/49/88/83/473498883.db2.gz MOGXIJOXOLAPSA-WBVHZDCISA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728182 473498890 /nfs/dbraw/zinc/49/88/90/473498890.db2.gz MOGXIJOXOLAPSA-WBVHZDCISA-N 2 1 340.471 2.739 20 30 EFEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(C#N)c1 ZINC000191464785 473542238 /nfs/dbraw/zinc/54/22/38/473542238.db2.gz VCNIPYOLTGKXAO-UHFFFAOYSA-N 2 1 340.515 2.962 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954871 473557522 /nfs/dbraw/zinc/55/75/22/473557522.db2.gz DLWKNWGDWDHRDG-CABCVRRESA-N 2 1 342.409 2.721 20 30 EFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479714 473566813 /nfs/dbraw/zinc/56/68/13/473566813.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 1 342.487 2.595 20 30 EFEDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115544851 473579538 /nfs/dbraw/zinc/57/95/38/473579538.db2.gz ORBGGJMJUVMDDW-LJQANCHMSA-N 2 1 342.487 2.529 20 30 EFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115544851 473579544 /nfs/dbraw/zinc/57/95/44/473579544.db2.gz ORBGGJMJUVMDDW-LJQANCHMSA-N 2 1 342.487 2.529 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000152956610 473601823 /nfs/dbraw/zinc/60/18/23/473601823.db2.gz GTZABQZPUJTDLV-UHFFFAOYSA-N 2 1 328.504 2.676 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172584507 473649123 /nfs/dbraw/zinc/64/91/23/473649123.db2.gz GXYSMQBMJWVINQ-UHFFFAOYSA-N 2 1 348.535 2.687 20 30 EFEDMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180035837 473783522 /nfs/dbraw/zinc/78/35/22/473783522.db2.gz FQZHPSHWPLVACW-UHFFFAOYSA-N 2 1 337.471 2.921 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270852 473811594 /nfs/dbraw/zinc/81/15/94/473811594.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246270852 473811602 /nfs/dbraw/zinc/81/16/02/473811602.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246270852 473811608 /nfs/dbraw/zinc/81/16/08/473811608.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270852 473811623 /nfs/dbraw/zinc/81/16/23/473811623.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270852 473811629 /nfs/dbraw/zinc/81/16/29/473811629.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270852 473811634 /nfs/dbraw/zinc/81/16/34/473811634.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246270861 473812155 /nfs/dbraw/zinc/81/21/55/473812155.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246270861 473812161 /nfs/dbraw/zinc/81/21/61/473812161.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246270861 473812166 /nfs/dbraw/zinc/81/21/66/473812166.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246270861 473812177 /nfs/dbraw/zinc/81/21/77/473812177.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270861 473812185 /nfs/dbraw/zinc/81/21/85/473812185.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246270861 473812191 /nfs/dbraw/zinc/81/21/91/473812191.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 1 331.504 2.524 20 30 EFEDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269700034 473866969 /nfs/dbraw/zinc/86/69/69/473866969.db2.gz YFZAPVCEQSOTNZ-UHFFFAOYSA-N 2 1 326.488 2.549 20 30 EFEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000263831791 473868089 /nfs/dbraw/zinc/86/80/89/473868089.db2.gz URWMHPWOGRREOH-UHFFFAOYSA-N 2 1 341.499 2.698 20 30 EFEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000263831791 473868093 /nfs/dbraw/zinc/86/80/93/473868093.db2.gz URWMHPWOGRREOH-UHFFFAOYSA-N 2 1 341.499 2.698 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000264080887 473947350 /nfs/dbraw/zinc/94/73/50/473947350.db2.gz HFWNRCMCAUAVMJ-GASCZTMLSA-N 2 1 348.491 2.798 20 30 EFEDMP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106931 473950318 /nfs/dbraw/zinc/95/03/18/473950318.db2.gz PVYNGSGROLVFDS-QWRGUYRKSA-N 2 1 329.275 2.910 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000264147272 473954249 /nfs/dbraw/zinc/95/42/49/473954249.db2.gz YEVDYHSWMARKDJ-HOTGVXAUSA-N 2 1 332.492 2.500 20 30 EFEDMP C=C(C)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000181332590 474027406 /nfs/dbraw/zinc/02/74/06/474027406.db2.gz DALVTZTVSNKZLY-UHFFFAOYSA-N 2 1 329.488 2.584 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622875 474219211 /nfs/dbraw/zinc/21/92/11/474219211.db2.gz VAHXIDVIFXXFSR-IRXDYDNUSA-N 2 1 348.535 2.589 20 30 EFEDMP N#Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828693 474352181 /nfs/dbraw/zinc/35/21/81/474352181.db2.gz CGXIXEILSBJTFH-NHCUHLMSSA-N 2 1 335.451 2.531 20 30 EFEDMP N#Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828696 474352843 /nfs/dbraw/zinc/35/28/43/474352843.db2.gz CGXIXEILSBJTFH-SFTDATJTSA-N 2 1 335.451 2.531 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244224 474419914 /nfs/dbraw/zinc/41/99/14/474419914.db2.gz JQGZZJKUKOMVEE-LJQANCHMSA-N 2 1 345.462 2.557 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244224 474419921 /nfs/dbraw/zinc/41/99/21/474419921.db2.gz JQGZZJKUKOMVEE-LJQANCHMSA-N 2 1 345.462 2.557 20 30 EFEDMP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000266980020 474554665 /nfs/dbraw/zinc/55/46/65/474554665.db2.gz MAYAFNDLRVRVSD-NSHDSACASA-N 2 1 328.382 2.592 20 30 EFEDMP C=CCC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500107 474565457 /nfs/dbraw/zinc/56/54/57/474565457.db2.gz WCWQASHCCOXLCS-QGZVFWFLSA-N 2 1 329.488 2.664 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249411574 474569970 /nfs/dbraw/zinc/56/99/70/474569970.db2.gz FHSLRTLSXFVJIG-FXAWDEMLSA-N 2 1 332.463 2.904 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249411574 474569975 /nfs/dbraw/zinc/56/99/75/474569975.db2.gz FHSLRTLSXFVJIG-FXAWDEMLSA-N 2 1 332.463 2.904 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249466562 474576609 /nfs/dbraw/zinc/57/66/09/474576609.db2.gz SNTXSLBAIVYNHA-PXNSSMCTSA-N 2 1 345.487 2.664 20 30 EFEDMP C[N@@H+](CC(C)(C)CCC#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190319517 474577496 /nfs/dbraw/zinc/57/74/96/474577496.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@H+](CC(C)(C)CCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190319517 474577501 /nfs/dbraw/zinc/57/75/01/474577501.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@@H+](CC(C)(C)CCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190319517 474577505 /nfs/dbraw/zinc/57/75/05/474577505.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CC(C)(C)CCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190319517 474577514 /nfs/dbraw/zinc/57/75/14/474577514.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CC(C)(C)CCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190319517 474577519 /nfs/dbraw/zinc/57/75/19/474577519.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277133333 474578282 /nfs/dbraw/zinc/57/82/82/474578282.db2.gz IMXIBIYHQIUDMD-LJQANCHMSA-N 2 1 337.471 2.875 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277133333 474578286 /nfs/dbraw/zinc/57/82/86/474578286.db2.gz IMXIBIYHQIUDMD-LJQANCHMSA-N 2 1 337.471 2.875 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCc1nccn1CCC ZINC000277232575 474580391 /nfs/dbraw/zinc/58/03/91/474580391.db2.gz OVKOKBAXWRWKAK-QGZVFWFLSA-N 2 1 332.492 2.747 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277232575 474580394 /nfs/dbraw/zinc/58/03/94/474580394.db2.gz OVKOKBAXWRWKAK-QGZVFWFLSA-N 2 1 332.492 2.747 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000271618361 474583236 /nfs/dbraw/zinc/58/32/36/474583236.db2.gz DLTMXGSDPHEUHC-INIZCTEOSA-N 2 1 346.500 2.870 20 30 EFEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267475287 474671342 /nfs/dbraw/zinc/67/13/42/474671342.db2.gz ZEEXZPKTCPJOQT-UHFFFAOYSA-N 2 1 328.460 2.972 20 30 EFEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267475287 474671348 /nfs/dbraw/zinc/67/13/48/474671348.db2.gz ZEEXZPKTCPJOQT-UHFFFAOYSA-N 2 1 328.460 2.972 20 30 EFEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678459 474779104 /nfs/dbraw/zinc/77/91/04/474779104.db2.gz LGAPALUFCZIJHU-NVXWUHKLSA-N 2 1 331.460 2.950 20 30 EFEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678459 474779114 /nfs/dbraw/zinc/77/91/14/474779114.db2.gz LGAPALUFCZIJHU-NVXWUHKLSA-N 2 1 331.460 2.950 20 30 EFEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000279965262 475003244 /nfs/dbraw/zinc/00/32/44/475003244.db2.gz JDLWSWYSZYTRDU-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000279965262 475003250 /nfs/dbraw/zinc/00/32/50/475003250.db2.gz JDLWSWYSZYTRDU-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542100 475072182 /nfs/dbraw/zinc/07/21/82/475072182.db2.gz ARCQWOGUBZZJNT-LJQANCHMSA-N 2 1 341.499 2.519 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542100 475072189 /nfs/dbraw/zinc/07/21/89/475072189.db2.gz ARCQWOGUBZZJNT-LJQANCHMSA-N 2 1 341.499 2.519 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000294951577 475093665 /nfs/dbraw/zinc/09/36/65/475093665.db2.gz IQHIDUQBMVGBRM-MRXNPFEDSA-N 2 1 349.906 2.622 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000294951577 475093676 /nfs/dbraw/zinc/09/36/76/475093676.db2.gz IQHIDUQBMVGBRM-MRXNPFEDSA-N 2 1 349.906 2.622 20 30 EFEDMP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)CC1 ZINC000329689838 475112298 /nfs/dbraw/zinc/11/22/98/475112298.db2.gz CRLCNSJASWCDAV-KRWDZBQOSA-N 2 1 347.507 2.871 20 30 EFEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@H](n3cc[nH+]c3CC)C2)CC1 ZINC000329689838 475112306 /nfs/dbraw/zinc/11/23/06/475112306.db2.gz CRLCNSJASWCDAV-KRWDZBQOSA-N 2 1 347.507 2.871 20 30 EFEDMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCCCC1 ZINC000329905014 475161073 /nfs/dbraw/zinc/16/10/73/475161073.db2.gz JLSCLQSMBJFHAR-MRXNPFEDSA-N 2 1 347.507 2.604 20 30 EFEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059690 475162103 /nfs/dbraw/zinc/16/21/03/475162103.db2.gz YNOKTRNWBULMCL-XJKSGUPXSA-N 2 1 340.874 2.951 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000330098727 475197866 /nfs/dbraw/zinc/19/78/66/475197866.db2.gz ZEISGVWLXVPTNC-KRWDZBQOSA-N 2 1 345.491 2.752 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000330098727 475197869 /nfs/dbraw/zinc/19/78/69/475197869.db2.gz ZEISGVWLXVPTNC-KRWDZBQOSA-N 2 1 345.491 2.752 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000352810954 475645940 /nfs/dbraw/zinc/64/59/40/475645940.db2.gz QPCVGEJMRMAATK-FXAWDEMLSA-N 2 1 341.499 2.795 20 30 EFEDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000340600331 476142462 /nfs/dbraw/zinc/14/24/62/476142462.db2.gz KOJHKIGXLHCVHB-MRXNPFEDSA-N 2 1 342.487 2.939 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000369581471 476426862 /nfs/dbraw/zinc/42/68/62/476426862.db2.gz CKTUSEMUSJQOFS-RBUKOAKNSA-N 2 1 348.535 2.565 20 30 EFEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000364751808 476544270 /nfs/dbraw/zinc/54/42/70/476544270.db2.gz VGQSCSYIIHQIPR-QGZVFWFLSA-N 2 1 346.519 2.525 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000364751808 476544279 /nfs/dbraw/zinc/54/42/79/476544279.db2.gz VGQSCSYIIHQIPR-QGZVFWFLSA-N 2 1 346.519 2.525 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000370207065 476699222 /nfs/dbraw/zinc/69/92/22/476699222.db2.gz GXGXKJDDAHMMOY-HXUWFJFHSA-N 2 1 345.918 2.792 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000370207065 476699231 /nfs/dbraw/zinc/69/92/31/476699231.db2.gz GXGXKJDDAHMMOY-HXUWFJFHSA-N 2 1 345.918 2.792 20 30 EFEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422980542 476877323 /nfs/dbraw/zinc/87/73/23/476877323.db2.gz QFSDDDAHFFNKJX-LESCRADOSA-N 2 1 330.451 2.786 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400367608 476888915 /nfs/dbraw/zinc/88/89/15/476888915.db2.gz SFQUWRMPMRKBLJ-MRXNPFEDSA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400367608 476888919 /nfs/dbraw/zinc/88/89/19/476888919.db2.gz SFQUWRMPMRKBLJ-MRXNPFEDSA-N 2 1 337.508 2.567 20 30 EFEDMP C=CC[C@H]1[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CCCC1(C)C ZINC000446828262 476923210 /nfs/dbraw/zinc/92/32/10/476923210.db2.gz SOPXCNYQZQSDIW-GOSISDBHSA-N 2 1 343.519 2.795 20 30 EFEDMP C=CC[C@H]1[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1(C)C ZINC000446828262 476923217 /nfs/dbraw/zinc/92/32/17/476923217.db2.gz SOPXCNYQZQSDIW-GOSISDBHSA-N 2 1 343.519 2.795 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370708523 476944612 /nfs/dbraw/zinc/94/46/12/476944612.db2.gz QBGPLKUDJBJPFD-GHTZIAJQSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370708523 476944620 /nfs/dbraw/zinc/94/46/20/476944620.db2.gz QBGPLKUDJBJPFD-GHTZIAJQSA-N 2 1 343.515 2.709 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900646 477071360 /nfs/dbraw/zinc/07/13/60/477071360.db2.gz HLIXNAPPWOMIBQ-YLJYHZDGSA-N 2 1 326.488 2.720 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371336179 477252357 /nfs/dbraw/zinc/25/23/57/477252357.db2.gz NYJZRCKZVRUCMW-HXUWFJFHSA-N 2 1 343.515 2.852 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424132551 477302226 /nfs/dbraw/zinc/30/22/26/477302226.db2.gz KWPJQZXEXQVTIW-VQIMIIECSA-N 2 1 342.487 2.698 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138767 477305119 /nfs/dbraw/zinc/30/51/19/477305119.db2.gz UVHDVZLVZLPXIN-QFBILLFUSA-N 2 1 342.487 2.698 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139350 477305414 /nfs/dbraw/zinc/30/54/14/477305414.db2.gz VDJBNPCBCDIDRQ-APWZRJJASA-N 2 1 342.487 2.556 20 30 EFEDMP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160157 477313603 /nfs/dbraw/zinc/31/36/03/477313603.db2.gz TUUPYKDMLMGCTQ-YTQUADARSA-N 2 1 342.487 2.692 20 30 EFEDMP C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673670 477322246 /nfs/dbraw/zinc/32/22/46/477322246.db2.gz ODAWKKKWCWJPQC-HXUWFJFHSA-N 2 1 341.499 2.891 20 30 EFEDMP C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673670 477322252 /nfs/dbraw/zinc/32/22/52/477322252.db2.gz ODAWKKKWCWJPQC-HXUWFJFHSA-N 2 1 341.499 2.891 20 30 EFEDMP C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371468555 477336880 /nfs/dbraw/zinc/33/68/80/477336880.db2.gz BCLQFWSWGLPCTM-CEWLAPEOSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371468555 477336884 /nfs/dbraw/zinc/33/68/84/477336884.db2.gz BCLQFWSWGLPCTM-CEWLAPEOSA-N 2 1 342.483 2.772 20 30 EFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449083416 477429575 /nfs/dbraw/zinc/42/95/75/477429575.db2.gz UBJIEKNDMKUCLY-UHFFFAOYSA-N 2 1 340.515 2.996 20 30 EFEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000459404316 477890228 /nfs/dbraw/zinc/89/02/28/477890228.db2.gz QNYJQBWAZCMBJQ-QGZVFWFLSA-N 2 1 342.462 2.883 20 30 EFEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000459404315 477890661 /nfs/dbraw/zinc/89/06/61/477890661.db2.gz QNYJQBWAZCMBJQ-KRWDZBQOSA-N 2 1 342.462 2.883 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062400 /nfs/dbraw/zinc/06/24/00/478062400.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 2 1 332.517 2.612 20 30 EFEDMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1C#N ZINC000487887237 478083073 /nfs/dbraw/zinc/08/30/73/478083073.db2.gz YFTYUMKNJSBDHM-RTBURBONSA-N 2 1 340.515 2.857 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429527664 478146674 /nfs/dbraw/zinc/14/66/74/478146674.db2.gz KIPAASAHSLCOKC-OALUTQOASA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429527664 478146679 /nfs/dbraw/zinc/14/66/79/478146679.db2.gz KIPAASAHSLCOKC-OALUTQOASA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429527665 478147059 /nfs/dbraw/zinc/14/70/59/478147059.db2.gz KIPAASAHSLCOKC-RBUKOAKNSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429527665 478147064 /nfs/dbraw/zinc/14/70/64/478147064.db2.gz KIPAASAHSLCOKC-RBUKOAKNSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429527663 478147403 /nfs/dbraw/zinc/14/74/03/478147403.db2.gz KIPAASAHSLCOKC-MOPGFXCFSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429527663 478147407 /nfs/dbraw/zinc/14/74/07/478147407.db2.gz KIPAASAHSLCOKC-MOPGFXCFSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000580064254 478353437 /nfs/dbraw/zinc/35/34/37/478353437.db2.gz SCFNBQYZAAEZFG-INIZCTEOSA-N 2 1 338.879 2.628 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000580065177 478353930 /nfs/dbraw/zinc/35/39/30/478353930.db2.gz MUVCSNIXHAFDHE-LJQANCHMSA-N 2 1 332.488 2.673 20 30 EFEDMP C[NH+]1CCN([C@@H](C[NH2+]CC(C)(C)CCC#N)c2cccs2)CC1 ZINC000525180364 478391887 /nfs/dbraw/zinc/39/18/87/478391887.db2.gz YVTDODWDFNNGEY-INIZCTEOSA-N 2 1 334.533 2.956 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718588 478484392 /nfs/dbraw/zinc/48/43/92/478484392.db2.gz YMIJSZGZOUDPLC-IEBWSBKVSA-N 2 1 345.487 2.542 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000582057561 478499476 /nfs/dbraw/zinc/49/94/76/478499476.db2.gz SYBNVAODKWKYDI-INIZCTEOSA-N 2 1 342.405 2.849 20 30 EFEDMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583426643 478850015 /nfs/dbraw/zinc/85/00/15/478850015.db2.gz RIEYAEDSWUWCPU-KRWDZBQOSA-N 2 1 337.471 2.780 20 30 EFEDMP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595904 478918924 /nfs/dbraw/zinc/91/89/24/478918924.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595904 478918931 /nfs/dbraw/zinc/91/89/31/478918931.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595904 478918941 /nfs/dbraw/zinc/91/89/41/478918941.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 2 1 329.488 2.741 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598606971 478923141 /nfs/dbraw/zinc/92/31/41/478923141.db2.gz HBSIKBDGRUMLCY-QRQLOZEOSA-N 2 1 329.488 2.787 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618394 478928199 /nfs/dbraw/zinc/92/81/99/478928199.db2.gz XKJNMYCFSLCLSK-PZJWPPBQSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000598618394 478928202 /nfs/dbraw/zinc/92/82/02/478928202.db2.gz XKJNMYCFSLCLSK-PZJWPPBQSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000598618394 478928211 /nfs/dbraw/zinc/92/82/11/478928211.db2.gz XKJNMYCFSLCLSK-PZJWPPBQSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000598718467 478989982 /nfs/dbraw/zinc/98/99/82/478989982.db2.gz BLOBGMTZPVWREA-OALUTQOASA-N 2 1 329.488 2.789 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963107 479098380 /nfs/dbraw/zinc/09/83/80/479098380.db2.gz BXUGEDALNOUDTO-YADHBBJMSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963107 479098384 /nfs/dbraw/zinc/09/83/84/479098384.db2.gz BXUGEDALNOUDTO-YADHBBJMSA-N 2 1 347.462 2.772 20 30 EFEDMP N#CC1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601963724 479098394 /nfs/dbraw/zinc/09/83/94/479098394.db2.gz FWAKJGFTEXNEPJ-QLOJAFMTSA-N 2 1 327.472 2.543 20 30 EFEDMP N#CC1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601963724 479098400 /nfs/dbraw/zinc/09/84/00/479098400.db2.gz FWAKJGFTEXNEPJ-QLOJAFMTSA-N 2 1 327.472 2.543 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000568412209 479125040 /nfs/dbraw/zinc/12/50/40/479125040.db2.gz OHDQOVXFXXMOFA-KRWDZBQOSA-N 2 1 335.879 2.709 20 30 EFEDMP C[C@@H](CCC#N)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000602462331 479347861 /nfs/dbraw/zinc/34/78/61/479347861.db2.gz BCWJKGUPLAAFRN-IBGZPJMESA-N 2 1 328.504 2.676 20 30 EFEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592006 479413352 /nfs/dbraw/zinc/41/33/52/479413352.db2.gz GHVJVJZOZSNXFI-OALUTQOASA-N 2 1 342.487 2.569 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000577602621 479594533 /nfs/dbraw/zinc/59/45/33/479594533.db2.gz HRJYWEHJMKWPKL-LJQANCHMSA-N 2 1 340.467 2.820 20 30 EFEDMP C=CC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000617779194 480361279 /nfs/dbraw/zinc/36/12/79/480361279.db2.gz WZRRKHFHTCFVIL-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000644532014 480421890 /nfs/dbraw/zinc/42/18/90/480421890.db2.gz QQYJHAPOZKBXSZ-UYAOXDASSA-N 2 1 346.515 2.865 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660598397 482042243 /nfs/dbraw/zinc/04/22/43/482042243.db2.gz YCAHNTQBMFJWSR-GOSISDBHSA-N 2 1 348.535 2.733 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660598398 482042333 /nfs/dbraw/zinc/04/23/33/482042333.db2.gz YCAHNTQBMFJWSR-SFHVURJKSA-N 2 1 348.535 2.733 20 30 EFEDMP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181478158 533820113 /nfs/dbraw/zinc/82/01/13/533820113.db2.gz HYWQKZKHEWTCNU-SFHVURJKSA-N 2 1 340.515 2.987 20 30 EFEDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000181875636 533943684 /nfs/dbraw/zinc/94/36/84/533943684.db2.gz CLUHITXGSRXPJB-UZLBHIALSA-N 2 1 338.499 2.737 20 30 EFEDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000181875636 533943693 /nfs/dbraw/zinc/94/36/93/533943693.db2.gz CLUHITXGSRXPJB-UZLBHIALSA-N 2 1 338.499 2.737 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000171711672 526431991 /nfs/dbraw/zinc/43/19/91/526431991.db2.gz XRNUPYORIYTMPI-UHFFFAOYSA-N 2 1 336.524 2.591 20 30 EFEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158933886 528355983 /nfs/dbraw/zinc/35/59/83/528355983.db2.gz GMCCKTBXGYDNSO-SFHVURJKSA-N 2 1 348.535 2.725 20 30 EFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS[C@@H](CC)C1 ZINC000262047825 535262867 /nfs/dbraw/zinc/26/28/67/535262867.db2.gz ZFKKWWHNKBKCKB-IRXDYDNUSA-N 2 1 340.581 2.900 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005389 535550096 /nfs/dbraw/zinc/55/00/96/535550096.db2.gz REPBEHODDBLLIY-CQSZACIVSA-N 2 1 332.423 2.769 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655688412 546533376 /nfs/dbraw/zinc/53/33/76/546533376.db2.gz ZYYKKIKMUJAHBN-VQTJNVASSA-N 2 1 335.536 2.528 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000760160925 575985378 /nfs/dbraw/zinc/98/53/78/575985378.db2.gz UAWQNPUDISGHDS-HOCLYGCPSA-N 2 1 344.446 2.984 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000763232234 576368527 /nfs/dbraw/zinc/36/85/27/576368527.db2.gz SHPWIVMLNXIRCX-NRFANRHFSA-N 2 1 335.451 2.630 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000763232234 576368530 /nfs/dbraw/zinc/36/85/30/576368530.db2.gz SHPWIVMLNXIRCX-NRFANRHFSA-N 2 1 335.451 2.630 20 30 EFEDMP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000771755510 581239731 /nfs/dbraw/zinc/23/97/31/581239731.db2.gz DKGLWJGLPVRBPS-HXUWFJFHSA-N 2 1 341.499 2.673 20 30 EFEDMP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000771755509 581239837 /nfs/dbraw/zinc/23/98/37/581239837.db2.gz DKGLWJGLPVRBPS-FQEVSTJZSA-N 2 1 341.499 2.673 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001752828012 1251585299 /nfs/dbraw/zinc/58/52/99/1251585299.db2.gz WWENFZZIHNPPDA-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001752828011 1251585583 /nfs/dbraw/zinc/58/55/83/1251585583.db2.gz WWENFZZIHNPPDA-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493467 1252059912 /nfs/dbraw/zinc/05/99/12/1252059912.db2.gz XCJFWZINJAKDAP-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493467 1252059918 /nfs/dbraw/zinc/05/99/18/1252059918.db2.gz XCJFWZINJAKDAP-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493467 1252059927 /nfs/dbraw/zinc/05/99/27/1252059927.db2.gz XCJFWZINJAKDAP-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=C)C)CC1 ZINC001089735537 1252341260 /nfs/dbraw/zinc/34/12/60/1252341260.db2.gz MZRSDPUIGKNIAX-LJQANCHMSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484350180 1252439224 /nfs/dbraw/zinc/43/92/24/1252439224.db2.gz FPVYJVPOJYKTDF-CABCVRRESA-N 2 1 338.883 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332460 1253180449 /nfs/dbraw/zinc/18/04/49/1253180449.db2.gz CGBABADETGRPFE-WMZOPIPTSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995903123 1254825866 /nfs/dbraw/zinc/82/58/66/1254825866.db2.gz JVCRZVSTAUPJMW-JKSUJKDBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995921648 1254843276 /nfs/dbraw/zinc/84/32/76/1254843276.db2.gz XJPSSHIPNLSSLV-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996186726 1255062919 /nfs/dbraw/zinc/06/29/19/1255062919.db2.gz AXJUUEWHRLTHSN-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676069 1255724622 /nfs/dbraw/zinc/72/46/22/1255724622.db2.gz LIZBSHSWXQXQCZ-SJORKVTESA-N 2 1 349.906 2.868 20 30 EFEDMP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098819549 1255734932 /nfs/dbraw/zinc/73/49/32/1255734932.db2.gz ALDOVSNXNKORLD-AZUAARDMSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439303 1255823042 /nfs/dbraw/zinc/82/30/42/1255823042.db2.gz VGVCXSWOYGGREP-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567566 1256157592 /nfs/dbraw/zinc/15/75/92/1256157592.db2.gz ZHXJMQNJIFBICJ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582090 1256179108 /nfs/dbraw/zinc/17/91/08/1256179108.db2.gz WICQOSFMUOTQRE-SFHLNBCPSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107575537 1256183463 /nfs/dbraw/zinc/18/34/63/1256183463.db2.gz CMQUGADRIZGCJW-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107575537 1256183471 /nfs/dbraw/zinc/18/34/71/1256183471.db2.gz CMQUGADRIZGCJW-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198699 /nfs/dbraw/zinc/19/86/99/1256198699.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198707 /nfs/dbraw/zinc/19/87/07/1256198707.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198711 /nfs/dbraw/zinc/19/87/11/1256198711.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616223 1256304072 /nfs/dbraw/zinc/30/40/72/1256304072.db2.gz YEZLHRGNNVAAFD-SJLPKXTDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645236 1256345046 /nfs/dbraw/zinc/34/50/46/1256345046.db2.gz RZDXPOQRHBNLBO-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131931 1257028353 /nfs/dbraw/zinc/02/83/53/1257028353.db2.gz JJLAKRVVJHBEPR-NVXWUHKLSA-N 2 1 330.476 2.553 20 30 EFEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136439 1257037977 /nfs/dbraw/zinc/03/79/77/1257037977.db2.gz GBISEKDWFIBWHF-XLIONFOSSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997185708 1257228908 /nfs/dbraw/zinc/22/89/08/1257228908.db2.gz IKPPCQBHLCMADS-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997203381 1257245952 /nfs/dbraw/zinc/24/59/52/1257245952.db2.gz QJVTVUZWZWQBFA-OAHLLOKOSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997432819 1257579005 /nfs/dbraw/zinc/57/90/05/1257579005.db2.gz BZPZGLSKUGWYSH-WBVHZDCISA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997432819 1257579010 /nfs/dbraw/zinc/57/90/10/1257579010.db2.gz BZPZGLSKUGWYSH-WBVHZDCISA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910827 1257634342 /nfs/dbraw/zinc/63/43/42/1257634342.db2.gz VSMUDKOURSVONL-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997737043 1258327922 /nfs/dbraw/zinc/32/79/22/1258327922.db2.gz YZWJRZUVCWFKOC-MAUKXSAKSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH]cnc32)CC1 ZINC000997748051 1258349424 /nfs/dbraw/zinc/34/94/24/1258349424.db2.gz MDVSTSSSLPYHCY-HOCLYGCPSA-N 2 1 330.476 2.622 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997748837 1258351588 /nfs/dbraw/zinc/35/15/88/1258351588.db2.gz PGCDYKXKEIAIIN-YJBOKZPZSA-N 2 1 344.503 2.547 20 30 EFEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997829568 1258503438 /nfs/dbraw/zinc/50/34/38/1258503438.db2.gz QWKJZHCKTIDRFS-ICSRJNTNSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001485829845 1258566930 /nfs/dbraw/zinc/56/69/30/1258566930.db2.gz TWAODQJAHSGSQM-HNNXBMFYSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997947161 1258820299 /nfs/dbraw/zinc/82/02/99/1258820299.db2.gz AIGNIMDCHZTZER-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997947161 1258820307 /nfs/dbraw/zinc/82/03/07/1258820307.db2.gz AIGNIMDCHZTZER-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997947161 1258820316 /nfs/dbraw/zinc/82/03/16/1258820316.db2.gz AIGNIMDCHZTZER-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998005629 1258934483 /nfs/dbraw/zinc/93/44/83/1258934483.db2.gz HBDXKQSQVKEOGS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005629 1258934486 /nfs/dbraw/zinc/93/44/86/1258934486.db2.gz HBDXKQSQVKEOGS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005629 1258934489 /nfs/dbraw/zinc/93/44/89/1258934489.db2.gz HBDXKQSQVKEOGS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005802 1258935660 /nfs/dbraw/zinc/93/56/60/1258935660.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005802 1258935667 /nfs/dbraw/zinc/93/56/67/1258935667.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005802 1258935675 /nfs/dbraw/zinc/93/56/75/1258935675.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021697 1258973884 /nfs/dbraw/zinc/97/38/84/1258973884.db2.gz HBZPOMDEXLYVMM-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998021697 1258973892 /nfs/dbraw/zinc/97/38/92/1258973892.db2.gz HBZPOMDEXLYVMM-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021697 1258973898 /nfs/dbraw/zinc/97/38/98/1258973898.db2.gz HBZPOMDEXLYVMM-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043769 1259009657 /nfs/dbraw/zinc/00/96/57/1259009657.db2.gz BGHQFQCOFYFDQG-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043769 1259009663 /nfs/dbraw/zinc/00/96/63/1259009663.db2.gz BGHQFQCOFYFDQG-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000998042533 1259012817 /nfs/dbraw/zinc/01/28/17/1259012817.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998042533 1259012822 /nfs/dbraw/zinc/01/28/22/1259012822.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998042533 1259012830 /nfs/dbraw/zinc/01/28/30/1259012830.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101599 1259111476 /nfs/dbraw/zinc/11/14/76/1259111476.db2.gz JAGKAVMCCRAYHZ-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998101599 1259111480 /nfs/dbraw/zinc/11/14/80/1259111480.db2.gz JAGKAVMCCRAYHZ-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102199 1259113295 /nfs/dbraw/zinc/11/32/95/1259113295.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102199 1259113300 /nfs/dbraw/zinc/11/33/00/1259113300.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102199 1259113302 /nfs/dbraw/zinc/11/33/02/1259113302.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870447 1261197043 /nfs/dbraw/zinc/19/70/43/1261197043.db2.gz PLGKTAAOYFWVIQ-FQEVSTJZSA-N 2 1 335.536 2.855 20 30 EFEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC001272879255 1261224509 /nfs/dbraw/zinc/22/45/09/1261224509.db2.gz ORVSBERSLILNGY-RTBURBONSA-N 2 1 336.439 2.624 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902378 1261662459 /nfs/dbraw/zinc/66/24/59/1261662459.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902378 1261662466 /nfs/dbraw/zinc/66/24/66/1261662466.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902378 1261662473 /nfs/dbraw/zinc/66/24/73/1261662473.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006086573 1261682795 /nfs/dbraw/zinc/68/27/95/1261682795.db2.gz IZOBLPDXEYOVKP-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902713 1261690867 /nfs/dbraw/zinc/69/08/67/1261690867.db2.gz WMSYODZVQGGGRK-CADBVGFASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117198 1261791839 /nfs/dbraw/zinc/79/18/39/1261791839.db2.gz TVHDPFFMSACBSP-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117198 1261791842 /nfs/dbraw/zinc/79/18/42/1261791842.db2.gz TVHDPFFMSACBSP-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006120949 1261812889 /nfs/dbraw/zinc/81/28/89/1261812889.db2.gz SRGWSXGIWFRPAT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542742 1263238708 /nfs/dbraw/zinc/23/87/08/1263238708.db2.gz KMLQZTUFLMUCIK-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852068 1263367734 /nfs/dbraw/zinc/36/77/34/1263367734.db2.gz RCSBGMVKTPTAST-OIISXLGYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383672 1263886170 /nfs/dbraw/zinc/88/61/70/1263886170.db2.gz ZMTGZLVGGACSMU-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383672 1263886186 /nfs/dbraw/zinc/88/61/86/1263886186.db2.gz ZMTGZLVGGACSMU-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476011 1263970128 /nfs/dbraw/zinc/97/01/28/1263970128.db2.gz FKJBDSQQQHWFPC-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476011 1263970132 /nfs/dbraw/zinc/97/01/32/1263970132.db2.gz FKJBDSQQQHWFPC-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476011 1263970144 /nfs/dbraw/zinc/97/01/44/1263970144.db2.gz FKJBDSQQQHWFPC-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068774 /nfs/dbraw/zinc/06/87/74/1264068774.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068781 /nfs/dbraw/zinc/06/87/81/1264068781.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068793 /nfs/dbraw/zinc/06/87/93/1264068793.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003016014 1264468400 /nfs/dbraw/zinc/46/84/00/1264468400.db2.gz HRQFANDRTHTMFM-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853536 1264540480 /nfs/dbraw/zinc/54/04/80/1264540480.db2.gz XVHKASOLCZERMY-VAMGGRTRSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854002 1264542688 /nfs/dbraw/zinc/54/26/88/1264542688.db2.gz UEYCYYUBJVGUGY-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854002 1264542696 /nfs/dbraw/zinc/54/26/96/1264542696.db2.gz UEYCYYUBJVGUGY-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733330727 1265173024 /nfs/dbraw/zinc/17/30/24/1265173024.db2.gz KMOPMPUMLPXWQS-NRFANRHFSA-N 2 1 342.483 2.822 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733329459 1265173039 /nfs/dbraw/zinc/17/30/39/1265173039.db2.gz SZDYQFDSVVVNFE-UZLBHIALSA-N 2 1 343.471 2.710 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004370031 1266789004 /nfs/dbraw/zinc/78/90/04/1266789004.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004370031 1266789018 /nfs/dbraw/zinc/78/90/18/1266789018.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004370031 1266789030 /nfs/dbraw/zinc/78/90/30/1266789030.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085224510 1266859836 /nfs/dbraw/zinc/85/98/36/1266859836.db2.gz ISVWWMBNEONTPR-GVDBMIGSSA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001004423962 1266967164 /nfs/dbraw/zinc/96/71/64/1266967164.db2.gz DSNRUTKTDABYNC-QGZVFWFLSA-N 2 1 330.476 2.621 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429755 1266988261 /nfs/dbraw/zinc/98/82/61/1266988261.db2.gz OOEYOEAYIMZGNS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004429755 1266988267 /nfs/dbraw/zinc/98/82/67/1266988267.db2.gz OOEYOEAYIMZGNS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004429755 1266988271 /nfs/dbraw/zinc/98/82/71/1266988271.db2.gz OOEYOEAYIMZGNS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004455912 1267084058 /nfs/dbraw/zinc/08/40/58/1267084058.db2.gz BXYBKLMEOUQHNK-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455912 1267084067 /nfs/dbraw/zinc/08/40/67/1267084067.db2.gz BXYBKLMEOUQHNK-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455912 1267084071 /nfs/dbraw/zinc/08/40/71/1267084071.db2.gz BXYBKLMEOUQHNK-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004456277 1267084213 /nfs/dbraw/zinc/08/42/13/1267084213.db2.gz CVIANYSKJVBILL-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456729 1267085461 /nfs/dbraw/zinc/08/54/61/1267085461.db2.gz HDUFZNHIXOTYQD-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004456729 1267085468 /nfs/dbraw/zinc/08/54/68/1267085468.db2.gz HDUFZNHIXOTYQD-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004456729 1267085471 /nfs/dbraw/zinc/08/54/71/1267085471.db2.gz HDUFZNHIXOTYQD-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004456368 1267085649 /nfs/dbraw/zinc/08/56/49/1267085649.db2.gz FDMVDXGTIGGERJ-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456368 1267085655 /nfs/dbraw/zinc/08/56/55/1267085655.db2.gz FDMVDXGTIGGERJ-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456368 1267085659 /nfs/dbraw/zinc/08/56/59/1267085659.db2.gz FDMVDXGTIGGERJ-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456782 1267085832 /nfs/dbraw/zinc/08/58/32/1267085832.db2.gz HYTJPQKFMRFVAJ-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004465228 1267105734 /nfs/dbraw/zinc/10/57/34/1267105734.db2.gz BEKXTZLJUQQQNB-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478504 1267131581 /nfs/dbraw/zinc/13/15/81/1267131581.db2.gz WHXXBFAKTHBKQJ-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478500 1267132165 /nfs/dbraw/zinc/13/21/65/1267132165.db2.gz WHXXBFAKTHBKQJ-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123412 1267133497 /nfs/dbraw/zinc/13/34/97/1267133497.db2.gz PQZBHXYQAOUZAY-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123412 1267133500 /nfs/dbraw/zinc/13/35/00/1267133500.db2.gz PQZBHXYQAOUZAY-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501186 1267186568 /nfs/dbraw/zinc/18/65/68/1267186568.db2.gz YIDFKTGPVXVARL-WOJBJXKFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004504042 1267191651 /nfs/dbraw/zinc/19/16/51/1267191651.db2.gz ALIRFFUMLNLHMJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154784887 1267207502 /nfs/dbraw/zinc/20/75/02/1267207502.db2.gz OTPQQXZUOHVQOQ-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154784887 1267207509 /nfs/dbraw/zinc/20/75/09/1267207509.db2.gz OTPQQXZUOHVQOQ-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784887 1267207517 /nfs/dbraw/zinc/20/75/17/1267207517.db2.gz OTPQQXZUOHVQOQ-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784887 1267207522 /nfs/dbraw/zinc/20/75/22/1267207522.db2.gz OTPQQXZUOHVQOQ-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004509842 1267208087 /nfs/dbraw/zinc/20/80/87/1267208087.db2.gz ZKSZFAGYMUCPIH-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520956 1267209537 /nfs/dbraw/zinc/20/95/37/1267209537.db2.gz DCWGMFFXGCDNHR-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623859 1267218698 /nfs/dbraw/zinc/21/86/98/1267218698.db2.gz RJPCAPVDZDULIL-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623859 1267218706 /nfs/dbraw/zinc/21/87/06/1267218706.db2.gz RJPCAPVDZDULIL-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623859 1267218713 /nfs/dbraw/zinc/21/87/13/1267218713.db2.gz RJPCAPVDZDULIL-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001085350326 1267227544 /nfs/dbraw/zinc/22/75/44/1267227544.db2.gz BTDSYNYOPAAKSQ-HUUCEWRRSA-N 2 1 338.883 2.776 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001004572086 1267309170 /nfs/dbraw/zinc/30/91/70/1267309170.db2.gz ZCYVKATVNSXOPU-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572086 1267309177 /nfs/dbraw/zinc/30/91/77/1267309177.db2.gz ZCYVKATVNSXOPU-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572086 1267309186 /nfs/dbraw/zinc/30/91/86/1267309186.db2.gz ZCYVKATVNSXOPU-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584858 1267340120 /nfs/dbraw/zinc/34/01/20/1267340120.db2.gz BGQKSYKFBSJRDY-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631661 1267342915 /nfs/dbraw/zinc/34/29/15/1267342915.db2.gz SHLDYTSEWBLMPZ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631661 1267342921 /nfs/dbraw/zinc/34/29/21/1267342921.db2.gz SHLDYTSEWBLMPZ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631661 1267342931 /nfs/dbraw/zinc/34/29/31/1267342931.db2.gz SHLDYTSEWBLMPZ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595431 1267361551 /nfs/dbraw/zinc/36/15/51/1267361551.db2.gz HCROAUGUCKDRQK-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595431 1267361559 /nfs/dbraw/zinc/36/15/59/1267361559.db2.gz HCROAUGUCKDRQK-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595431 1267361568 /nfs/dbraw/zinc/36/15/68/1267361568.db2.gz HCROAUGUCKDRQK-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595163 1267361873 /nfs/dbraw/zinc/36/18/73/1267361873.db2.gz FWLPBFSWDODZIN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595163 1267361883 /nfs/dbraw/zinc/36/18/83/1267361883.db2.gz FWLPBFSWDODZIN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595163 1267361894 /nfs/dbraw/zinc/36/18/94/1267361894.db2.gz FWLPBFSWDODZIN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642402 1267447814 /nfs/dbraw/zinc/44/78/14/1267447814.db2.gz IDTHSQATYLMXTQ-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642402 1267447817 /nfs/dbraw/zinc/44/78/17/1267447817.db2.gz IDTHSQATYLMXTQ-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642402 1267447819 /nfs/dbraw/zinc/44/78/19/1267447819.db2.gz IDTHSQATYLMXTQ-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657895 1267577301 /nfs/dbraw/zinc/57/73/01/1267577301.db2.gz XGZDGXRNAPUZFP-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657895 1267577307 /nfs/dbraw/zinc/57/73/07/1267577307.db2.gz XGZDGXRNAPUZFP-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657895 1267577313 /nfs/dbraw/zinc/57/73/13/1267577313.db2.gz XGZDGXRNAPUZFP-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678254 1267699323 /nfs/dbraw/zinc/69/93/23/1267699323.db2.gz WFBMHTOIRSFWEC-CALCHBBNSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678268 1267699573 /nfs/dbraw/zinc/69/95/73/1267699573.db2.gz WXRDHXYZIYORTR-CALCHBBNSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697665 1267735010 /nfs/dbraw/zinc/73/50/10/1267735010.db2.gz WQLQDMLEOFPPGG-ZCNNSNEGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598710 1267964628 /nfs/dbraw/zinc/96/46/28/1267964628.db2.gz YLQQVQVQQROHLS-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598710 1267964635 /nfs/dbraw/zinc/96/46/35/1267964635.db2.gz YLQQVQVQQROHLS-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598710 1267964642 /nfs/dbraw/zinc/96/46/42/1267964642.db2.gz YLQQVQVQQROHLS-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085648711 1268133624 /nfs/dbraw/zinc/13/36/24/1268133624.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085648711 1268133629 /nfs/dbraw/zinc/13/36/29/1268133629.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085648711 1268133630 /nfs/dbraw/zinc/13/36/30/1268133630.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085648711 1268133633 /nfs/dbraw/zinc/13/36/33/1268133633.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085648711 1268133639 /nfs/dbraw/zinc/13/36/39/1268133639.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742287 1268391011 /nfs/dbraw/zinc/39/10/11/1268391011.db2.gz NEWFGIVZUHTCQO-IBGZPJMESA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085779741 1268495490 /nfs/dbraw/zinc/49/54/90/1268495490.db2.gz BVVKEBWQEGYMTK-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085779741 1268495496 /nfs/dbraw/zinc/49/54/96/1268495496.db2.gz BVVKEBWQEGYMTK-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085779741 1268495499 /nfs/dbraw/zinc/49/54/99/1268495499.db2.gz BVVKEBWQEGYMTK-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085779741 1268495505 /nfs/dbraw/zinc/49/55/05/1268495505.db2.gz BVVKEBWQEGYMTK-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875438 1268898417 /nfs/dbraw/zinc/89/84/17/1268898417.db2.gz ALYWQKCNTVUBFV-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366405 1268949464 /nfs/dbraw/zinc/94/94/64/1268949464.db2.gz WZCUKLNCWLXDFY-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221122 1269051413 /nfs/dbraw/zinc/05/14/13/1269051413.db2.gz UCUSUWXXMSURSM-PKOBYXMFSA-N 2 1 341.540 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917127 1269067694 /nfs/dbraw/zinc/06/76/94/1269067694.db2.gz QSUITPNDFQPJLC-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C)cc1C[NH+](C)C ZINC001171075220 1278460287 /nfs/dbraw/zinc/46/02/87/1278460287.db2.gz RITUBPMQZXXZIS-KRWDZBQOSA-N 2 1 333.476 2.695 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994062 1269447767 /nfs/dbraw/zinc/44/77/67/1269447767.db2.gz AUZOWGASAGFBIW-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994062 1269447774 /nfs/dbraw/zinc/44/77/74/1269447774.db2.gz AUZOWGASAGFBIW-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572338 1269470687 /nfs/dbraw/zinc/47/06/87/1269470687.db2.gz UWHQKZUTOMGTJF-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832467 1270295968 /nfs/dbraw/zinc/29/59/68/1270295968.db2.gz FWPIRSSEFDTUAF-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832467 1270295977 /nfs/dbraw/zinc/29/59/77/1270295977.db2.gz FWPIRSSEFDTUAF-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832467 1270295984 /nfs/dbraw/zinc/29/59/84/1270295984.db2.gz FWPIRSSEFDTUAF-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855011 1270368246 /nfs/dbraw/zinc/36/82/46/1270368246.db2.gz GACHVWFATNSJGQ-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855011 1270368258 /nfs/dbraw/zinc/36/82/58/1270368258.db2.gz GACHVWFATNSJGQ-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899385 1270525764 /nfs/dbraw/zinc/52/57/64/1270525764.db2.gz YGRXNKWEQZHLGN-SFHVURJKSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957104 1270694672 /nfs/dbraw/zinc/69/46/72/1270694672.db2.gz JBYXBLDLLRZLCK-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957104 1270694676 /nfs/dbraw/zinc/69/46/76/1270694676.db2.gz JBYXBLDLLRZLCK-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989962 1270784028 /nfs/dbraw/zinc/78/40/28/1270784028.db2.gz RIJXRBIHDCQQCH-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990797 1270786896 /nfs/dbraw/zinc/78/68/96/1270786896.db2.gz XTULPFUQSMLERQ-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005495512 1270795143 /nfs/dbraw/zinc/79/51/43/1270795143.db2.gz CXSSKBNLOVADEW-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006296218 1270949661 /nfs/dbraw/zinc/94/96/61/1270949661.db2.gz MAIRNGMCZKKMBR-UHFFFAOYSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045826 1270956804 /nfs/dbraw/zinc/95/68/04/1270956804.db2.gz NKEFDANPQZWQNL-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050080 1270965744 /nfs/dbraw/zinc/96/57/44/1270965744.db2.gz FKGJDCCOPPMKAJ-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005519106 1271251288 /nfs/dbraw/zinc/25/12/88/1271251288.db2.gz TVVMRQPPWXZTQC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005519106 1271251291 /nfs/dbraw/zinc/25/12/91/1271251291.db2.gz TVVMRQPPWXZTQC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086390098 1271257091 /nfs/dbraw/zinc/25/70/91/1271257091.db2.gz APEVSWMWDRPYFU-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086390098 1271257097 /nfs/dbraw/zinc/25/70/97/1271257097.db2.gz APEVSWMWDRPYFU-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034250570 1271425624 /nfs/dbraw/zinc/42/56/24/1271425624.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250428 1271426655 /nfs/dbraw/zinc/42/66/55/1271426655.db2.gz QHCVPMRUPHQETK-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367687 1271756046 /nfs/dbraw/zinc/75/60/46/1271756046.db2.gz HEBKDIZFYAPZLJ-AZUAARDMSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367687 1271756054 /nfs/dbraw/zinc/75/60/54/1271756054.db2.gz HEBKDIZFYAPZLJ-AZUAARDMSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367687 1271756062 /nfs/dbraw/zinc/75/60/62/1271756062.db2.gz HEBKDIZFYAPZLJ-AZUAARDMSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366651 1271786282 /nfs/dbraw/zinc/78/62/82/1271786282.db2.gz BZMZLGQBEOUSCP-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)CN1CCCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034366118 1271786469 /nfs/dbraw/zinc/78/64/69/1271786469.db2.gz WXPFBMJBNWVICP-HNNXBMFYSA-N 2 1 339.867 2.678 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445405 1271971312 /nfs/dbraw/zinc/97/13/12/1271971312.db2.gz SLGWAJOPFZVXNQ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489275 1272143013 /nfs/dbraw/zinc/14/30/13/1272143013.db2.gz AVPVXPDHWCJGMA-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489275 1272143020 /nfs/dbraw/zinc/14/30/20/1272143020.db2.gz AVPVXPDHWCJGMA-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536961 1272237321 /nfs/dbraw/zinc/23/73/21/1272237321.db2.gz IXSGSKOMVUAQAL-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001034663407 1272449507 /nfs/dbraw/zinc/44/95/07/1272449507.db2.gz WWEHCPXKNSRRJW-RBSFLKMASA-N 2 1 336.867 2.530 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001005581276 1272495141 /nfs/dbraw/zinc/49/51/41/1272495141.db2.gz KIRLYWWTFQHLRN-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005581276 1272495147 /nfs/dbraw/zinc/49/51/47/1272495147.db2.gz KIRLYWWTFQHLRN-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754318 1272831249 /nfs/dbraw/zinc/83/12/49/1272831249.db2.gz ZPAWUPUZXWCJPI-QBPKDAKJSA-N 2 1 339.911 2.773 20 30 EFEDMP C=CC[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC001169838062 1273189611 /nfs/dbraw/zinc/18/96/11/1273189611.db2.gz KEESREZPARWTIT-CVEARBPZSA-N 2 1 342.443 2.881 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764027 1273466673 /nfs/dbraw/zinc/46/66/73/1273466673.db2.gz BSYRQCAKEIADOM-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836047 1273545391 /nfs/dbraw/zinc/54/53/91/1273545391.db2.gz KODXLKCVHGWNOZ-UFYCRDLUSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836047 1273545394 /nfs/dbraw/zinc/54/53/94/1273545394.db2.gz KODXLKCVHGWNOZ-UFYCRDLUSA-N 2 1 341.499 2.664 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005771756 1273547582 /nfs/dbraw/zinc/54/75/82/1273547582.db2.gz CMDCCECSTHGHJA-QGZVFWFLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184680 1273752575 /nfs/dbraw/zinc/75/25/75/1273752575.db2.gz HFLRBUFOGJQBKJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184680 1273752584 /nfs/dbraw/zinc/75/25/84/1273752584.db2.gz HFLRBUFOGJQBKJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184680 1273752592 /nfs/dbraw/zinc/75/25/92/1273752592.db2.gz HFLRBUFOGJQBKJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035199032 1273766465 /nfs/dbraw/zinc/76/64/65/1273766465.db2.gz ZSGPQJOJWRYTME-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035199032 1273766473 /nfs/dbraw/zinc/76/64/73/1273766473.db2.gz ZSGPQJOJWRYTME-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035199032 1273766481 /nfs/dbraw/zinc/76/64/81/1273766481.db2.gz ZSGPQJOJWRYTME-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035199179 1273766726 /nfs/dbraw/zinc/76/67/26/1273766726.db2.gz FKIMOWPIHLCNFG-UHFFFAOYSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035204038 1273779760 /nfs/dbraw/zinc/77/97/60/1273779760.db2.gz WUZIQLMFQPZVBB-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193567 1273814688 /nfs/dbraw/zinc/81/46/88/1273814688.db2.gz GQMBFAYQJIWTRX-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193703 1273815205 /nfs/dbraw/zinc/81/52/05/1273815205.db2.gz NGVUYWVWWFFQPD-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193703 1273815217 /nfs/dbraw/zinc/81/52/17/1273815217.db2.gz NGVUYWVWWFFQPD-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193703 1273815230 /nfs/dbraw/zinc/81/52/30/1273815230.db2.gz NGVUYWVWWFFQPD-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233786 1273886635 /nfs/dbraw/zinc/88/66/35/1273886635.db2.gz MNFXBRDSMHBXES-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233786 1273886645 /nfs/dbraw/zinc/88/66/45/1273886645.db2.gz MNFXBRDSMHBXES-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233786 1273886654 /nfs/dbraw/zinc/88/66/54/1273886654.db2.gz MNFXBRDSMHBXES-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236769 1273897212 /nfs/dbraw/zinc/89/72/12/1273897212.db2.gz CUBAFOZWDDWPBI-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236769 1273897222 /nfs/dbraw/zinc/89/72/22/1273897222.db2.gz CUBAFOZWDDWPBI-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236769 1273897239 /nfs/dbraw/zinc/89/72/39/1273897239.db2.gz CUBAFOZWDDWPBI-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236841 1273899029 /nfs/dbraw/zinc/89/90/29/1273899029.db2.gz DXTNZWPPDHEXPY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236841 1273899038 /nfs/dbraw/zinc/89/90/38/1273899038.db2.gz DXTNZWPPDHEXPY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236841 1273899045 /nfs/dbraw/zinc/89/90/45/1273899045.db2.gz DXTNZWPPDHEXPY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260534 1273957382 /nfs/dbraw/zinc/95/73/82/1273957382.db2.gz YRQFSZGHPKPXGR-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260534 1273957390 /nfs/dbraw/zinc/95/73/90/1273957390.db2.gz YRQFSZGHPKPXGR-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443081 1274282833 /nfs/dbraw/zinc/28/28/33/1274282833.db2.gz VCLKUAQHVSXBDW-SQNIBIBYSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707262 1274387370 /nfs/dbraw/zinc/38/73/70/1274387370.db2.gz OALUNYJBTJESDE-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035708912 1274388618 /nfs/dbraw/zinc/38/86/18/1274388618.db2.gz MXYONJIQNPOTBN-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709492 1274389778 /nfs/dbraw/zinc/38/97/78/1274389778.db2.gz XGMZPVIRXSOJLA-MRXNPFEDSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720168 1274406393 /nfs/dbraw/zinc/40/63/93/1274406393.db2.gz HEGTYCMSUMGSEZ-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035808298 1274536496 /nfs/dbraw/zinc/53/64/96/1274536496.db2.gz UXBLPLRIMQGUEE-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035812199 1274543820 /nfs/dbraw/zinc/54/38/20/1274543820.db2.gz MWHCXGLPYCMILI-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814988 1274549227 /nfs/dbraw/zinc/54/92/27/1274549227.db2.gz XCAVTEXRQGYIOY-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837791 1274575126 /nfs/dbraw/zinc/57/51/26/1274575126.db2.gz MXLKIXLAJJEAKP-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035857203 1274605357 /nfs/dbraw/zinc/60/53/57/1274605357.db2.gz JRERECJIGKMPOR-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846445 1274716242 /nfs/dbraw/zinc/71/62/42/1274716242.db2.gz KJGCDESBOAZFKZ-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846445 1274716251 /nfs/dbraw/zinc/71/62/51/1274716251.db2.gz KJGCDESBOAZFKZ-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982626 1274942722 /nfs/dbraw/zinc/94/27/22/1274942722.db2.gz LQMQFQOGLHRWBD-SQNIBIBYSA-N 2 1 333.520 2.774 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547516 1275112676 /nfs/dbraw/zinc/11/26/76/1275112676.db2.gz XIHKHSMQJZYXIF-ICSRJNTNSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563251 1275187463 /nfs/dbraw/zinc/18/74/63/1275187463.db2.gz MYNRKUJLNNPDRF-HBFSDRIKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567518 1275218178 /nfs/dbraw/zinc/21/81/78/1275218178.db2.gz UCWJUKMCZHFBBP-ICSRJNTNSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036202813 1275219609 /nfs/dbraw/zinc/21/96/09/1275219609.db2.gz KVSXTWXMXFHTER-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112568106 1275221891 /nfs/dbraw/zinc/22/18/91/1275221891.db2.gz YENXBUGOWHHZRY-BJLQDIEVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036209576 1275230008 /nfs/dbraw/zinc/23/00/08/1275230008.db2.gz SUULASQGDGQGNK-HIFRSBDPSA-N 2 1 338.883 2.586 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112585913 1275309701 /nfs/dbraw/zinc/30/97/01/1275309701.db2.gz YTRITQGVXSQFHW-BJLQDIEVSA-N 2 1 333.520 2.655 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855127 1276110662 /nfs/dbraw/zinc/11/06/62/1276110662.db2.gz LJMIREVJXATSBT-RBUKOAKNSA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864901 1276139708 /nfs/dbraw/zinc/13/97/08/1276139708.db2.gz ISEXSRDTNXRDQM-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008319 1276474385 /nfs/dbraw/zinc/47/43/85/1276474385.db2.gz NCGCLOBAGRFEFU-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008319 1276474388 /nfs/dbraw/zinc/47/43/88/1276474388.db2.gz NCGCLOBAGRFEFU-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871301 1276542727 /nfs/dbraw/zinc/54/27/27/1276542727.db2.gz OCNWOGZSBGENRX-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871301 1276542729 /nfs/dbraw/zinc/54/27/29/1276542729.db2.gz OCNWOGZSBGENRX-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818962128 1276551638 /nfs/dbraw/zinc/55/16/38/1276551638.db2.gz YVIPWGWLCVZANM-QKLQHJQFSA-N 2 1 329.488 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871149 1276556098 /nfs/dbraw/zinc/55/60/98/1276556098.db2.gz KXWOIQXRTHECPS-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057418 1276678050 /nfs/dbraw/zinc/67/80/50/1276678050.db2.gz QGPXCVJONXFVMM-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057418 1276678051 /nfs/dbraw/zinc/67/80/51/1276678051.db2.gz QGPXCVJONXFVMM-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174904580 1287243378 /nfs/dbraw/zinc/24/33/78/1287243378.db2.gz COMSHKTZWVPRCX-PMPSAXMXSA-N 2 1 329.916 2.734 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859675 1276790039 /nfs/dbraw/zinc/79/00/39/1276790039.db2.gz ZUKKTVORAZPVOT-ZRNYENFQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859673 1276790679 /nfs/dbraw/zinc/79/06/79/1276790679.db2.gz ZUKKTVORAZPVOT-VNTMZGSJSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146903 1277088786 /nfs/dbraw/zinc/08/87/86/1277088786.db2.gz WFYJEEDEJPNWIQ-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000821213698 1277486258 /nfs/dbraw/zinc/48/62/58/1277486258.db2.gz OANDRRJOPWYMKD-UHFFFAOYSA-N 2 1 346.425 2.812 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355724 1277643627 /nfs/dbraw/zinc/64/36/27/1277643627.db2.gz KPSBTAGVMWWUGI-LJQANCHMSA-N 2 1 343.515 2.660 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001113355724 1277643635 /nfs/dbraw/zinc/64/36/35/1277643635.db2.gz KPSBTAGVMWWUGI-LJQANCHMSA-N 2 1 343.515 2.660 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113418913 1277788415 /nfs/dbraw/zinc/78/84/15/1277788415.db2.gz IVGJQDAQAXAKMQ-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113418913 1277788422 /nfs/dbraw/zinc/78/84/22/1277788422.db2.gz IVGJQDAQAXAKMQ-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262656 1280066949 /nfs/dbraw/zinc/06/69/49/1280066949.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 2 1 335.536 2.876 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001114262656 1280066959 /nfs/dbraw/zinc/06/69/59/1280066959.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 2 1 335.536 2.876 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001114262656 1280066964 /nfs/dbraw/zinc/06/69/64/1280066964.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 2 1 335.536 2.876 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001114285733 1280120454 /nfs/dbraw/zinc/12/04/54/1280120454.db2.gz SJESVKQYTPPIQP-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001114285733 1280120457 /nfs/dbraw/zinc/12/04/57/1280120457.db2.gz SJESVKQYTPPIQP-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001114285733 1280120459 /nfs/dbraw/zinc/12/04/59/1280120459.db2.gz SJESVKQYTPPIQP-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308305 1281193601 /nfs/dbraw/zinc/19/36/01/1281193601.db2.gz QNMBJUNBWDZBAS-KAGICYHLSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308305 1281193603 /nfs/dbraw/zinc/19/36/03/1281193603.db2.gz QNMBJUNBWDZBAS-KAGICYHLSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171308721 1281194103 /nfs/dbraw/zinc/19/41/03/1281194103.db2.gz VNWZURKPZAPLRF-WMZOPIPTSA-N 2 1 347.528 2.610 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171308721 1281194108 /nfs/dbraw/zinc/19/41/08/1281194108.db2.gz VNWZURKPZAPLRF-WMZOPIPTSA-N 2 1 347.528 2.610 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170783758 1287479479 /nfs/dbraw/zinc/47/94/79/1287479479.db2.gz GQBCRQZPYYLVKF-MSOLQXFVSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658271 1281230293 /nfs/dbraw/zinc/23/02/93/1281230293.db2.gz NWAPVKRMXUSMQJ-DLBZAZTESA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716590 1281242953 /nfs/dbraw/zinc/24/29/53/1281242953.db2.gz ITLMBAOISIVFGJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716590 1281242961 /nfs/dbraw/zinc/24/29/61/1281242961.db2.gz ITLMBAOISIVFGJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716590 1281242973 /nfs/dbraw/zinc/24/29/73/1281242973.db2.gz ITLMBAOISIVFGJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147717576 1281245690 /nfs/dbraw/zinc/24/56/90/1281245690.db2.gz ZSDSDIFPUBVKNL-RBUKOAKNSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717576 1281245696 /nfs/dbraw/zinc/24/56/96/1281245696.db2.gz ZSDSDIFPUBVKNL-RBUKOAKNSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717576 1281245700 /nfs/dbraw/zinc/24/57/00/1281245700.db2.gz ZSDSDIFPUBVKNL-RBUKOAKNSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774529 1281258274 /nfs/dbraw/zinc/25/82/74/1281258274.db2.gz XNHGXJBZIKCUAZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774529 1281258280 /nfs/dbraw/zinc/25/82/80/1281258280.db2.gz XNHGXJBZIKCUAZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001147774529 1281258288 /nfs/dbraw/zinc/25/82/88/1281258288.db2.gz XNHGXJBZIKCUAZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147749645 1281265313 /nfs/dbraw/zinc/26/53/13/1281265313.db2.gz ZUBAGBFWYVQGIR-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852050 1281302297 /nfs/dbraw/zinc/30/22/97/1281302297.db2.gz SYALKCHKTBXDBX-MRXNPFEDSA-N 2 1 338.455 2.837 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175566461 1287487514 /nfs/dbraw/zinc/48/75/14/1287487514.db2.gz UHTSKWIWRKTMEH-QGZVFWFLSA-N 2 1 332.492 2.685 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175566460 1287487940 /nfs/dbraw/zinc/48/79/40/1287487940.db2.gz UHTSKWIWRKTMEH-KRWDZBQOSA-N 2 1 332.492 2.685 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147841441 1281313820 /nfs/dbraw/zinc/31/38/20/1281313820.db2.gz LJCWIKMCTUTACH-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841441 1281313831 /nfs/dbraw/zinc/31/38/31/1281313831.db2.gz LJCWIKMCTUTACH-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841441 1281313845 /nfs/dbraw/zinc/31/38/45/1281313845.db2.gz LJCWIKMCTUTACH-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C/C(=[NH+]\COC)n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525129 1281325095 /nfs/dbraw/zinc/32/50/95/1281325095.db2.gz GTIRHDDTAWDVOO-LSDHQDQOSA-N 2 1 340.471 2.643 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020997 1287489360 /nfs/dbraw/zinc/48/93/60/1287489360.db2.gz KVRWXRIGQJBTRQ-JKSUJKDBSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391303 1281520094 /nfs/dbraw/zinc/52/00/94/1281520094.db2.gz RNGBYNUIOFIUDC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445025 1281574057 /nfs/dbraw/zinc/57/40/57/1281574057.db2.gz JCJWGGAGFMYAHK-QGZVFWFLSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445025 1281574063 /nfs/dbraw/zinc/57/40/63/1281574063.db2.gz JCJWGGAGFMYAHK-QGZVFWFLSA-N 2 1 344.503 2.861 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604610 1281646756 /nfs/dbraw/zinc/64/67/56/1281646756.db2.gz IVMOQRYOGNZUME-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604610 1281646765 /nfs/dbraw/zinc/64/67/65/1281646765.db2.gz IVMOQRYOGNZUME-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604610 1281646775 /nfs/dbraw/zinc/64/67/75/1281646775.db2.gz IVMOQRYOGNZUME-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605749 1281650146 /nfs/dbraw/zinc/65/01/46/1281650146.db2.gz TZTTYPBGXNTMCN-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148612244 1281654247 /nfs/dbraw/zinc/65/42/47/1281654247.db2.gz XUMQLXZVLKIREC-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148612244 1281654255 /nfs/dbraw/zinc/65/42/55/1281654255.db2.gz XUMQLXZVLKIREC-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148612244 1281654265 /nfs/dbraw/zinc/65/42/65/1281654265.db2.gz XUMQLXZVLKIREC-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001148690209 1281709692 /nfs/dbraw/zinc/70/96/92/1281709692.db2.gz DETZVWWVNQIKQT-NRFANRHFSA-N 2 1 347.547 2.977 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001148690209 1281709700 /nfs/dbraw/zinc/70/97/00/1281709700.db2.gz DETZVWWVNQIKQT-NRFANRHFSA-N 2 1 347.547 2.977 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001148690209 1281709705 /nfs/dbraw/zinc/70/97/05/1281709705.db2.gz DETZVWWVNQIKQT-NRFANRHFSA-N 2 1 347.547 2.977 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cn3ccnc3C)C2)C1 ZINC001148754790 1281748875 /nfs/dbraw/zinc/74/88/75/1281748875.db2.gz GRBWNHYNTVPBTD-UHFFFAOYSA-N 2 1 332.492 2.696 20 30 EFEDMP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754790 1281748883 /nfs/dbraw/zinc/74/88/83/1281748883.db2.gz GRBWNHYNTVPBTD-UHFFFAOYSA-N 2 1 332.492 2.696 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754790 1281748890 /nfs/dbraw/zinc/74/88/90/1281748890.db2.gz GRBWNHYNTVPBTD-UHFFFAOYSA-N 2 1 332.492 2.696 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827921 1281756220 /nfs/dbraw/zinc/75/62/20/1281756220.db2.gz RNNUJHDAQFOCHF-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925440 1281944135 /nfs/dbraw/zinc/94/41/35/1281944135.db2.gz WWEMMTRUVPWHPO-GBESFXJTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926230 1281945707 /nfs/dbraw/zinc/94/57/07/1281945707.db2.gz SJFDZDPOWIPIFQ-MOPGFXCFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938647 1281964459 /nfs/dbraw/zinc/96/44/59/1281964459.db2.gz WTBQOSCBKYERMB-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942109 1281971381 /nfs/dbraw/zinc/97/13/81/1281971381.db2.gz JBDXLBAVVYKYJG-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932349 1282003126 /nfs/dbraw/zinc/00/31/26/1282003126.db2.gz IEQYWWPMEPFDMP-QGZVFWFLSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952832 1282015987 /nfs/dbraw/zinc/01/59/87/1282015987.db2.gz RLFJHKVBADIHLY-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086955968 1282024650 /nfs/dbraw/zinc/02/46/50/1282024650.db2.gz ARRDTTPPESDQIW-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000809591255 1282327464 /nfs/dbraw/zinc/32/74/64/1282327464.db2.gz CTDXVPIIAJLLAW-UHFFFAOYSA-N 2 1 325.500 2.658 20 30 EFEDMP C#Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000809602671 1282338621 /nfs/dbraw/zinc/33/86/21/1282338621.db2.gz VISBUBFSOUNWPL-IBGZPJMESA-N 2 1 339.508 2.808 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071244 1282369586 /nfs/dbraw/zinc/36/95/86/1282369586.db2.gz MUHGWXGJIWRZFX-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092189776 1282448799 /nfs/dbraw/zinc/44/87/99/1282448799.db2.gz JHOICJUQFGGVNW-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189776 1282448803 /nfs/dbraw/zinc/44/88/03/1282448803.db2.gz JHOICJUQFGGVNW-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189776 1282448808 /nfs/dbraw/zinc/44/88/08/1282448808.db2.gz JHOICJUQFGGVNW-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302901 1282550090 /nfs/dbraw/zinc/55/00/90/1282550090.db2.gz FFAACRUEIRTLDH-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304318 1282550613 /nfs/dbraw/zinc/55/06/13/1282550613.db2.gz GOUNEFGPCMNSSY-SBHAEUEKSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304318 1282550621 /nfs/dbraw/zinc/55/06/21/1282550621.db2.gz GOUNEFGPCMNSSY-SBHAEUEKSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304426 1282550806 /nfs/dbraw/zinc/55/08/06/1282550806.db2.gz JICFTUNVDZHLQP-DYXWJJEUSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304426 1282550815 /nfs/dbraw/zinc/55/08/15/1282550815.db2.gz JICFTUNVDZHLQP-DYXWJJEUSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129095 1283013177 /nfs/dbraw/zinc/01/31/77/1283013177.db2.gz SAJDLJAXGAKFBT-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000810217435 1283045225 /nfs/dbraw/zinc/04/52/25/1283045225.db2.gz DJPTWJUPVZUFCA-AZUAARDMSA-N 2 1 325.456 2.779 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906734 1283111718 /nfs/dbraw/zinc/11/17/18/1283111718.db2.gz DZSKBTHWZPNSLC-DJIMGWMZSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906734 1283111722 /nfs/dbraw/zinc/11/17/22/1283111722.db2.gz DZSKBTHWZPNSLC-DJIMGWMZSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906734 1283111725 /nfs/dbraw/zinc/11/17/25/1283111725.db2.gz DZSKBTHWZPNSLC-DJIMGWMZSA-N 2 1 341.927 2.545 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183308 1283120084 /nfs/dbraw/zinc/12/00/84/1283120084.db2.gz MSNZPLUDTIXWNM-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183308 1283120094 /nfs/dbraw/zinc/12/00/94/1283120094.db2.gz MSNZPLUDTIXWNM-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554769 1283125731 /nfs/dbraw/zinc/12/57/31/1283125731.db2.gz NZFCUJHEHIZFPW-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554769 1283125736 /nfs/dbraw/zinc/12/57/36/1283125736.db2.gz NZFCUJHEHIZFPW-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754287 1283419024 /nfs/dbraw/zinc/41/90/24/1283419024.db2.gz DIOPFNDXHCWDCI-APWZRJJASA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754432 1283421658 /nfs/dbraw/zinc/42/16/58/1283421658.db2.gz FYTSHCFOLVUDGS-LPHOPBHVSA-N 2 1 338.455 2.755 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419993 1283513003 /nfs/dbraw/zinc/51/30/03/1283513003.db2.gz LKISORJQMVJKLJ-RTBURBONSA-N 2 1 335.536 2.881 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@@H]21 ZINC001036779221 1283607557 /nfs/dbraw/zinc/60/75/57/1283607557.db2.gz GVHYQGSQDOHBGY-QUCCMNQESA-N 2 1 341.499 2.513 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176022993 1287659247 /nfs/dbraw/zinc/65/92/47/1287659247.db2.gz FEEGELCVLICBMI-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132487181 1283701190 /nfs/dbraw/zinc/70/11/90/1283701190.db2.gz RULPOPFUSAFIJW-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132487181 1283701202 /nfs/dbraw/zinc/70/12/02/1283701202.db2.gz RULPOPFUSAFIJW-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001093369533 1283800734 /nfs/dbraw/zinc/80/07/34/1283800734.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093369533 1283800746 /nfs/dbraw/zinc/80/07/46/1283800746.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093369533 1283800753 /nfs/dbraw/zinc/80/07/53/1283800753.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377052 1283829060 /nfs/dbraw/zinc/82/90/60/1283829060.db2.gz FQBGYIZHZIBYIL-RTBURBONSA-N 2 1 347.547 2.852 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381756 1283847741 /nfs/dbraw/zinc/84/77/41/1283847741.db2.gz UCNOAQISMRPVDD-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381756 1283847750 /nfs/dbraw/zinc/84/77/50/1283847750.db2.gz UCNOAQISMRPVDD-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381756 1283847760 /nfs/dbraw/zinc/84/77/60/1283847760.db2.gz UCNOAQISMRPVDD-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382605 1283852164 /nfs/dbraw/zinc/85/21/64/1283852164.db2.gz BHQCNHPJXMGNCS-FQEVSTJZSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000815652788 1287671820 /nfs/dbraw/zinc/67/18/20/1287671820.db2.gz SYTKRTZNWZFOHO-IAGOWNOFSA-N 2 1 337.508 2.757 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000815652788 1287671827 /nfs/dbraw/zinc/67/18/27/1287671827.db2.gz SYTKRTZNWZFOHO-IAGOWNOFSA-N 2 1 337.508 2.757 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833028 1284138930 /nfs/dbraw/zinc/13/89/30/1284138930.db2.gz MXBAPBNXKQJHOH-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833028 1284138933 /nfs/dbraw/zinc/13/89/33/1284138933.db2.gz MXBAPBNXKQJHOH-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833027 1284139213 /nfs/dbraw/zinc/13/92/13/1284139213.db2.gz MXBAPBNXKQJHOH-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833027 1284139219 /nfs/dbraw/zinc/13/92/19/1284139219.db2.gz MXBAPBNXKQJHOH-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842185 1284242035 /nfs/dbraw/zinc/24/20/35/1284242035.db2.gz LJEAMIXLLKDJGH-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941928 1284497788 /nfs/dbraw/zinc/49/77/88/1284497788.db2.gz SPAHPOPAUDKANE-ROUUACIJSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011371 1284653856 /nfs/dbraw/zinc/65/38/56/1284653856.db2.gz JAIRYHMTISVKMN-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012439 1284655401 /nfs/dbraw/zinc/65/54/01/1284655401.db2.gz QZWAICLMEDPFQZ-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165517 1284922329 /nfs/dbraw/zinc/92/23/29/1284922329.db2.gz IJRITNCYWOSTQS-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036639 /nfs/dbraw/zinc/03/66/39/1285036639.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036649 /nfs/dbraw/zinc/03/66/49/1285036649.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036659 /nfs/dbraw/zinc/03/66/59/1285036659.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434116 1285079102 /nfs/dbraw/zinc/07/91/02/1285079102.db2.gz TUWVOEYSYIUPOF-MBOZVWFJSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434116 1285079112 /nfs/dbraw/zinc/07/91/12/1285079112.db2.gz TUWVOEYSYIUPOF-MBOZVWFJSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361029 1285260419 /nfs/dbraw/zinc/26/04/19/1285260419.db2.gz RKGKBRSGBNIKEE-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361029 1285260426 /nfs/dbraw/zinc/26/04/26/1285260426.db2.gz RKGKBRSGBNIKEE-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001133392826 1285334146 /nfs/dbraw/zinc/33/41/46/1285334146.db2.gz PFYBRAHWIIQVPY-SFHVURJKSA-N 2 1 349.906 2.929 20 30 EFEDMP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001133392964 1285336347 /nfs/dbraw/zinc/33/63/47/1285336347.db2.gz VQQFGXUIMOIDQT-SFHVURJKSA-N 2 1 349.906 2.929 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133403959 1285356248 /nfs/dbraw/zinc/35/62/48/1285356248.db2.gz RJUUVWYTGZTAIK-MAUKXSAKSA-N 2 1 349.906 2.642 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902140 1285380115 /nfs/dbraw/zinc/38/01/15/1285380115.db2.gz FTIDTFXQGIFPEI-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160167 1285437576 /nfs/dbraw/zinc/43/75/76/1285437576.db2.gz BRXDZPAMFZMOMP-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160167 1285437579 /nfs/dbraw/zinc/43/75/79/1285437579.db2.gz BRXDZPAMFZMOMP-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160393 1285439994 /nfs/dbraw/zinc/43/99/94/1285439994.db2.gz MQRVMSQNVJHNET-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160393 1285440011 /nfs/dbraw/zinc/44/00/11/1285440011.db2.gz MQRVMSQNVJHNET-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629280 1285661342 /nfs/dbraw/zinc/66/13/42/1285661342.db2.gz JWDGIKLBGVBLFW-OAHLLOKOSA-N 2 1 336.480 2.581 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629117 1285661516 /nfs/dbraw/zinc/66/15/16/1285661516.db2.gz INKULAQBPVCILM-HNNXBMFYSA-N 2 1 336.480 2.581 20 30 EFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172297183 1286111431 /nfs/dbraw/zinc/11/14/31/1286111431.db2.gz BVYZBCYAXGLWRX-OXQOHEQNSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172297183 1286111437 /nfs/dbraw/zinc/11/14/37/1286111437.db2.gz BVYZBCYAXGLWRX-OXQOHEQNSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001172482882 1286145181 /nfs/dbraw/zinc/14/51/81/1286145181.db2.gz ARKWNRBZIKHHNH-IHPCNDPISA-N 2 1 332.536 2.997 20 30 EFEDMP C[C@@H](CCCC#N)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172484792 1286145709 /nfs/dbraw/zinc/14/57/09/1286145709.db2.gz IKRPPKYOXOJRGT-INIZCTEOSA-N 2 1 340.512 2.895 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742343 1286524621 /nfs/dbraw/zinc/52/46/21/1286524621.db2.gz LEIMEVYKKGRYSE-HOTGVXAUSA-N 2 1 329.916 2.876 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742345 1286524790 /nfs/dbraw/zinc/52/47/90/1286524790.db2.gz LEIMEVYKKGRYSE-HZPDHXFCSA-N 2 1 329.916 2.876 20 30 EFEDMP C=CCOC1CCC([N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526677 /nfs/dbraw/zinc/52/66/77/1286526677.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 1 341.499 2.959 20 30 EFEDMP CC(C)N(C)Cc1nnc2n1CCC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529755 /nfs/dbraw/zinc/52/97/55/1286529755.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 1 344.507 2.796 20 30 EFEDMP CC(C)N(C)Cc1nnc2n1CCC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529756 /nfs/dbraw/zinc/52/97/56/1286529756.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 1 344.507 2.796 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086721318 1286594810 /nfs/dbraw/zinc/59/48/10/1286594810.db2.gz RVFALKUQHROBFK-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086721318 1286594814 /nfs/dbraw/zinc/59/48/14/1286594814.db2.gz RVFALKUQHROBFK-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179394970 1289119818 /nfs/dbraw/zinc/11/98/18/1289119818.db2.gz ATXXACOIHRISDK-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396151 1289121305 /nfs/dbraw/zinc/12/13/05/1289121305.db2.gz YYSTYYHGFNEYKJ-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728397 1312671186 /nfs/dbraw/zinc/67/11/86/1312671186.db2.gz QRMVMVQSQJXSLX-JKSUJKDBSA-N 2 1 339.911 2.632 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754189 1288120424 /nfs/dbraw/zinc/12/04/24/1288120424.db2.gz SSAMROJRJKMLFB-QGZVFWFLSA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759843 1288122804 /nfs/dbraw/zinc/12/28/04/1288122804.db2.gz MFTLWSYZOHFHPJ-IEBWSBKVSA-N 2 1 329.488 2.577 20 30 EFEDMP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692036 1288278582 /nfs/dbraw/zinc/27/85/82/1288278582.db2.gz CWJYMORUPFAICF-ROUUACIJSA-N 2 1 341.540 2.552 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784738 1288367793 /nfs/dbraw/zinc/36/77/93/1288367793.db2.gz MBJOTHNVUHPPLY-HZPDHXFCSA-N 2 1 341.459 2.720 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317426 1288385440 /nfs/dbraw/zinc/38/54/40/1288385440.db2.gz WIBYGQYINDCZHK-HXUWFJFHSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784872 1288393611 /nfs/dbraw/zinc/39/36/11/1288393611.db2.gz YYHGHKDSISQIDB-YQVWRLOYSA-N 2 1 333.520 2.844 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335832 1288397043 /nfs/dbraw/zinc/39/70/43/1288397043.db2.gz MKJLTQKJAPSGFN-HXUWFJFHSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001177348162 1288413220 /nfs/dbraw/zinc/41/32/20/1288413220.db2.gz AVAYUGUFZITVED-VQTJNVASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416248 1288424783 /nfs/dbraw/zinc/42/47/83/1288424783.db2.gz XMMBDUDNESPUNS-IEBWSBKVSA-N 2 1 335.536 2.759 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440578 1288442438 /nfs/dbraw/zinc/44/24/38/1288442438.db2.gz LVXPZTWCAXJYTQ-WOJBJXKFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177485063 1288445762 /nfs/dbraw/zinc/44/57/62/1288445762.db2.gz QAXRXUISBQRTEZ-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353310 1302763302 /nfs/dbraw/zinc/76/33/02/1302763302.db2.gz PPJXWMBORMBPBI-XDNAFOTISA-N 2 1 341.515 2.683 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)cc1 ZINC001170875352 1288707982 /nfs/dbraw/zinc/70/79/82/1288707982.db2.gz VWFSLWAUWMQBHW-QRVBRYPASA-N 2 1 343.471 2.573 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456624 1305221508 /nfs/dbraw/zinc/22/15/08/1305221508.db2.gz XXXPRIBASSDNJG-BWTSREIZSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483891 1288800761 /nfs/dbraw/zinc/80/07/61/1288800761.db2.gz JNBVFMRXZDYJPG-IRXDYDNUSA-N 2 1 341.927 2.880 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001178722910 1288867598 /nfs/dbraw/zinc/86/75/98/1288867598.db2.gz VAHFCFWGCLWCJH-IBGZPJMESA-N 2 1 335.536 2.786 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001178722910 1288867601 /nfs/dbraw/zinc/86/76/01/1288867601.db2.gz VAHFCFWGCLWCJH-IBGZPJMESA-N 2 1 335.536 2.786 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001179929455 1289311749 /nfs/dbraw/zinc/31/17/49/1289311749.db2.gz FANURNBRGRHBQQ-UHFFFAOYSA-N 2 1 341.459 2.723 20 30 EFEDMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180124415 1289427344 /nfs/dbraw/zinc/42/73/44/1289427344.db2.gz VMAYAVKHRMCURM-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467741 1289799200 /nfs/dbraw/zinc/79/92/00/1289799200.db2.gz DHLWRDMATNLHET-LVCYWYKZSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441144 1289806930 /nfs/dbraw/zinc/80/69/30/1289806930.db2.gz MJDGMKAMSHHHHP-WSTZPKSXSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518058 1289851572 /nfs/dbraw/zinc/85/15/72/1289851572.db2.gz NXMCCKUWIRZTMO-AJYBTWMASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720942 1289916109 /nfs/dbraw/zinc/91/61/09/1289916109.db2.gz VBYHMRAYVQAQQD-WSTZPKSXSA-N 2 1 335.536 2.615 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001181763764 1289932311 /nfs/dbraw/zinc/93/23/11/1289932311.db2.gz KADXFPMDQLOWIU-LVCYWYKZSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001181763764 1289932324 /nfs/dbraw/zinc/93/23/24/1289932324.db2.gz KADXFPMDQLOWIU-LVCYWYKZSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016380024 1312758498 /nfs/dbraw/zinc/75/84/98/1312758498.db2.gz BXMUXXDODWLIKH-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183255125 1290320937 /nfs/dbraw/zinc/32/09/37/1290320937.db2.gz JURNEKNLZGCZFE-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183835455 1290392603 /nfs/dbraw/zinc/39/26/03/1290392603.db2.gz KHCUOBNRPKBDEA-OAHLLOKOSA-N 2 1 336.480 2.511 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184682252 1290499102 /nfs/dbraw/zinc/49/91/02/1290499102.db2.gz CEGIUXJFLSBAQC-ROUUACIJSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185212771 1290621529 /nfs/dbraw/zinc/62/15/29/1290621529.db2.gz CDYGJSNRCNRBRW-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203232870 1291027505 /nfs/dbraw/zinc/02/75/05/1291027505.db2.gz XVGQZFWOWUZQGZ-ZWKOTPCHSA-N 2 1 333.520 2.844 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233038 1291064757 /nfs/dbraw/zinc/06/47/57/1291064757.db2.gz ZHIZPRWGJKTWGV-RBUKOAKNSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751519 1312835417 /nfs/dbraw/zinc/83/54/17/1312835417.db2.gz UMTCTNOOFBLZDJ-GOSISDBHSA-N 2 1 331.504 2.612 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793558 1312843245 /nfs/dbraw/zinc/84/32/45/1312843245.db2.gz UMJJWFMMKYKFTL-MRXNPFEDSA-N 2 1 341.927 2.737 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793277 1312843459 /nfs/dbraw/zinc/84/34/59/1312843459.db2.gz HRHBYMDONLKOPY-SFHVURJKSA-N 2 1 335.536 2.951 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971574 1291275629 /nfs/dbraw/zinc/27/56/29/1291275629.db2.gz RHNNWMJINVRPOB-FGTMMUONSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971574 1291275636 /nfs/dbraw/zinc/27/56/36/1291275636.db2.gz RHNNWMJINVRPOB-FGTMMUONSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971575 1291277009 /nfs/dbraw/zinc/27/70/09/1291277009.db2.gz RHNNWMJINVRPOB-OKZBNKHCSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971575 1291277012 /nfs/dbraw/zinc/27/70/12/1291277012.db2.gz RHNNWMJINVRPOB-OKZBNKHCSA-N 2 1 344.503 2.896 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233081416 1312852134 /nfs/dbraw/zinc/85/21/34/1312852134.db2.gz DOFYYDUTMWNIJC-NHCUHLMSSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233081416 1312852139 /nfs/dbraw/zinc/85/21/39/1312852139.db2.gz DOFYYDUTMWNIJC-NHCUHLMSSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233081416 1312852142 /nfs/dbraw/zinc/85/21/42/1312852142.db2.gz DOFYYDUTMWNIJC-NHCUHLMSSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233081416 1312852146 /nfs/dbraw/zinc/85/21/46/1312852146.db2.gz DOFYYDUTMWNIJC-NHCUHLMSSA-N 2 1 349.482 2.554 20 30 EFEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082994 1312852460 /nfs/dbraw/zinc/85/24/60/1312852460.db2.gz OCNQVGGIEYCNEN-FQEVSTJZSA-N 2 1 327.472 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689686 1291445012 /nfs/dbraw/zinc/44/50/12/1291445012.db2.gz AHDCKCRIDGYUTP-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035483 1291555474 /nfs/dbraw/zinc/55/54/74/1291555474.db2.gz ZPFACUHCDRWWDX-RBUKOAKNSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317211 1291671017 /nfs/dbraw/zinc/67/10/17/1291671017.db2.gz JXHHZILJOPNQIM-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317211 1291671020 /nfs/dbraw/zinc/67/10/20/1291671020.db2.gz JXHHZILJOPNQIM-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544945 1291739281 /nfs/dbraw/zinc/73/92/81/1291739281.db2.gz CDJLRORAVUZBNB-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552557 1291752995 /nfs/dbraw/zinc/75/29/95/1291752995.db2.gz SJRTUDLJUBVEFN-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957556068 1291759032 /nfs/dbraw/zinc/75/90/32/1291759032.db2.gz XIHHEURFKOSYIA-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000957579384 1291795103 /nfs/dbraw/zinc/79/51/03/1291795103.db2.gz OMBPELKXCIGVLV-UHFFFAOYSA-N 2 1 344.503 2.862 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779466 1312881189 /nfs/dbraw/zinc/88/11/89/1312881189.db2.gz HXEMUGFDJYIVOT-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779893 1312881823 /nfs/dbraw/zinc/88/18/23/1312881823.db2.gz VJHYZHNZUNFITJ-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779891 1312882391 /nfs/dbraw/zinc/88/23/91/1312882391.db2.gz VJHYZHNZUNFITJ-ICSRJNTNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602840 1291854061 /nfs/dbraw/zinc/85/40/61/1291854061.db2.gz HSUUFHQPPAAASY-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957606021 1291859824 /nfs/dbraw/zinc/85/98/24/1291859824.db2.gz VUDAHVUEUDQGTO-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788102 1291862138 /nfs/dbraw/zinc/86/21/38/1291862138.db2.gz SVNJKQVOIMXOFW-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788102 1291862150 /nfs/dbraw/zinc/86/21/50/1291862150.db2.gz SVNJKQVOIMXOFW-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788102 1291862162 /nfs/dbraw/zinc/86/21/62/1291862162.db2.gz SVNJKQVOIMXOFW-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC000957614438 1291884219 /nfs/dbraw/zinc/88/42/19/1291884219.db2.gz HWMRQXASMQDQFG-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617492 1291891370 /nfs/dbraw/zinc/89/13/70/1291891370.db2.gz NMVMZLXVCTZTMM-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647503 1291959980 /nfs/dbraw/zinc/95/99/80/1291959980.db2.gz KMPSKLVYKGIJEJ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176692 1292043599 /nfs/dbraw/zinc/04/35/99/1292043599.db2.gz OOPJZDDDUYRGAM-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190176692 1292043607 /nfs/dbraw/zinc/04/36/07/1292043607.db2.gz OOPJZDDDUYRGAM-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190176692 1292043619 /nfs/dbraw/zinc/04/36/19/1292043619.db2.gz OOPJZDDDUYRGAM-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016655106 1312907226 /nfs/dbraw/zinc/90/72/26/1312907226.db2.gz MTZFJHRVQDRWBV-RTBURBONSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479048 1312908626 /nfs/dbraw/zinc/90/86/26/1312908626.db2.gz XHONWSADRQKUNU-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428224 1312922195 /nfs/dbraw/zinc/92/21/95/1312922195.db2.gz XFEPWLAAQWWKMA-DLBZAZTESA-N 2 1 335.536 2.948 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428225 1312922397 /nfs/dbraw/zinc/92/23/97/1312922397.db2.gz XFEPWLAAQWWKMA-IAGOWNOFSA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191008742 1292421809 /nfs/dbraw/zinc/42/18/09/1292421809.db2.gz AIGABYPZMBKNSD-PKOBYXMFSA-N 2 1 344.503 2.725 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467687 1312930891 /nfs/dbraw/zinc/93/08/91/1312930891.db2.gz DHCWCHHIENMCOL-SJORKVTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468715 1312931378 /nfs/dbraw/zinc/93/13/78/1312931378.db2.gz MUYCFDKIFAKYEZ-IAGOWNOFSA-N 2 1 344.503 2.990 20 30 EFEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468495 1312931646 /nfs/dbraw/zinc/93/16/46/1312931646.db2.gz LAESSDQUGUKXPN-JKSUJKDBSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543197 1292563513 /nfs/dbraw/zinc/56/35/13/1292563513.db2.gz KXDYLTCAYAODIB-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543197 1292563516 /nfs/dbraw/zinc/56/35/16/1292563516.db2.gz KXDYLTCAYAODIB-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491443 1312937793 /nfs/dbraw/zinc/93/77/93/1312937793.db2.gz GHYSJFYVPXMNCX-SJORKVTESA-N 2 1 330.476 2.565 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203492976 1312938270 /nfs/dbraw/zinc/93/82/70/1312938270.db2.gz PJADOHIFFAZLDH-SJORKVTESA-N 2 1 330.476 2.565 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507576 1312941381 /nfs/dbraw/zinc/94/13/81/1312941381.db2.gz SXUMLPMDHGBMNM-MSOLQXFVSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967489 1292741530 /nfs/dbraw/zinc/74/15/30/1292741530.db2.gz ISZYYJDCJMNEDL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967489 1292741535 /nfs/dbraw/zinc/74/15/35/1292741535.db2.gz ISZYYJDCJMNEDL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967489 1292741539 /nfs/dbraw/zinc/74/15/39/1292741539.db2.gz ISZYYJDCJMNEDL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128896705 1292801105 /nfs/dbraw/zinc/80/11/05/1292801105.db2.gz HIQRQJCNQRPPPK-SWLSCSKDSA-N 2 1 336.430 2.645 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523842 1312964378 /nfs/dbraw/zinc/96/43/78/1312964378.db2.gz IAFUVKCXXAJSCR-KSZLIROESA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523842 1312964382 /nfs/dbraw/zinc/96/43/82/1312964382.db2.gz IAFUVKCXXAJSCR-KSZLIROESA-N 2 1 342.487 2.792 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680955 1292985238 /nfs/dbraw/zinc/98/52/38/1292985238.db2.gz ZXRFDHGRDOYCME-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680953 1292985716 /nfs/dbraw/zinc/98/57/16/1292985716.db2.gz ZXRFDHGRDOYCME-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(CC)CC ZINC001049527835 1312969644 /nfs/dbraw/zinc/96/96/44/1312969644.db2.gz BDOAOGKNHXBCIB-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(CC)CC ZINC001049527835 1312969647 /nfs/dbraw/zinc/96/96/47/1312969647.db2.gz BDOAOGKNHXBCIB-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049527835 1312969648 /nfs/dbraw/zinc/96/96/48/1312969648.db2.gz BDOAOGKNHXBCIB-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049527835 1312969651 /nfs/dbraw/zinc/96/96/51/1312969651.db2.gz BDOAOGKNHXBCIB-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049536432 1312979000 /nfs/dbraw/zinc/97/90/00/1312979000.db2.gz NQJJVIBJMQXIIR-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536432 1312979003 /nfs/dbraw/zinc/97/90/03/1312979003.db2.gz NQJJVIBJMQXIIR-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536432 1312979005 /nfs/dbraw/zinc/97/90/05/1312979005.db2.gz NQJJVIBJMQXIIR-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049538066 1312981664 /nfs/dbraw/zinc/98/16/64/1312981664.db2.gz SYTZGDNMKDFXPI-GVDBMIGSSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049538066 1312981668 /nfs/dbraw/zinc/98/16/68/1312981668.db2.gz SYTZGDNMKDFXPI-GVDBMIGSSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538066 1312981672 /nfs/dbraw/zinc/98/16/72/1312981672.db2.gz SYTZGDNMKDFXPI-GVDBMIGSSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538066 1312981676 /nfs/dbraw/zinc/98/16/76/1312981676.db2.gz SYTZGDNMKDFXPI-GVDBMIGSSA-N 2 1 339.911 2.679 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193384014 1293283862 /nfs/dbraw/zinc/28/38/62/1293283862.db2.gz ZNZIWGQGTFYMPO-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408518 1293295055 /nfs/dbraw/zinc/29/50/55/1293295055.db2.gz LWNNUPWUKHPTDE-UYAOXDASSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423924 1293301728 /nfs/dbraw/zinc/30/17/28/1293301728.db2.gz HSLKSLSMWHBLRS-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423924 1293301735 /nfs/dbraw/zinc/30/17/35/1293301735.db2.gz HSLKSLSMWHBLRS-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423924 1293301745 /nfs/dbraw/zinc/30/17/45/1293301745.db2.gz HSLKSLSMWHBLRS-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193425126 1293305033 /nfs/dbraw/zinc/30/50/33/1293305033.db2.gz SWAYNFXKPCSEKA-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425126 1293305041 /nfs/dbraw/zinc/30/50/41/1293305041.db2.gz SWAYNFXKPCSEKA-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425126 1293305046 /nfs/dbraw/zinc/30/50/46/1293305046.db2.gz SWAYNFXKPCSEKA-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193786055 1293429539 /nfs/dbraw/zinc/42/95/39/1293429539.db2.gz DFPYFFRAJWYBKF-GOSISDBHSA-N 2 1 332.492 2.632 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275171 1293561406 /nfs/dbraw/zinc/56/14/06/1293561406.db2.gz POPSDEKEWAYBGI-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275171 1293561410 /nfs/dbraw/zinc/56/14/10/1293561410.db2.gz POPSDEKEWAYBGI-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275079 1293561871 /nfs/dbraw/zinc/56/18/71/1293561871.db2.gz NTIONNQZBGVSRP-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274431 1293562417 /nfs/dbraw/zinc/56/24/17/1293562417.db2.gz HPQVVLNIXVXSIU-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274431 1293562421 /nfs/dbraw/zinc/56/24/21/1293562421.db2.gz HPQVVLNIXVXSIU-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563102 1313018682 /nfs/dbraw/zinc/01/86/82/1313018682.db2.gz CDVCYZVNUOAGCE-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563102 1313018686 /nfs/dbraw/zinc/01/86/86/1313018686.db2.gz CDVCYZVNUOAGCE-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563102 1313018690 /nfs/dbraw/zinc/01/86/90/1313018690.db2.gz CDVCYZVNUOAGCE-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922478 1313044205 /nfs/dbraw/zinc/04/42/05/1313044205.db2.gz DIKIUFWZQYWOCS-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045024 /nfs/dbraw/zinc/04/50/24/1313045024.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 1 327.472 2.881 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155647 1294152180 /nfs/dbraw/zinc/15/21/80/1294152180.db2.gz PYJBKSKCZGNMQO-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155647 1294152185 /nfs/dbraw/zinc/15/21/85/1294152185.db2.gz PYJBKSKCZGNMQO-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155647 1294152189 /nfs/dbraw/zinc/15/21/89/1294152189.db2.gz PYJBKSKCZGNMQO-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388147 1294220236 /nfs/dbraw/zinc/22/02/36/1294220236.db2.gz DSWSNFXGRQBYFF-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388147 1294220237 /nfs/dbraw/zinc/22/02/37/1294220237.db2.gz DSWSNFXGRQBYFF-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388147 1294220240 /nfs/dbraw/zinc/22/02/40/1294220240.db2.gz DSWSNFXGRQBYFF-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303707372 1294562846 /nfs/dbraw/zinc/56/28/46/1294562846.db2.gz MGJRZCHWLDQIGU-VQIMIIECSA-N 2 1 344.503 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722492 1294569083 /nfs/dbraw/zinc/56/90/83/1294569083.db2.gz YHOJAMIHSGFBRY-CQSZACIVSA-N 2 1 328.382 2.594 20 30 EFEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303771736 1294577559 /nfs/dbraw/zinc/57/75/59/1294577559.db2.gz CWQVSOXVDUCXJA-CALCHBBNSA-N 2 1 346.519 2.746 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772009 1294578333 /nfs/dbraw/zinc/57/83/33/1294578333.db2.gz DGTGPOFELFTMBZ-CYBMUJFWSA-N 2 1 346.372 2.733 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779880 1294579067 /nfs/dbraw/zinc/57/90/67/1294579067.db2.gz KXWFRUUDDPVUOW-KRWDZBQOSA-N 2 1 334.533 2.617 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCC1 ZINC000303779400 1294579205 /nfs/dbraw/zinc/57/92/05/1294579205.db2.gz KNJAYOBFSJQCKM-QGZVFWFLSA-N 2 1 332.492 2.783 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775807 1294579702 /nfs/dbraw/zinc/57/97/02/1294579702.db2.gz HDOWHSPFYQFOPF-WMZOPIPTSA-N 2 1 332.492 2.543 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303783212 1294581436 /nfs/dbraw/zinc/58/14/36/1294581436.db2.gz OADFPOFEPXSCNN-AWEZNQCLSA-N 2 1 334.464 2.695 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885112 1294598380 /nfs/dbraw/zinc/59/83/80/1294598380.db2.gz MZBHTBRPRCNSPA-QGZVFWFLSA-N 2 1 332.492 2.610 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC)c1 ZINC000303974473 1294614514 /nfs/dbraw/zinc/61/45/14/1294614514.db2.gz HVURGKKXMCZNOG-CQSZACIVSA-N 2 1 336.480 2.941 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345433 1313109812 /nfs/dbraw/zinc/10/98/12/1313109812.db2.gz IIVPOFBIDVWMPL-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCOc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001204300411 1313119245 /nfs/dbraw/zinc/11/92/45/1313119245.db2.gz QMLGCKKOESYJKV-UHFFFAOYSA-N 2 1 334.460 2.568 20 30 EFEDMP C=CCOc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001204300411 1313119249 /nfs/dbraw/zinc/11/92/49/1313119249.db2.gz QMLGCKKOESYJKV-UHFFFAOYSA-N 2 1 334.460 2.568 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640239 1313121771 /nfs/dbraw/zinc/12/17/71/1313121771.db2.gz UMRUXALXXLIOPL-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617643 1295143738 /nfs/dbraw/zinc/14/37/38/1295143738.db2.gz PRLMEBJQTUSACJ-ROUUACIJSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198774826 1295245130 /nfs/dbraw/zinc/24/51/30/1295245130.db2.gz BFEYYNGGADBCEU-MSOLQXFVSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202758273 1295381425 /nfs/dbraw/zinc/38/14/25/1295381425.db2.gz ZACWXNJSTLKLSS-UHFFFAOYSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677558 1313171675 /nfs/dbraw/zinc/17/16/75/1313171675.db2.gz UURJROMBQWJABJ-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677558 1313171677 /nfs/dbraw/zinc/17/16/77/1313171677.db2.gz UURJROMBQWJABJ-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000304746588 1295749093 /nfs/dbraw/zinc/74/90/93/1295749093.db2.gz FXWUUALMBSRLIB-CVEARBPZSA-N 2 1 332.492 2.895 20 30 EFEDMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1cccc(C)c1 ZINC000304759203 1295749918 /nfs/dbraw/zinc/74/99/18/1295749918.db2.gz QXYRMOLYPOXVEY-SJORKVTESA-N 2 1 332.492 2.541 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952532 1295793641 /nfs/dbraw/zinc/79/36/41/1295793641.db2.gz TXUGIUKRMXSUDM-SFHVURJKSA-N 2 1 344.503 2.672 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001204843905 1313202049 /nfs/dbraw/zinc/20/20/49/1313202049.db2.gz ZTSPMHHPFXUSQJ-SFHVURJKSA-N 2 1 349.519 2.877 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCCC[NH2+]1)CC2 ZINC001204847580 1313202526 /nfs/dbraw/zinc/20/25/26/1313202526.db2.gz CWQBZPDVBUFHED-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718801 1313220696 /nfs/dbraw/zinc/22/06/96/1313220696.db2.gz NYMVRTYSELUEJB-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718801 1313220697 /nfs/dbraw/zinc/22/06/97/1313220697.db2.gz NYMVRTYSELUEJB-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049718801 1313220701 /nfs/dbraw/zinc/22/07/01/1313220701.db2.gz NYMVRTYSELUEJB-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718805 1313220875 /nfs/dbraw/zinc/22/08/75/1313220875.db2.gz NYMVRTYSELUEJB-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718805 1313220878 /nfs/dbraw/zinc/22/08/78/1313220878.db2.gz NYMVRTYSELUEJB-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049718805 1313220881 /nfs/dbraw/zinc/22/08/81/1313220881.db2.gz NYMVRTYSELUEJB-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1 ZINC001275132337 1296235747 /nfs/dbraw/zinc/23/57/47/1296235747.db2.gz QUBDOHWCYQSWAX-RTWAWAEBSA-N 2 1 325.500 2.754 20 30 EFEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cc(C#N)c3)(C1)CCC2 ZINC001275413391 1296274706 /nfs/dbraw/zinc/27/47/06/1296274706.db2.gz JYGJHHMVAVGCMH-VQTJNVASSA-N 2 1 344.478 2.784 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750978 1313253822 /nfs/dbraw/zinc/25/38/22/1313253822.db2.gz AURKYSPLLJUVLY-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750978 1313253824 /nfs/dbraw/zinc/25/38/24/1313253824.db2.gz AURKYSPLLJUVLY-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261931 /nfs/dbraw/zinc/26/19/31/1313261931.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261935 /nfs/dbraw/zinc/26/19/35/1313261935.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030195 1296494189 /nfs/dbraw/zinc/49/41/89/1296494189.db2.gz BZDQZROGVIMRFM-OQIJWPOYSA-N 2 1 326.488 2.697 20 30 EFEDMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030195 1296494193 /nfs/dbraw/zinc/49/41/93/1296494193.db2.gz BZDQZROGVIMRFM-OQIJWPOYSA-N 2 1 326.488 2.697 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283526 1313264543 /nfs/dbraw/zinc/26/45/43/1313264543.db2.gz DNPHDKFSPGFSBP-RTBURBONSA-N 2 1 333.520 2.655 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261927 /nfs/dbraw/zinc/26/19/27/1313261927.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334429 1313270979 /nfs/dbraw/zinc/27/09/79/1313270979.db2.gz LRYWZQIYODQTHG-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339258 1313271580 /nfs/dbraw/zinc/27/15/80/1313271580.db2.gz CVIAYXQWIGYDKD-INIZCTEOSA-N 2 1 332.492 2.801 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053619 1296567228 /nfs/dbraw/zinc/56/72/28/1296567228.db2.gz VAQDNBDBWXBNBS-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049766760 1313276763 /nfs/dbraw/zinc/27/67/63/1313276763.db2.gz MXSGZQZNRLHZFS-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767675 1313277805 /nfs/dbraw/zinc/27/78/05/1313277805.db2.gz QDRPDFVUXSNQEB-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767675 1313277809 /nfs/dbraw/zinc/27/78/09/1313277809.db2.gz QDRPDFVUXSNQEB-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767675 1313277813 /nfs/dbraw/zinc/27/78/13/1313277813.db2.gz QDRPDFVUXSNQEB-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768529 1313279203 /nfs/dbraw/zinc/27/92/03/1313279203.db2.gz WWRHATAKSYJNKB-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768529 1313279206 /nfs/dbraw/zinc/27/92/06/1313279206.db2.gz WWRHATAKSYJNKB-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768699 1313279540 /nfs/dbraw/zinc/27/95/40/1313279540.db2.gz YQMAGFLXRPOMED-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960272570 1296683416 /nfs/dbraw/zinc/68/34/16/1296683416.db2.gz DZOHYGMSBWYGKQ-HSALFYBXSA-N 2 1 341.499 2.809 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461525 1313293778 /nfs/dbraw/zinc/29/37/78/1313293778.db2.gz MAAUVGUULPFFRC-QGZVFWFLSA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205463965 1313294444 /nfs/dbraw/zinc/29/44/44/1313294444.db2.gz BUSBFTYZMWCWCC-IBGZPJMESA-N 2 1 335.536 2.759 20 30 EFEDMP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277942969 1313313996 /nfs/dbraw/zinc/31/39/96/1313313996.db2.gz IDKGIWFHEIWNPR-UHFFFAOYSA-N 2 1 329.492 2.885 20 30 EFEDMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277942969 1313313998 /nfs/dbraw/zinc/31/39/98/1313313998.db2.gz IDKGIWFHEIWNPR-UHFFFAOYSA-N 2 1 329.492 2.885 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807465 1313323404 /nfs/dbraw/zinc/32/34/04/1313323404.db2.gz SSMKBUOCFSNKHE-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001205681381 1313336568 /nfs/dbraw/zinc/33/65/68/1313336568.db2.gz IRZHLTJMEWUBPX-HXUWFJFHSA-N 2 1 340.492 2.824 20 30 EFEDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001205681381 1313336573 /nfs/dbraw/zinc/33/65/73/1313336573.db2.gz IRZHLTJMEWUBPX-HXUWFJFHSA-N 2 1 340.492 2.824 20 30 EFEDMP C=CC[NH2+]CCN1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001235591886 1313356090 /nfs/dbraw/zinc/35/60/90/1313356090.db2.gz MVVYYKZKQKBQHD-UHFFFAOYSA-N 2 1 343.515 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631513 1313363020 /nfs/dbraw/zinc/36/30/20/1313363020.db2.gz ADFNCUCQJYTCLY-ROUUACIJSA-N 2 1 332.492 2.969 20 30 EFEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202163172 1297267193 /nfs/dbraw/zinc/26/71/93/1297267193.db2.gz CPGMCWHFLRGKEV-SFHVURJKSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835542 1313365488 /nfs/dbraw/zinc/36/54/88/1313365488.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835542 1313365492 /nfs/dbraw/zinc/36/54/92/1313365492.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835542 1313365496 /nfs/dbraw/zinc/36/54/96/1313365496.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111020519 1297380912 /nfs/dbraw/zinc/38/09/12/1297380912.db2.gz DSPPGYRFXZUOGD-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020519 1297380920 /nfs/dbraw/zinc/38/09/20/1297380920.db2.gz DSPPGYRFXZUOGD-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020519 1297380929 /nfs/dbraw/zinc/38/09/29/1297380929.db2.gz DSPPGYRFXZUOGD-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022909 1313392576 /nfs/dbraw/zinc/39/25/76/1313392576.db2.gz LMRHYQKBHWDRCH-LJQANCHMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031108 1313394285 /nfs/dbraw/zinc/39/42/85/1313394285.db2.gz NKHKTYDMJFHEAS-AOIWGVFYSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555475 1313412264 /nfs/dbraw/zinc/41/22/64/1313412264.db2.gz OHRQPJZZWYODLA-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555475 1313412268 /nfs/dbraw/zinc/41/22/68/1313412268.db2.gz OHRQPJZZWYODLA-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555475 1313412271 /nfs/dbraw/zinc/41/22/71/1313412271.db2.gz OHRQPJZZWYODLA-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555475 1313412273 /nfs/dbraw/zinc/41/22/73/1313412273.db2.gz OHRQPJZZWYODLA-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555816 1313412351 /nfs/dbraw/zinc/41/23/51/1313412351.db2.gz VSTPKVQACFFCRR-HDICACEKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC001206192701 1313418949 /nfs/dbraw/zinc/41/89/49/1313418949.db2.gz YSOWOSCQMHYSPL-UHFFFAOYSA-N 2 1 334.533 2.552 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235968557 1313424672 /nfs/dbraw/zinc/42/46/72/1313424672.db2.gz IPYOLRGFSPNXRY-ZTFGCOKTSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235968557 1313424675 /nfs/dbraw/zinc/42/46/75/1313424675.db2.gz IPYOLRGFSPNXRY-ZTFGCOKTSA-N 2 1 349.425 2.892 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282195 1313431706 /nfs/dbraw/zinc/43/17/06/1313431706.db2.gz RRUXWXWZDVWDDO-MJGOQNOKSA-N 2 1 337.552 2.983 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282562 1313431728 /nfs/dbraw/zinc/43/17/28/1313431728.db2.gz VJCCYPBRQYGCCL-MJGOQNOKSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CC[NH2+]CCN(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC001236144751 1313446986 /nfs/dbraw/zinc/44/69/86/1313446986.db2.gz AKXXXXOSOBQGKF-IBGZPJMESA-N 2 1 331.504 2.757 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775817 1298062686 /nfs/dbraw/zinc/06/26/86/1298062686.db2.gz RSLULVGKJARWQI-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775817 1298062698 /nfs/dbraw/zinc/06/26/98/1298062698.db2.gz RSLULVGKJARWQI-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775817 1298062712 /nfs/dbraw/zinc/06/27/12/1298062712.db2.gz RSLULVGKJARWQI-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659699 1313460295 /nfs/dbraw/zinc/46/02/95/1313460295.db2.gz ZLTVHUXOQXNFNM-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017659699 1313460298 /nfs/dbraw/zinc/46/02/98/1313460298.db2.gz ZLTVHUXOQXNFNM-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659699 1313460300 /nfs/dbraw/zinc/46/03/00/1313460300.db2.gz ZLTVHUXOQXNFNM-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481309 1313461721 /nfs/dbraw/zinc/46/17/21/1313461721.db2.gz FORZZVHGRPHYDT-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481306 1313461750 /nfs/dbraw/zinc/46/17/50/1313461750.db2.gz FORZZVHGRPHYDT-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914622 1313477757 /nfs/dbraw/zinc/47/77/57/1313477757.db2.gz QYDNJYIXBOJZSV-VAMGGRTRSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914622 1313477758 /nfs/dbraw/zinc/47/77/58/1313477758.db2.gz QYDNJYIXBOJZSV-VAMGGRTRSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914906 1313478270 /nfs/dbraw/zinc/47/82/70/1313478270.db2.gz SCIDXUPNNZZGEL-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915366 1313479621 /nfs/dbraw/zinc/47/96/21/1313479621.db2.gz UJROZUWIKQUIMC-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915367 1313479690 /nfs/dbraw/zinc/47/96/90/1313479690.db2.gz UJROZUWIKQUIMC-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049917906 1313483298 /nfs/dbraw/zinc/48/32/98/1313483298.db2.gz JDHLQOZYGFPDRS-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049917906 1313483300 /nfs/dbraw/zinc/48/33/00/1313483300.db2.gz JDHLQOZYGFPDRS-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049917906 1313483304 /nfs/dbraw/zinc/48/33/04/1313483304.db2.gz JDHLQOZYGFPDRS-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182321 1298263772 /nfs/dbraw/zinc/26/37/72/1298263772.db2.gz LDQVSGVTQAMCTG-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188628 1298274380 /nfs/dbraw/zinc/27/43/80/1298274380.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188628 1298274383 /nfs/dbraw/zinc/27/43/83/1298274383.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188628 1298274393 /nfs/dbraw/zinc/27/43/93/1298274393.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926415 1313495936 /nfs/dbraw/zinc/49/59/36/1313495936.db2.gz OVXDKVVVIMPRJF-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231290 1298375763 /nfs/dbraw/zinc/37/57/63/1298375763.db2.gz QHJWHVKANYZLPV-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234793 1298383927 /nfs/dbraw/zinc/38/39/27/1298383927.db2.gz XOYUEUVMZXMZNG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242727 1298403642 /nfs/dbraw/zinc/40/36/42/1298403642.db2.gz VQZOAYKOVPKVPQ-IAGOWNOFSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243938 1298405863 /nfs/dbraw/zinc/40/58/63/1298405863.db2.gz AKQOBIRJAKMZDT-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254798 1298428369 /nfs/dbraw/zinc/42/83/69/1298428369.db2.gz TYGVTONIIIKQAN-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285232 1298491057 /nfs/dbraw/zinc/49/10/57/1298491057.db2.gz PCZFFNNQROXUJQ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285232 1298491059 /nfs/dbraw/zinc/49/10/59/1298491059.db2.gz PCZFFNNQROXUJQ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289388 1298500447 /nfs/dbraw/zinc/50/04/47/1298500447.db2.gz YRFUFMZEHJYDGF-RTBURBONSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961349474 1298594506 /nfs/dbraw/zinc/59/45/06/1298594506.db2.gz SQCFHAFQFNFIMZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961349474 1298594517 /nfs/dbraw/zinc/59/45/17/1298594517.db2.gz SQCFHAFQFNFIMZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961349474 1298594530 /nfs/dbraw/zinc/59/45/30/1298594530.db2.gz SQCFHAFQFNFIMZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961365360 1298620628 /nfs/dbraw/zinc/62/06/28/1298620628.db2.gz GPYWRVDDNZQYMC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365360 1298620641 /nfs/dbraw/zinc/62/06/41/1298620641.db2.gz GPYWRVDDNZQYMC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365360 1298620649 /nfs/dbraw/zinc/62/06/49/1298620649.db2.gz GPYWRVDDNZQYMC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961365485 1298621048 /nfs/dbraw/zinc/62/10/48/1298621048.db2.gz DTNNGDBWZSJPDJ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365485 1298621060 /nfs/dbraw/zinc/62/10/60/1298621060.db2.gz DTNNGDBWZSJPDJ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365485 1298621072 /nfs/dbraw/zinc/62/10/72/1298621072.db2.gz DTNNGDBWZSJPDJ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961365350 1298621752 /nfs/dbraw/zinc/62/17/52/1298621752.db2.gz GPYWRVDDNZQYMC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365350 1298621760 /nfs/dbraw/zinc/62/17/60/1298621760.db2.gz GPYWRVDDNZQYMC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365350 1298621764 /nfs/dbraw/zinc/62/17/64/1298621764.db2.gz GPYWRVDDNZQYMC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370839 1298632290 /nfs/dbraw/zinc/63/22/90/1298632290.db2.gz DYZMMGMUDIOYHT-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370839 1298632299 /nfs/dbraw/zinc/63/22/99/1298632299.db2.gz DYZMMGMUDIOYHT-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370839 1298632307 /nfs/dbraw/zinc/63/23/07/1298632307.db2.gz DYZMMGMUDIOYHT-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961372215 1298634457 /nfs/dbraw/zinc/63/44/57/1298634457.db2.gz JWJGUVREMGITMM-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961372215 1298634462 /nfs/dbraw/zinc/63/44/62/1298634462.db2.gz JWJGUVREMGITMM-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961372215 1298634469 /nfs/dbraw/zinc/63/44/69/1298634469.db2.gz JWJGUVREMGITMM-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372292 1298634877 /nfs/dbraw/zinc/63/48/77/1298634877.db2.gz AVKAZQMIWOTQNL-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376761 1298647310 /nfs/dbraw/zinc/64/73/10/1298647310.db2.gz CPHUTOHHBVVGGB-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376761 1298647320 /nfs/dbraw/zinc/64/73/20/1298647320.db2.gz CPHUTOHHBVVGGB-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376761 1298647333 /nfs/dbraw/zinc/64/73/33/1298647333.db2.gz CPHUTOHHBVVGGB-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377577 1298649552 /nfs/dbraw/zinc/64/95/52/1298649552.db2.gz XNZMUJYKAXSIGW-UXHICEINSA-N 2 1 347.547 2.547 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403027 1298696306 /nfs/dbraw/zinc/69/63/06/1298696306.db2.gz TYTGQJPOZPDDMT-WOJBJXKFSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411934 1298707137 /nfs/dbraw/zinc/70/71/37/1298707137.db2.gz QTHPXBMVCCQEJR-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417840 1298720721 /nfs/dbraw/zinc/72/07/21/1298720721.db2.gz TYLGXAAGZFLOCC-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417841 1298720886 /nfs/dbraw/zinc/72/08/86/1298720886.db2.gz TYLGXAAGZFLOCC-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969852 1313575687 /nfs/dbraw/zinc/57/56/87/1313575687.db2.gz PREXBDZRKZUYCA-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969852 1313575691 /nfs/dbraw/zinc/57/56/91/1313575691.db2.gz PREXBDZRKZUYCA-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1N1CCCCC1 ZINC000305810534 1299037197 /nfs/dbraw/zinc/03/71/97/1299037197.db2.gz LXYHFNVFGZJXRY-SFHVURJKSA-N 2 1 343.519 2.566 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408406 1299123399 /nfs/dbraw/zinc/12/33/99/1299123399.db2.gz WWPPYUOBAHCLPV-KURKYZTESA-N 2 1 330.476 2.659 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408406 1299123407 /nfs/dbraw/zinc/12/34/07/1299123407.db2.gz WWPPYUOBAHCLPV-KURKYZTESA-N 2 1 330.476 2.659 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CC1 ZINC001237413220 1313640813 /nfs/dbraw/zinc/64/08/13/1313640813.db2.gz VSDRLJUUHFGWHS-MSOLQXFVSA-N 2 1 332.488 2.764 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018026664 1313647733 /nfs/dbraw/zinc/64/77/33/1313647733.db2.gz NGVAPQSIEXVCGM-GBESFXJTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207276466 1313649539 /nfs/dbraw/zinc/64/95/39/1313649539.db2.gz XEVGKKGTCUDMRP-LJQANCHMSA-N 2 1 337.508 2.685 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052149 1313660456 /nfs/dbraw/zinc/66/04/56/1313660456.db2.gz MABNWGAIPLNTPH-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018052149 1313660460 /nfs/dbraw/zinc/66/04/60/1313660460.db2.gz MABNWGAIPLNTPH-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018052149 1313660464 /nfs/dbraw/zinc/66/04/64/1313660464.db2.gz MABNWGAIPLNTPH-OKYOBFRVSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673885 1300326159 /nfs/dbraw/zinc/32/61/59/1300326159.db2.gz XTMVGLVODSGNQI-QRVBRYPASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001114502011 1300330581 /nfs/dbraw/zinc/33/05/81/1300330581.db2.gz MCPJYXCISVBPAZ-ZGXWSNOMSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502011 1300330592 /nfs/dbraw/zinc/33/05/92/1300330592.db2.gz MCPJYXCISVBPAZ-ZGXWSNOMSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502011 1300330607 /nfs/dbraw/zinc/33/06/07/1300330607.db2.gz MCPJYXCISVBPAZ-ZGXWSNOMSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCC1CC[NH+](C)CC1)CCO2 ZINC001207482914 1313697777 /nfs/dbraw/zinc/69/77/77/1313697777.db2.gz HWRCNXNHVNXRAV-VQTJNVASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482535 1313697850 /nfs/dbraw/zinc/69/78/50/1313697850.db2.gz NCSNIOUULBATJY-WOJBJXKFSA-N 2 1 336.520 2.792 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307038 1300557979 /nfs/dbraw/zinc/55/79/79/1300557979.db2.gz VWIWNHVFTFSXQZ-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001110686432 1300584046 /nfs/dbraw/zinc/58/40/46/1300584046.db2.gz XKORZRFQJUMFDM-VDCDIQELSA-N 2 1 342.487 2.981 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001110686432 1300584056 /nfs/dbraw/zinc/58/40/56/1300584056.db2.gz XKORZRFQJUMFDM-VDCDIQELSA-N 2 1 342.487 2.981 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344972 1300649605 /nfs/dbraw/zinc/64/96/05/1300649605.db2.gz BRWNZXAHMGRQSN-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358978 1300682061 /nfs/dbraw/zinc/68/20/61/1300682061.db2.gz ZOFMYQXQMADGCQ-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360164 1300683989 /nfs/dbraw/zinc/68/39/89/1300683989.db2.gz KYKSOURSPDEPOH-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360164 1300683998 /nfs/dbraw/zinc/68/39/98/1300683998.db2.gz KYKSOURSPDEPOH-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360164 1300684010 /nfs/dbraw/zinc/68/40/10/1300684010.db2.gz KYKSOURSPDEPOH-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541209 1313712031 /nfs/dbraw/zinc/71/20/31/1313712031.db2.gz YVOTVKSLFSMLCD-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207541209 1313712033 /nfs/dbraw/zinc/71/20/33/1313712033.db2.gz YVOTVKSLFSMLCD-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207541209 1313712036 /nfs/dbraw/zinc/71/20/36/1313712036.db2.gz YVOTVKSLFSMLCD-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367370 1300704375 /nfs/dbraw/zinc/70/43/75/1300704375.db2.gz OOKLOAVBTLYJQH-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372340 1300716884 /nfs/dbraw/zinc/71/68/84/1300716884.db2.gz SDCWKNYQOFOTGC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372340 1300716891 /nfs/dbraw/zinc/71/68/91/1300716891.db2.gz SDCWKNYQOFOTGC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384995 1300742594 /nfs/dbraw/zinc/74/25/94/1300742594.db2.gz YZGZTIBBPISADT-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018154534 1313716347 /nfs/dbraw/zinc/71/63/47/1313716347.db2.gz LASSLBMBAIVADZ-BGYRXZFFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018157917 1313718970 /nfs/dbraw/zinc/71/89/70/1313718970.db2.gz QGLORFDTOZANCA-ZVDOUQERSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018157917 1313718974 /nfs/dbraw/zinc/71/89/74/1313718974.db2.gz QGLORFDTOZANCA-ZVDOUQERSA-N 2 1 341.499 2.715 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413255 1300795753 /nfs/dbraw/zinc/79/57/53/1300795753.db2.gz CXVOHAUYKXUQLD-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417610 1300808628 /nfs/dbraw/zinc/80/86/28/1300808628.db2.gz ORONCXKXYMVXPL-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432064 1300844700 /nfs/dbraw/zinc/84/47/00/1300844700.db2.gz ZTDHGVBVSAHIDI-WOJBJXKFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176916 1313728232 /nfs/dbraw/zinc/72/82/32/1313728232.db2.gz SMUGCUGJXSVPIH-CADBVGFASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000963902876 1301453889 /nfs/dbraw/zinc/45/38/89/1301453889.db2.gz SWGQENSPAUSSIE-AOCRQIFASA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963948040 1301506346 /nfs/dbraw/zinc/50/63/46/1301506346.db2.gz YHRRWIHDMXCOKO-HNSLBZJHSA-N 2 1 345.531 2.987 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988123 1313818501 /nfs/dbraw/zinc/81/85/01/1313818501.db2.gz FPWLSKSRUYQFAC-IIDMSEBBSA-N 2 1 326.444 2.739 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073238 1313840184 /nfs/dbraw/zinc/84/01/84/1313840184.db2.gz FTRJNTUYJXKPQG-SJORKVTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073235 1313840362 /nfs/dbraw/zinc/84/03/62/1313840362.db2.gz FTRJNTUYJXKPQG-DLBZAZTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079456 1313841339 /nfs/dbraw/zinc/84/13/39/1313841339.db2.gz KCKQEGVXIWTYFQ-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079456 1313841344 /nfs/dbraw/zinc/84/13/44/1313841344.db2.gz KCKQEGVXIWTYFQ-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079456 1313841345 /nfs/dbraw/zinc/84/13/45/1313841345.db2.gz KCKQEGVXIWTYFQ-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114810 1313850953 /nfs/dbraw/zinc/85/09/53/1313850953.db2.gz VIFJYKLFYNFDIV-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP N#Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)s1 ZINC000863552101 1302647069 /nfs/dbraw/zinc/64/70/69/1302647069.db2.gz JYSHKUPAPXIWBW-KRWDZBQOSA-N 2 1 341.480 2.833 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+](CC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC001208185229 1313863639 /nfs/dbraw/zinc/86/36/39/1313863639.db2.gz XRYJKTMHYJWYDY-UHFFFAOYSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccc(F)c2)CC1 ZINC001208201376 1313868959 /nfs/dbraw/zinc/86/89/59/1313868959.db2.gz GJZPOBPKPDKWTD-UHFFFAOYSA-N 2 1 331.479 2.660 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965345590 1303143889 /nfs/dbraw/zinc/14/38/89/1303143889.db2.gz APNUDAWBAWKUPF-WZXTXQKWSA-N 2 1 333.520 2.842 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331039 1313901042 /nfs/dbraw/zinc/90/10/42/1313901042.db2.gz JSCPRKPGTUEFIY-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367387 1314485247 /nfs/dbraw/zinc/48/52/47/1314485247.db2.gz SAMHJZRCHXZDOF-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596097 1313972220 /nfs/dbraw/zinc/97/22/20/1313972220.db2.gz BKPZYUTXBLULKJ-PMACEKPBSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208605104 1313974852 /nfs/dbraw/zinc/97/48/52/1313974852.db2.gz YWFVJYRGNYTDHD-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208605104 1313974855 /nfs/dbraw/zinc/97/48/55/1313974855.db2.gz YWFVJYRGNYTDHD-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]2CC ZINC001208607094 1313976728 /nfs/dbraw/zinc/97/67/28/1313976728.db2.gz IZPXGDPSFKKILP-NSHGMRRFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]2CC ZINC001208607094 1313976731 /nfs/dbraw/zinc/97/67/31/1313976731.db2.gz IZPXGDPSFKKILP-NSHGMRRFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]2CC ZINC001208607094 1313976734 /nfs/dbraw/zinc/97/67/34/1313976734.db2.gz IZPXGDPSFKKILP-NSHGMRRFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]2CC ZINC001208607094 1313976736 /nfs/dbraw/zinc/97/67/36/1313976736.db2.gz IZPXGDPSFKKILP-NSHGMRRFSA-N 2 1 333.520 2.750 20 30 EFEDMP COc1cc(C#N)ccc1OC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614494 1313981176 /nfs/dbraw/zinc/98/11/76/1313981176.db2.gz DPHAHIHOGHMWCQ-QGZVFWFLSA-N 2 1 343.471 2.752 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037927011 1304817400 /nfs/dbraw/zinc/81/74/00/1304817400.db2.gz PIUYXYDMCYVDLW-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP N#Cc1cc(-c2cccc(C[NH+]3CCOCC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240350629 1314023788 /nfs/dbraw/zinc/02/37/88/1314023788.db2.gz FSTWNAZCMMBKQR-UHFFFAOYSA-N 2 1 333.435 2.744 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097406390 1314038361 /nfs/dbraw/zinc/03/83/61/1314038361.db2.gz YFTSNQHTFAQOOJ-YRXWBPOGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406390 1314038364 /nfs/dbraw/zinc/03/83/64/1314038364.db2.gz YFTSNQHTFAQOOJ-YRXWBPOGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406390 1314038367 /nfs/dbraw/zinc/03/83/67/1314038367.db2.gz YFTSNQHTFAQOOJ-YRXWBPOGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001209161088 1314103300 /nfs/dbraw/zinc/10/33/00/1314103300.db2.gz GONGQVXKLWNXIO-UHFFFAOYSA-N 2 1 329.488 2.962 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496927 1306400276 /nfs/dbraw/zinc/40/02/76/1306400276.db2.gz FJODTGNLDYDFOU-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968518066 1306423985 /nfs/dbraw/zinc/42/39/85/1306423985.db2.gz XMONMHLQHOMSFJ-APWZRJJASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968518069 1306424204 /nfs/dbraw/zinc/42/42/04/1306424204.db2.gz XMONMHLQHOMSFJ-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681092 1306563077 /nfs/dbraw/zinc/56/30/77/1306563077.db2.gz GQERGRDZTSLJJV-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681098 1306563336 /nfs/dbraw/zinc/56/33/36/1306563336.db2.gz GRTNYVYBJUKNDI-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690710 1306571477 /nfs/dbraw/zinc/57/14/77/1306571477.db2.gz ARVXCNHMFCRRMU-AEFFLSMTSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856094 1306726175 /nfs/dbraw/zinc/72/61/75/1306726175.db2.gz DSHFBBNKHKNHMA-OALUTQOASA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859850 1306731562 /nfs/dbraw/zinc/73/15/62/1306731562.db2.gz SAYYTTDERZYHIE-KRWDZBQOSA-N 2 1 326.444 2.803 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000968876932 1306747757 /nfs/dbraw/zinc/74/77/57/1306747757.db2.gz KSQKBWPQZLRBPO-KRWDZBQOSA-N 2 1 347.528 2.807 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876932 1306747766 /nfs/dbraw/zinc/74/77/66/1306747766.db2.gz KSQKBWPQZLRBPO-KRWDZBQOSA-N 2 1 347.528 2.807 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887381 1306761172 /nfs/dbraw/zinc/76/11/72/1306761172.db2.gz CBHMJSWLDVDBEP-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887381 1306761175 /nfs/dbraw/zinc/76/11/75/1306761175.db2.gz CBHMJSWLDVDBEP-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887381 1306761177 /nfs/dbraw/zinc/76/11/77/1306761177.db2.gz CBHMJSWLDVDBEP-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888025 1306762720 /nfs/dbraw/zinc/76/27/20/1306762720.db2.gz PRXKSTSWWGNMCK-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888025 1306762726 /nfs/dbraw/zinc/76/27/26/1306762726.db2.gz PRXKSTSWWGNMCK-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044761614 1306780702 /nfs/dbraw/zinc/78/07/02/1306780702.db2.gz XPKOOGHKBRVDQD-CABCVRRESA-N 2 1 338.883 2.728 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926049 1306804509 /nfs/dbraw/zinc/80/45/09/1306804509.db2.gz SYDJQMLWKKUQSW-KRWDZBQOSA-N 2 1 338.455 2.640 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934530 1306813995 /nfs/dbraw/zinc/81/39/95/1306813995.db2.gz ZOYCZQIRMWLSKE-GOSISDBHSA-N 2 1 333.520 2.942 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965125 1306842585 /nfs/dbraw/zinc/84/25/85/1306842585.db2.gz GSLGWXJIUBGJHR-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001804 1306877300 /nfs/dbraw/zinc/87/73/00/1306877300.db2.gz FOAHHWHVQRISLI-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001804 1306877304 /nfs/dbraw/zinc/87/73/04/1306877304.db2.gz FOAHHWHVQRISLI-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025297 1306903885 /nfs/dbraw/zinc/90/38/85/1306903885.db2.gz MZTYFJNZLUIWOU-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000969108702 1306984153 /nfs/dbraw/zinc/98/41/53/1306984153.db2.gz JUYOSTKWOPYQSP-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108702 1306984156 /nfs/dbraw/zinc/98/41/56/1306984156.db2.gz JUYOSTKWOPYQSP-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108702 1306984159 /nfs/dbraw/zinc/98/41/59/1306984159.db2.gz JUYOSTKWOPYQSP-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109042 1306985167 /nfs/dbraw/zinc/98/51/67/1306985167.db2.gz SSSSCONUCCFDMK-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045073572 1307034995 /nfs/dbraw/zinc/03/49/95/1307034995.db2.gz JVYNZLQRCABOID-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045073572 1307034997 /nfs/dbraw/zinc/03/49/97/1307034997.db2.gz JVYNZLQRCABOID-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437521 1307338531 /nfs/dbraw/zinc/33/85/31/1307338531.db2.gz BDQDQLNYEIHTPO-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437521 1307338533 /nfs/dbraw/zinc/33/85/33/1307338533.db2.gz BDQDQLNYEIHTPO-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441639 1307341848 /nfs/dbraw/zinc/34/18/48/1307341848.db2.gz IHTPMNCODTXQBZ-SFHVURJKSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001007331133 1307372455 /nfs/dbraw/zinc/37/24/55/1307372455.db2.gz BVCLZPVEOFHPPJ-QGZVFWFLSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585205 1307448121 /nfs/dbraw/zinc/44/81/21/1307448121.db2.gz OXCMHVKBSSRNPV-ZWKOTPCHSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620495 1307478759 /nfs/dbraw/zinc/47/87/59/1307478759.db2.gz RVMASKGXMPEOSK-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097695068 1314199241 /nfs/dbraw/zinc/19/92/41/1314199241.db2.gz QFYHABJYBQYZAN-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097695068 1314199244 /nfs/dbraw/zinc/19/92/44/1314199244.db2.gz QFYHABJYBQYZAN-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097695068 1314199245 /nfs/dbraw/zinc/19/92/45/1314199245.db2.gz QFYHABJYBQYZAN-MKXGPGLRSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705295 1314203168 /nfs/dbraw/zinc/20/31/68/1314203168.db2.gz KTGLSVNKQPXJNB-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705295 1314203171 /nfs/dbraw/zinc/20/31/71/1314203171.db2.gz KTGLSVNKQPXJNB-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705295 1314203173 /nfs/dbraw/zinc/20/31/73/1314203173.db2.gz KTGLSVNKQPXJNB-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705295 1314203174 /nfs/dbraw/zinc/20/31/74/1314203174.db2.gz KTGLSVNKQPXJNB-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938275 1307940614 /nfs/dbraw/zinc/94/06/14/1307940614.db2.gz WKENKYWGPDVBHW-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938275 1307940617 /nfs/dbraw/zinc/94/06/17/1307940617.db2.gz WKENKYWGPDVBHW-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938275 1307940626 /nfs/dbraw/zinc/94/06/26/1307940626.db2.gz WKENKYWGPDVBHW-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939051 1307941257 /nfs/dbraw/zinc/94/12/57/1307941257.db2.gz TVJNQTWONDOMPF-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939051 1307941263 /nfs/dbraw/zinc/94/12/63/1307941263.db2.gz TVJNQTWONDOMPF-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939051 1307941268 /nfs/dbraw/zinc/94/12/68/1307941268.db2.gz TVJNQTWONDOMPF-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273790 1307951507 /nfs/dbraw/zinc/95/15/07/1307951507.db2.gz AJOKHYFCYJHKHE-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273790 1307951511 /nfs/dbraw/zinc/95/15/11/1307951511.db2.gz AJOKHYFCYJHKHE-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273790 1307951514 /nfs/dbraw/zinc/95/15/14/1307951514.db2.gz AJOKHYFCYJHKHE-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942715 1307955467 /nfs/dbraw/zinc/95/54/67/1307955467.db2.gz XVGFEMLRTYCYRA-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943456 1307958256 /nfs/dbraw/zinc/95/82/56/1307958256.db2.gz IQOUDKCNADILSB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943456 1307958260 /nfs/dbraw/zinc/95/82/60/1307958260.db2.gz IQOUDKCNADILSB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943456 1307958265 /nfs/dbraw/zinc/95/82/65/1307958265.db2.gz IQOUDKCNADILSB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943952 1307959186 /nfs/dbraw/zinc/95/91/86/1307959186.db2.gz SAVHMMHZVMCKDI-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943952 1307959191 /nfs/dbraw/zinc/95/91/91/1307959191.db2.gz SAVHMMHZVMCKDI-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943950 1307959754 /nfs/dbraw/zinc/95/97/54/1307959754.db2.gz SAVHMMHZVMCKDI-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943950 1307959758 /nfs/dbraw/zinc/95/97/58/1307959758.db2.gz SAVHMMHZVMCKDI-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945511 1307964015 /nfs/dbraw/zinc/96/40/15/1307964015.db2.gz UMFABIQPQPQDFC-ICSRJNTNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948729 1307974165 /nfs/dbraw/zinc/97/41/65/1307974165.db2.gz QLVVLBXJQYSASA-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948729 1307974169 /nfs/dbraw/zinc/97/41/69/1307974169.db2.gz QLVVLBXJQYSASA-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948729 1307974172 /nfs/dbraw/zinc/97/41/72/1307974172.db2.gz QLVVLBXJQYSASA-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965358 1308018357 /nfs/dbraw/zinc/01/83/57/1308018357.db2.gz GMAGPLFNLZCSDJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966976 1308024292 /nfs/dbraw/zinc/02/42/92/1308024292.db2.gz KMBFMIMUHVCAEH-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979659 1308062714 /nfs/dbraw/zinc/06/27/14/1308062714.db2.gz JEUVTPZMVMNYKQ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979659 1308062715 /nfs/dbraw/zinc/06/27/15/1308062715.db2.gz JEUVTPZMVMNYKQ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979659 1308062718 /nfs/dbraw/zinc/06/27/18/1308062718.db2.gz JEUVTPZMVMNYKQ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979657 1308063026 /nfs/dbraw/zinc/06/30/26/1308063026.db2.gz JEUVTPZMVMNYKQ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979657 1308063034 /nfs/dbraw/zinc/06/30/34/1308063034.db2.gz JEUVTPZMVMNYKQ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979657 1308063040 /nfs/dbraw/zinc/06/30/40/1308063040.db2.gz JEUVTPZMVMNYKQ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980235 1308066148 /nfs/dbraw/zinc/06/61/48/1308066148.db2.gz UZIGFXMMGRVHHY-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447290 1314230887 /nfs/dbraw/zinc/23/08/87/1314230887.db2.gz ZVYMSBKHCQDPGC-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447290 1314230890 /nfs/dbraw/zinc/23/08/90/1314230890.db2.gz ZVYMSBKHCQDPGC-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447290 1314230893 /nfs/dbraw/zinc/23/08/93/1314230893.db2.gz ZVYMSBKHCQDPGC-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052870990 1314434859 /nfs/dbraw/zinc/43/48/59/1314434859.db2.gz AOTCKGDIQPLJNJ-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052870990 1314434863 /nfs/dbraw/zinc/43/48/63/1314434863.db2.gz AOTCKGDIQPLJNJ-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883726 1314253709 /nfs/dbraw/zinc/25/37/09/1314253709.db2.gz OGQZLOGTTLTWGZ-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932886 1314260763 /nfs/dbraw/zinc/26/07/63/1314260763.db2.gz WFDCSRBGYCXBMM-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179032 1314292636 /nfs/dbraw/zinc/29/26/36/1314292636.db2.gz GHICJUQXMCJBDM-MBOZVWFJSA-N 2 1 347.547 2.900 20 30 EFEDMP N#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1Cl ZINC001210268365 1314306303 /nfs/dbraw/zinc/30/63/03/1314306303.db2.gz ZDMUIVJQMWIXNF-UHFFFAOYSA-N 2 1 331.782 2.899 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703210 1314311486 /nfs/dbraw/zinc/31/14/86/1314311486.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052703210 1314311490 /nfs/dbraw/zinc/31/14/90/1314311490.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052703210 1314311493 /nfs/dbraw/zinc/31/14/93/1314311493.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046951141 1309748570 /nfs/dbraw/zinc/74/85/70/1309748570.db2.gz OWSBIDAAICYKHM-AWEZNQCLSA-N 2 1 348.397 2.516 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958488 1309771892 /nfs/dbraw/zinc/77/18/92/1309771892.db2.gz YYUCYQQYAYMCTD-HNNXBMFYSA-N 2 1 348.397 2.597 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958489 1309772081 /nfs/dbraw/zinc/77/20/81/1309772081.db2.gz YYUCYQQYAYMCTD-OAHLLOKOSA-N 2 1 348.397 2.597 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001210636199 1314365115 /nfs/dbraw/zinc/36/51/15/1314365115.db2.gz NDKGNUDRYZMGMX-GGPKGHCWSA-N 2 1 335.536 2.879 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001210636199 1314365119 /nfs/dbraw/zinc/36/51/19/1314365119.db2.gz NDKGNUDRYZMGMX-GGPKGHCWSA-N 2 1 335.536 2.879 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001210636199 1314365123 /nfs/dbraw/zinc/36/51/23/1314365123.db2.gz NDKGNUDRYZMGMX-GGPKGHCWSA-N 2 1 335.536 2.879 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210646266 1314365981 /nfs/dbraw/zinc/36/59/81/1314365981.db2.gz WJJYQOMYYBZJNJ-OALUTQOASA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225409 1310352617 /nfs/dbraw/zinc/35/26/17/1310352617.db2.gz DIQLOBUXPQPSFV-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231019 1310365813 /nfs/dbraw/zinc/36/58/13/1310365813.db2.gz JJSRKMDHTPQTQQ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047241412 1310392661 /nfs/dbraw/zinc/39/26/61/1310392661.db2.gz CCTNWMOCJZXRFT-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243605 1310397580 /nfs/dbraw/zinc/39/75/80/1310397580.db2.gz LTEGUZWEPBIOOC-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047254431 1310425623 /nfs/dbraw/zinc/42/56/23/1310425623.db2.gz PKTAEDHOEQDXER-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258281 1310435803 /nfs/dbraw/zinc/43/58/03/1310435803.db2.gz YXUMZCRMOHIEBG-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266213 1310460824 /nfs/dbraw/zinc/46/08/24/1310460824.db2.gz TUCWCMIHYDVHSR-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688802 1311013139 /nfs/dbraw/zinc/01/31/39/1311013139.db2.gz PUAJGWCCCWXABV-FRQCXROJSA-N 2 1 338.455 2.835 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787011 1311031893 /nfs/dbraw/zinc/03/18/93/1311031893.db2.gz HAFIMURPGICPDT-RTBURBONSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962763 1311061528 /nfs/dbraw/zinc/06/15/28/1311061528.db2.gz UVCCZMIXAFBIFG-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258841 1311079587 /nfs/dbraw/zinc/07/95/87/1311079587.db2.gz UJMKIPHJDBAPPK-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258841 1311079590 /nfs/dbraw/zinc/07/95/90/1311079590.db2.gz UJMKIPHJDBAPPK-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083755 1311081541 /nfs/dbraw/zinc/08/15/41/1311081541.db2.gz LHWOXOBDKRYULM-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2c1 ZINC001222172480 1311095061 /nfs/dbraw/zinc/09/50/61/1311095061.db2.gz LJNLOPSPWPBIOV-FQEVSTJZSA-N 2 1 337.471 2.952 20 30 EFEDMP N#Cc1ccn2ncc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2c1 ZINC001222172480 1311095064 /nfs/dbraw/zinc/09/50/64/1311095064.db2.gz LJNLOPSPWPBIOV-FQEVSTJZSA-N 2 1 337.471 2.952 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222788903 1311184458 /nfs/dbraw/zinc/18/44/58/1311184458.db2.gz DPANYSQSPNTQPS-KURKYZTESA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228021 /nfs/dbraw/zinc/22/80/21/1311228021.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228025 /nfs/dbraw/zinc/22/80/25/1311228025.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228029 /nfs/dbraw/zinc/22/80/29/1311228029.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461853 1311244034 /nfs/dbraw/zinc/24/40/34/1311244034.db2.gz WMWGEXWVTSCDLA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001276888282 1311256032 /nfs/dbraw/zinc/25/60/32/1311256032.db2.gz VZCLJQMKAOQENF-IZZQQSIFSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001223450342 1311262530 /nfs/dbraw/zinc/26/25/30/1311262530.db2.gz VVVCFLYPSRPFOM-IBGZPJMESA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001223464722 1311263475 /nfs/dbraw/zinc/26/34/75/1311263475.db2.gz ASDLPXGRJJSCKA-WMZOPIPTSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCCC)CC1 ZINC001223494844 1311268661 /nfs/dbraw/zinc/26/86/61/1311268661.db2.gz CLHJXVSGIWVKFX-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCCC)CC1 ZINC001223494844 1311268663 /nfs/dbraw/zinc/26/86/63/1311268663.db2.gz CLHJXVSGIWVKFX-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521973 1311271771 /nfs/dbraw/zinc/27/17/71/1311271771.db2.gz JYFIEICFPNDQJY-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521973 1311271774 /nfs/dbraw/zinc/27/17/74/1311271774.db2.gz JYFIEICFPNDQJY-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521973 1311271776 /nfs/dbraw/zinc/27/17/76/1311271776.db2.gz JYFIEICFPNDQJY-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001223661195 1311288067 /nfs/dbraw/zinc/28/80/67/1311288067.db2.gz MOCNYKFJSBTGPD-QGZVFWFLSA-N 2 1 344.503 2.617 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698228 1311293691 /nfs/dbraw/zinc/29/36/91/1311293691.db2.gz ZOMXQVVJJJUVMB-QYZOEREBSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737839 1311297767 /nfs/dbraw/zinc/29/77/67/1311297767.db2.gz XWTSPDDGIXIHTE-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227078 1311362404 /nfs/dbraw/zinc/36/24/04/1311362404.db2.gz FIKGEOQQLHUBIR-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723892 1311373764 /nfs/dbraw/zinc/37/37/64/1311373764.db2.gz OVNAXBMNXPGRMZ-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723735 1311373908 /nfs/dbraw/zinc/37/39/08/1311373908.db2.gz HCBWENXBWYPYKJ-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768599 1311384691 /nfs/dbraw/zinc/38/46/91/1311384691.db2.gz ZOOUYQGXJWBYNU-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768599 1311384693 /nfs/dbraw/zinc/38/46/93/1311384693.db2.gz ZOOUYQGXJWBYNU-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224576114 1311409913 /nfs/dbraw/zinc/40/99/13/1311409913.db2.gz JCRJGQSPBLJGRM-UHFFFAOYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001224576114 1311409917 /nfs/dbraw/zinc/40/99/17/1311409917.db2.gz JCRJGQSPBLJGRM-UHFFFAOYSA-N 2 1 329.916 2.545 20 30 EFEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949328 1311422724 /nfs/dbraw/zinc/42/27/24/1311422724.db2.gz KLRATUQLUYCLGF-LJQANCHMSA-N 2 1 333.520 2.589 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591720 1311549272 /nfs/dbraw/zinc/54/92/72/1311549272.db2.gz YCSOSUKJNVNZGW-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159628764 1311555425 /nfs/dbraw/zinc/55/54/25/1311555425.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159628764 1311555427 /nfs/dbraw/zinc/55/54/27/1311555427.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159628764 1311555428 /nfs/dbraw/zinc/55/54/28/1311555428.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120020 1311647874 /nfs/dbraw/zinc/64/78/74/1311647874.db2.gz KBVDXUFVEBFEKJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120020 1311647877 /nfs/dbraw/zinc/64/78/77/1311647877.db2.gz KBVDXUFVEBFEKJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120020 1311647879 /nfs/dbraw/zinc/64/78/79/1311647879.db2.gz KBVDXUFVEBFEKJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131321 1311650563 /nfs/dbraw/zinc/65/05/63/1311650563.db2.gz LKRGGRWZUFFKKY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131321 1311650566 /nfs/dbraw/zinc/65/05/66/1311650566.db2.gz LKRGGRWZUFFKKY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131321 1311650569 /nfs/dbraw/zinc/65/05/69/1311650569.db2.gz LKRGGRWZUFFKKY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155454 1311656623 /nfs/dbraw/zinc/65/66/23/1311656623.db2.gz GIFBQJHQFJJWHR-YLJYHZDGSA-N 2 1 345.531 2.821 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360345 1311696875 /nfs/dbraw/zinc/69/68/75/1311696875.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360345 1311696877 /nfs/dbraw/zinc/69/68/77/1311696877.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360345 1311696881 /nfs/dbraw/zinc/69/68/81/1311696881.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491846 1311721405 /nfs/dbraw/zinc/72/14/05/1311721405.db2.gz JPWVNNDOEOCMOK-UHFFFAOYSA-N 2 1 331.504 2.577 20 30 EFEDMP N#Cc1c(Cl)c2ccccc2nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160518500 1311725615 /nfs/dbraw/zinc/72/56/15/1311725615.db2.gz IEKVBILFAIOPDZ-SFHVURJKSA-N 2 1 341.846 2.595 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226878330 1311736266 /nfs/dbraw/zinc/73/62/66/1311736266.db2.gz PUZBDCVIVBVDGX-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160559591 1311736606 /nfs/dbraw/zinc/73/66/06/1311736606.db2.gz LILXAXUYVFKRRB-UHFFFAOYSA-N 2 1 338.455 2.971 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227218712 1311778231 /nfs/dbraw/zinc/77/82/31/1311778231.db2.gz YWCUTJBZUYRMOB-QZTJIDSGSA-N 2 1 333.520 2.680 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464626 1311809058 /nfs/dbraw/zinc/80/90/58/1311809058.db2.gz OHCQZGBZYFXTGW-INIZCTEOSA-N 2 1 332.492 2.943 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277226211 1311832928 /nfs/dbraw/zinc/83/29/28/1311832928.db2.gz RZUXWBUMUAHQCH-YLJYHZDGSA-N 2 1 335.536 2.831 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227729451 1311846870 /nfs/dbraw/zinc/84/68/70/1311846870.db2.gz YVUXQAJCIHIGAF-RTBURBONSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792748 1311856174 /nfs/dbraw/zinc/85/61/74/1311856174.db2.gz UOGRTJRXABJTCI-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525173 1311861197 /nfs/dbraw/zinc/86/11/97/1311861197.db2.gz NYNGTUIXYXCSMN-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525173 1311861200 /nfs/dbraw/zinc/86/12/00/1311861200.db2.gz NYNGTUIXYXCSMN-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525173 1311861202 /nfs/dbraw/zinc/86/12/02/1311861202.db2.gz NYNGTUIXYXCSMN-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCCC)CC1 ZINC001227849208 1311865100 /nfs/dbraw/zinc/86/51/00/1311865100.db2.gz KNSTWQRJYMULDH-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCCC)CC1 ZINC001227849208 1311865102 /nfs/dbraw/zinc/86/51/02/1311865102.db2.gz KNSTWQRJYMULDH-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048531590 1311869460 /nfs/dbraw/zinc/86/94/60/1311869460.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531590 1311869462 /nfs/dbraw/zinc/86/94/62/1311869462.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531590 1311869465 /nfs/dbraw/zinc/86/94/65/1311869465.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533113 1311872773 /nfs/dbraw/zinc/87/27/73/1311872773.db2.gz QCFAATHGFBGAPN-MHORFTMASA-N 2 1 342.487 2.696 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533113 1311872774 /nfs/dbraw/zinc/87/27/74/1311872774.db2.gz QCFAATHGFBGAPN-MHORFTMASA-N 2 1 342.487 2.696 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533655 1311873136 /nfs/dbraw/zinc/87/31/36/1311873136.db2.gz ISFWYMABEDHLNK-GSEOLPGOSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533655 1311873139 /nfs/dbraw/zinc/87/31/39/1311873139.db2.gz ISFWYMABEDHLNK-GSEOLPGOSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533655 1311873141 /nfs/dbraw/zinc/87/31/41/1311873141.db2.gz ISFWYMABEDHLNK-GSEOLPGOSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533656 1311873195 /nfs/dbraw/zinc/87/31/95/1311873195.db2.gz ISFWYMABEDHLNK-RNQOJCNYSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533656 1311873198 /nfs/dbraw/zinc/87/31/98/1311873198.db2.gz ISFWYMABEDHLNK-RNQOJCNYSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533656 1311873202 /nfs/dbraw/zinc/87/32/02/1311873202.db2.gz ISFWYMABEDHLNK-RNQOJCNYSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537454 1311877397 /nfs/dbraw/zinc/87/73/97/1311877397.db2.gz BJVOIFOKUCTUNX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048537454 1311877401 /nfs/dbraw/zinc/87/74/01/1311877401.db2.gz BJVOIFOKUCTUNX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048537454 1311877405 /nfs/dbraw/zinc/87/74/05/1311877405.db2.gz BJVOIFOKUCTUNX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538501 1311878946 /nfs/dbraw/zinc/87/89/46/1311878946.db2.gz XMRSBNZUDPZRSX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538501 1311878949 /nfs/dbraw/zinc/87/89/49/1311878949.db2.gz XMRSBNZUDPZRSX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538501 1311878951 /nfs/dbraw/zinc/87/89/51/1311878951.db2.gz XMRSBNZUDPZRSX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472083 1311896245 /nfs/dbraw/zinc/89/62/45/1311896245.db2.gz JUOGYAWUWBUZKD-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491732 1311899984 /nfs/dbraw/zinc/89/99/84/1311899984.db2.gz MJHVLFAAIRVLHD-IBGZPJMESA-N 2 1 333.520 2.515 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553546 1311914173 /nfs/dbraw/zinc/91/41/73/1311914173.db2.gz FCKKOZYXVJINFC-UHFFFAOYSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216165 1311916548 /nfs/dbraw/zinc/91/65/48/1311916548.db2.gz SZEKXHASSQAZLM-BHIYHBOVSA-N 2 1 344.503 2.737 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570474 1311917315 /nfs/dbraw/zinc/91/73/15/1311917315.db2.gz PMQGFDAOGYDMHO-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570474 1311917317 /nfs/dbraw/zinc/91/73/17/1311917317.db2.gz PMQGFDAOGYDMHO-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570474 1311917320 /nfs/dbraw/zinc/91/73/20/1311917320.db2.gz PMQGFDAOGYDMHO-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570475 1311917677 /nfs/dbraw/zinc/91/76/77/1311917677.db2.gz PMQGFDAOGYDMHO-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570475 1311917679 /nfs/dbraw/zinc/91/76/79/1311917679.db2.gz PMQGFDAOGYDMHO-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570475 1311917683 /nfs/dbraw/zinc/91/76/83/1311917683.db2.gz PMQGFDAOGYDMHO-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570658 1311918487 /nfs/dbraw/zinc/91/84/87/1311918487.db2.gz UEPBTELESDDCLA-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570658 1311918490 /nfs/dbraw/zinc/91/84/90/1311918490.db2.gz UEPBTELESDDCLA-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570658 1311918493 /nfs/dbraw/zinc/91/84/93/1311918493.db2.gz UEPBTELESDDCLA-UJWQCDCRSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578390 1311927577 /nfs/dbraw/zinc/92/75/77/1311927577.db2.gz PEXMVNRUZBQEHW-GGPHIMKMSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698715 1311953464 /nfs/dbraw/zinc/95/34/64/1311953464.db2.gz AQRCPJPWXGKLJC-PKOBYXMFSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161698715 1311953465 /nfs/dbraw/zinc/95/34/65/1311953465.db2.gz AQRCPJPWXGKLJC-PKOBYXMFSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161698715 1311953466 /nfs/dbraw/zinc/95/34/66/1311953466.db2.gz AQRCPJPWXGKLJC-PKOBYXMFSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623743 1311971741 /nfs/dbraw/zinc/97/17/41/1311971741.db2.gz JMJYDQGTNDFVLL-HUUCEWRRSA-N 2 1 329.916 2.734 20 30 EFEDMP N#Cc1ccc(-c2cccs2)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161871432 1311991487 /nfs/dbraw/zinc/99/14/87/1311991487.db2.gz ZXJYKOZNRCTBHA-UHFFFAOYSA-N 2 1 327.457 2.517 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C[C@@H](C)CC)CC2)CC1 ZINC001161947098 1312010794 /nfs/dbraw/zinc/01/07/94/1312010794.db2.gz XVLGFKVDOPDFEY-SFHVURJKSA-N 2 1 345.531 2.516 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161947022 1312011347 /nfs/dbraw/zinc/01/13/47/1312011347.db2.gz SCZHDTLNRYKRKU-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994241 1312024418 /nfs/dbraw/zinc/02/44/18/1312024418.db2.gz WGVCOXQNSJPHNM-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001229193278 1312060127 /nfs/dbraw/zinc/06/01/27/1312060127.db2.gz IOUINXGIYSPTBA-LJQANCHMSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229208674 1312061948 /nfs/dbraw/zinc/06/19/48/1312061948.db2.gz LGXAYVNWUUMTKR-WBVHZDCISA-N 2 1 344.503 2.689 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001229615409 1312120089 /nfs/dbraw/zinc/12/00/89/1312120089.db2.gz JKIHGBUPDAJTGH-QRVBRYPASA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820615 1312165543 /nfs/dbraw/zinc/16/55/43/1312165543.db2.gz MEOPSKZKVIEOLL-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820615 1312165547 /nfs/dbraw/zinc/16/55/47/1312165547.db2.gz MEOPSKZKVIEOLL-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820615 1312165551 /nfs/dbraw/zinc/16/55/51/1312165551.db2.gz MEOPSKZKVIEOLL-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821209 1312165791 /nfs/dbraw/zinc/16/57/91/1312165791.db2.gz VQFWVTZCZHXFMC-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821209 1312165792 /nfs/dbraw/zinc/16/57/92/1312165792.db2.gz VQFWVTZCZHXFMC-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821209 1312165793 /nfs/dbraw/zinc/16/57/93/1312165793.db2.gz VQFWVTZCZHXFMC-QRVBRYPASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862123 1312204588 /nfs/dbraw/zinc/20/45/88/1312204588.db2.gz QJKODVUFMNDOPD-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862123 1312204590 /nfs/dbraw/zinc/20/45/90/1312204590.db2.gz QJKODVUFMNDOPD-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862123 1312204594 /nfs/dbraw/zinc/20/45/94/1312204594.db2.gz QJKODVUFMNDOPD-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001162929259 1312206160 /nfs/dbraw/zinc/20/61/60/1312206160.db2.gz UUQCNPCVAUDHPF-IBGZPJMESA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006240 1312224619 /nfs/dbraw/zinc/22/46/19/1312224619.db2.gz ARFCZXWYCTXGNA-UHFFFAOYSA-N 2 1 331.504 2.564 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001230438503 1312242781 /nfs/dbraw/zinc/24/27/81/1312242781.db2.gz STWAJARZJOFKAT-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001230438503 1312242784 /nfs/dbraw/zinc/24/27/84/1312242784.db2.gz STWAJARZJOFKAT-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001163111860 1312243815 /nfs/dbraw/zinc/24/38/15/1312243815.db2.gz XOJCYXHVAZSNTI-RSPOEFSDSA-N 2 1 327.472 2.656 20 30 EFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230516180 1312251589 /nfs/dbraw/zinc/25/15/89/1312251589.db2.gz OYLFJACWEXJIHU-MRXNPFEDSA-N 2 1 333.395 2.670 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591775 1312276093 /nfs/dbraw/zinc/27/60/93/1312276093.db2.gz JEHBKIJIFNWCGD-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592113 1312276774 /nfs/dbraw/zinc/27/67/74/1312276774.db2.gz RQYZOQOXGGJPMQ-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278301 /nfs/dbraw/zinc/27/83/01/1312278301.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278302 /nfs/dbraw/zinc/27/83/02/1312278302.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278304 /nfs/dbraw/zinc/27/83/04/1312278304.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230610671 1312282211 /nfs/dbraw/zinc/28/22/11/1312282211.db2.gz GKOASAZFJQPBEI-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230610671 1312282214 /nfs/dbraw/zinc/28/22/14/1312282214.db2.gz GKOASAZFJQPBEI-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230610670 1312282550 /nfs/dbraw/zinc/28/25/50/1312282550.db2.gz GKOASAZFJQPBEI-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230610670 1312282552 /nfs/dbraw/zinc/28/25/52/1312282552.db2.gz GKOASAZFJQPBEI-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230613195 1312284139 /nfs/dbraw/zinc/28/41/39/1312284139.db2.gz MBNTVFGOCFWXKQ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230613195 1312284143 /nfs/dbraw/zinc/28/41/43/1312284143.db2.gz MBNTVFGOCFWXKQ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230613195 1312284146 /nfs/dbraw/zinc/28/41/46/1312284146.db2.gz MBNTVFGOCFWXKQ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617925 1312286076 /nfs/dbraw/zinc/28/60/76/1312286076.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617925 1312286079 /nfs/dbraw/zinc/28/60/79/1312286079.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617925 1312286083 /nfs/dbraw/zinc/28/60/83/1312286083.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230623555 1312288362 /nfs/dbraw/zinc/28/83/62/1312288362.db2.gz ZSSPGTFRTJGJBQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230623555 1312288364 /nfs/dbraw/zinc/28/83/64/1312288364.db2.gz ZSSPGTFRTJGJBQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230631191 1312290846 /nfs/dbraw/zinc/29/08/46/1312290846.db2.gz YESUTOYIVDUZDM-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003278 1312348257 /nfs/dbraw/zinc/34/82/57/1312348257.db2.gz GGSGIRDFEXQDJB-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003278 1312348261 /nfs/dbraw/zinc/34/82/61/1312348261.db2.gz GGSGIRDFEXQDJB-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003278 1312348265 /nfs/dbraw/zinc/34/82/65/1312348265.db2.gz GGSGIRDFEXQDJB-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829912 1312361385 /nfs/dbraw/zinc/36/13/85/1312361385.db2.gz RBTNXWOLNXEDIQ-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846276 1312369084 /nfs/dbraw/zinc/36/90/84/1312369084.db2.gz CMLBKQPNTRXKRF-UHFFFAOYSA-N 2 1 346.519 2.554 20 30 EFEDMP C=CC[N@@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846276 1312369086 /nfs/dbraw/zinc/36/90/86/1312369086.db2.gz CMLBKQPNTRXKRF-UHFFFAOYSA-N 2 1 346.519 2.554 20 30 EFEDMP C=CC[N@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846276 1312369090 /nfs/dbraw/zinc/36/90/90/1312369090.db2.gz CMLBKQPNTRXKRF-UHFFFAOYSA-N 2 1 346.519 2.554 20 30 EFEDMP Cc1ccc(CC#N)c(N2CCC(COCC[NH+]3CCCC3)CC2)[nH+]1 ZINC001163883303 1312401669 /nfs/dbraw/zinc/40/16/69/1312401669.db2.gz OZJLQGPTNRBMPS-UHFFFAOYSA-N 2 1 342.487 2.785 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097956 1312453655 /nfs/dbraw/zinc/45/36/55/1312453655.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097956 1312453658 /nfs/dbraw/zinc/45/36/58/1312453658.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097956 1312453661 /nfs/dbraw/zinc/45/36/61/1312453661.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114329 1312473030 /nfs/dbraw/zinc/47/30/30/1312473030.db2.gz DYNZSPOMPSPRGC-BGYRXZFFSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531137 1312533693 /nfs/dbraw/zinc/53/36/93/1312533693.db2.gz AHQLIQOKNDYSCR-QZTJIDSGSA-N 2 1 333.520 2.703 20 30 EFEDMP C#Cc1cccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001231654657 1312541278 /nfs/dbraw/zinc/54/12/78/1312541278.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001231654657 1312541282 /nfs/dbraw/zinc/54/12/82/1312541282.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001231654657 1312541286 /nfs/dbraw/zinc/54/12/86/1312541286.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001165545211 1312645542 /nfs/dbraw/zinc/64/55/42/1312645542.db2.gz GARHCXHPTCFSBD-OALUTQOASA-N 2 1 347.547 2.642 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001165545211 1312645547 /nfs/dbraw/zinc/64/55/47/1312645547.db2.gz GARHCXHPTCFSBD-OALUTQOASA-N 2 1 347.547 2.642 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211338366 1314479199 /nfs/dbraw/zinc/47/91/99/1314479199.db2.gz ZNEMYCGIZNQZNV-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)CC2)CC1 ZINC001052953733 1314513675 /nfs/dbraw/zinc/51/36/75/1314513675.db2.gz GYLMBDNOWQKPRB-HXUWFJFHSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958827 1314518889 /nfs/dbraw/zinc/51/88/89/1314518889.db2.gz PQTMOTYGRIWHPL-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965784 1314523730 /nfs/dbraw/zinc/52/37/30/1314523730.db2.gz APOMRUJDSSKDOH-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052989743 1314546013 /nfs/dbraw/zinc/54/60/13/1314546013.db2.gz UKXPBEAEKJVDGT-HDICACEKSA-N 2 1 333.520 2.747 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052989743 1314546018 /nfs/dbraw/zinc/54/60/18/1314546018.db2.gz UKXPBEAEKJVDGT-HDICACEKSA-N 2 1 333.520 2.747 20 30 EFEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001245989511 1314560430 /nfs/dbraw/zinc/56/04/30/1314560430.db2.gz WYXWITQTDSDVCW-CEXWTWQISA-N 2 1 326.525 2.989 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246024616 1314567718 /nfs/dbraw/zinc/56/77/18/1314567718.db2.gz PGXFKGCVTUYIFY-GOSISDBHSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246030405 1314569775 /nfs/dbraw/zinc/56/97/75/1314569775.db2.gz SGNHQZFBRBWIMN-RTBURBONSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030784 1314570198 /nfs/dbraw/zinc/57/01/98/1314570198.db2.gz YXKYVASPYCESTH-MOPGFXCFSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030784 1314570201 /nfs/dbraw/zinc/57/02/01/1314570201.db2.gz YXKYVASPYCESTH-MOPGFXCFSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246050490 1314574220 /nfs/dbraw/zinc/57/42/20/1314574220.db2.gz WXVXQFUUACSAIZ-WOJBJXKFSA-N 2 1 339.568 2.985 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246050489 1314574317 /nfs/dbraw/zinc/57/43/17/1314574317.db2.gz WXVXQFUUACSAIZ-VQTJNVASSA-N 2 1 339.568 2.985 20 30 EFEDMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246152325 1314589801 /nfs/dbraw/zinc/58/98/01/1314589801.db2.gz NQXHYKPRFKSYSO-ACBHZAAOSA-N 2 1 343.471 2.845 20 30 EFEDMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246154465 1314590632 /nfs/dbraw/zinc/59/06/32/1314590632.db2.gz YDEBOTZDOBTRNM-FDYSRKEFSA-N 2 1 343.471 2.651 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027825 1314598453 /nfs/dbraw/zinc/59/84/53/1314598453.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027825 1314598457 /nfs/dbraw/zinc/59/84/57/1314598457.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027825 1314598462 /nfs/dbraw/zinc/59/84/62/1314598462.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600208 /nfs/dbraw/zinc/60/02/08/1314600208.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600210 /nfs/dbraw/zinc/60/02/10/1314600210.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600213 /nfs/dbraw/zinc/60/02/13/1314600213.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600216 /nfs/dbraw/zinc/60/02/16/1314600216.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036956 1314615931 /nfs/dbraw/zinc/61/59/31/1314615931.db2.gz SHWGSXYPDUPFBK-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C[C@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442885 1314629664 /nfs/dbraw/zinc/62/96/64/1314629664.db2.gz QVALJSNHBRCWFH-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442885 1314629667 /nfs/dbraw/zinc/62/96/67/1314629667.db2.gz QVALJSNHBRCWFH-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443005 1314629700 /nfs/dbraw/zinc/62/97/00/1314629700.db2.gz SCTXAEZWPMHAQJ-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443005 1314629703 /nfs/dbraw/zinc/62/97/03/1314629703.db2.gz SCTXAEZWPMHAQJ-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442884 1314629730 /nfs/dbraw/zinc/62/97/30/1314629730.db2.gz QVALJSNHBRCWFH-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442884 1314629734 /nfs/dbraw/zinc/62/97/34/1314629734.db2.gz QVALJSNHBRCWFH-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049878 1314635130 /nfs/dbraw/zinc/63/51/30/1314635130.db2.gz ATIRLOFGQLXCRK-OALUTQOASA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050120 1314636614 /nfs/dbraw/zinc/63/66/14/1314636614.db2.gz COPCWOXXKKXQGB-UXHICEINSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246524834 1314642341 /nfs/dbraw/zinc/64/23/41/1314642341.db2.gz HWKYBUFRTFUNSE-SJORKVTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246524833 1314642535 /nfs/dbraw/zinc/64/25/35/1314642535.db2.gz HWKYBUFRTFUNSE-IRXDYDNUSA-N 2 1 335.492 2.628 20 30 EFEDMP CC[C@H]1CC([NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](CC)[NH2+]1 ZINC001246532361 1314642885 /nfs/dbraw/zinc/64/28/85/1314642885.db2.gz ZABWZDCBGVUBDJ-ROUUACIJSA-N 2 1 326.488 2.989 20 30 EFEDMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](CC)[NH2+]1 ZINC001246532360 1314643261 /nfs/dbraw/zinc/64/32/61/1314643261.db2.gz ZABWZDCBGVUBDJ-REPLKXPHSA-N 2 1 326.488 2.989 20 30 EFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561628 1314649496 /nfs/dbraw/zinc/64/94/96/1314649496.db2.gz RJKBQPGUQFRXEF-MHJFOBGBSA-N 2 1 345.462 2.705 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[NH2+]CC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246681114 1314669755 /nfs/dbraw/zinc/66/97/55/1314669755.db2.gz GZGFSHBDICKMNP-DYUPNXQLSA-N 2 1 346.515 2.986 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088195 1314695844 /nfs/dbraw/zinc/69/58/44/1314695844.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088195 1314695848 /nfs/dbraw/zinc/69/58/48/1314695848.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088195 1314695850 /nfs/dbraw/zinc/69/58/50/1314695850.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093008 1314703074 /nfs/dbraw/zinc/70/30/74/1314703074.db2.gz UPHMYAYHGAMACL-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093008 1314703081 /nfs/dbraw/zinc/70/30/81/1314703081.db2.gz UPHMYAYHGAMACL-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094579 1314707031 /nfs/dbraw/zinc/70/70/31/1314707031.db2.gz GBNKHCYEHCKKHH-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096056 1314707917 /nfs/dbraw/zinc/70/79/17/1314707917.db2.gz OMIOXOUVHHOKTI-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096053 1314707981 /nfs/dbraw/zinc/70/79/81/1314707981.db2.gz OMIOXOUVHHOKTI-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006143 1314730190 /nfs/dbraw/zinc/73/01/90/1314730190.db2.gz TXNLXTHIIAYXRB-IAGOWNOFSA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006143 1314730193 /nfs/dbraw/zinc/73/01/93/1314730193.db2.gz TXNLXTHIIAYXRB-IAGOWNOFSA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006140 1314730233 /nfs/dbraw/zinc/73/02/33/1314730233.db2.gz TXNLXTHIIAYXRB-DLBZAZTESA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006140 1314730239 /nfs/dbraw/zinc/73/02/39/1314730239.db2.gz TXNLXTHIIAYXRB-DLBZAZTESA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162073 1314792111 /nfs/dbraw/zinc/79/21/11/1314792111.db2.gz IMJSWDIXXNSXNN-SOLBZPMBSA-N 2 1 344.503 2.553 20 30 EFEDMP N#Cc1cc(Cl)c(-c2noc([C@H]([NH3+])CCC[NH3+])n2)cc1Cl ZINC001247507682 1314794716 /nfs/dbraw/zinc/79/47/16/1314794716.db2.gz MOVNZMHBPVKNKQ-LLVKDONJSA-N 2 1 326.187 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248071 1314818003 /nfs/dbraw/zinc/81/80/03/1314818003.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248071 1314818006 /nfs/dbraw/zinc/81/80/06/1314818006.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248071 1314818008 /nfs/dbraw/zinc/81/80/08/1314818008.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1cccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904489 1314863993 /nfs/dbraw/zinc/86/39/93/1314863993.db2.gz HFEWNMOGQFMVQN-MRXNPFEDSA-N 2 1 337.427 2.540 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216349228 1314943054 /nfs/dbraw/zinc/94/30/54/1314943054.db2.gz VLFWMCMDQFTQNL-ZTFGCOKTSA-N 2 1 349.906 2.868 20 30 EFEDMP CCc1cc(C#N)ccc1C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001248751880 1314958372 /nfs/dbraw/zinc/95/83/72/1314958372.db2.gz NUKVNLVDCZOQOP-UHFFFAOYSA-N 2 1 342.531 2.970 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218207797 1315164114 /nfs/dbraw/zinc/16/41/14/1315164114.db2.gz UJEDOTUCBZMWPP-FQEVSTJZSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218207797 1315164117 /nfs/dbraw/zinc/16/41/17/1315164117.db2.gz UJEDOTUCBZMWPP-FQEVSTJZSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133952 1315345034 /nfs/dbraw/zinc/34/50/34/1315345034.db2.gz QOWIYUOHUDOMCT-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054134457 1315345729 /nfs/dbraw/zinc/34/57/29/1315345729.db2.gz DVERMYRXMQCLCO-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054134457 1315345733 /nfs/dbraw/zinc/34/57/33/1315345733.db2.gz DVERMYRXMQCLCO-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054134457 1315345736 /nfs/dbraw/zinc/34/57/36/1315345736.db2.gz DVERMYRXMQCLCO-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054139533 1315353457 /nfs/dbraw/zinc/35/34/57/1315353457.db2.gz OUMPYXBFMKJVKD-LJQANCHMSA-N 2 1 347.528 2.924 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141385 1315357015 /nfs/dbraw/zinc/35/70/15/1315357015.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141385 1315357020 /nfs/dbraw/zinc/35/70/20/1315357020.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141385 1315357023 /nfs/dbraw/zinc/35/70/23/1315357023.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145364 1315363858 /nfs/dbraw/zinc/36/38/58/1315363858.db2.gz ODTJLEUJDHKKFL-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145364 1315363862 /nfs/dbraw/zinc/36/38/62/1315363862.db2.gz ODTJLEUJDHKKFL-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145364 1315363865 /nfs/dbraw/zinc/36/38/65/1315363865.db2.gz ODTJLEUJDHKKFL-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153608 1315378931 /nfs/dbraw/zinc/37/89/31/1315378931.db2.gz UYJCSERSVNWSCS-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153608 1315378933 /nfs/dbraw/zinc/37/89/33/1315378933.db2.gz UYJCSERSVNWSCS-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153608 1315378936 /nfs/dbraw/zinc/37/89/36/1315378936.db2.gz UYJCSERSVNWSCS-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159144 1315386834 /nfs/dbraw/zinc/38/68/34/1315386834.db2.gz SZSNKPNVPVRNSR-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159144 1315386837 /nfs/dbraw/zinc/38/68/37/1315386837.db2.gz SZSNKPNVPVRNSR-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159144 1315386840 /nfs/dbraw/zinc/38/68/40/1315386840.db2.gz SZSNKPNVPVRNSR-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160118 1315388328 /nfs/dbraw/zinc/38/83/28/1315388328.db2.gz WBBUBSKHSBRMPH-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170178 1315404180 /nfs/dbraw/zinc/40/41/80/1315404180.db2.gz CIBCLXYAMYATAO-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182612 1315422519 /nfs/dbraw/zinc/42/25/19/1315422519.db2.gz NYHSDTDYPGZIKW-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182612 1315422523 /nfs/dbraw/zinc/42/25/23/1315422523.db2.gz NYHSDTDYPGZIKW-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182612 1315422526 /nfs/dbraw/zinc/42/25/26/1315422526.db2.gz NYHSDTDYPGZIKW-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197536 1315440992 /nfs/dbraw/zinc/44/09/92/1315440992.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197536 1315440996 /nfs/dbraw/zinc/44/09/96/1315440996.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197536 1315441000 /nfs/dbraw/zinc/44/10/00/1315441000.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474222 1315453676 /nfs/dbraw/zinc/45/36/76/1315453676.db2.gz WTIUPJRDXZAUDC-RTWAWAEBSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252474222 1315453678 /nfs/dbraw/zinc/45/36/78/1315453678.db2.gz WTIUPJRDXZAUDC-RTWAWAEBSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252474222 1315453683 /nfs/dbraw/zinc/45/36/83/1315453683.db2.gz WTIUPJRDXZAUDC-RTWAWAEBSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209114 1315459182 /nfs/dbraw/zinc/45/91/82/1315459182.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209114 1315459186 /nfs/dbraw/zinc/45/91/86/1315459186.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209114 1315459190 /nfs/dbraw/zinc/45/91/90/1315459190.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209628 1315460941 /nfs/dbraw/zinc/46/09/41/1315460941.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209628 1315460943 /nfs/dbraw/zinc/46/09/43/1315460943.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209628 1315460945 /nfs/dbraw/zinc/46/09/45/1315460945.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001252547080 1315466026 /nfs/dbraw/zinc/46/60/26/1315466026.db2.gz DQKMCMUIHHWEIR-SFHVURJKSA-N 2 1 333.476 2.659 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001252547080 1315466029 /nfs/dbraw/zinc/46/60/29/1315466029.db2.gz DQKMCMUIHHWEIR-SFHVURJKSA-N 2 1 333.476 2.659 20 30 EFEDMP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001221010635 1315470921 /nfs/dbraw/zinc/47/09/21/1315470921.db2.gz MSQHVBGIEKVKJI-NQIIRXRSSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225844 1315483522 /nfs/dbraw/zinc/48/35/22/1315483522.db2.gz FZTGQAVVCHUHNJ-OAQYLSRUSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227255 1315486048 /nfs/dbraw/zinc/48/60/48/1315486048.db2.gz FZLDUEVDVFAOTO-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227255 1315486051 /nfs/dbraw/zinc/48/60/51/1315486051.db2.gz FZLDUEVDVFAOTO-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227255 1315486054 /nfs/dbraw/zinc/48/60/54/1315486054.db2.gz FZLDUEVDVFAOTO-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233711 1315497605 /nfs/dbraw/zinc/49/76/05/1315497605.db2.gz QOBCTHYKMHPDFY-IBGZPJMESA-N 2 1 330.476 2.541 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233712 1315497702 /nfs/dbraw/zinc/49/77/02/1315497702.db2.gz QOBCTHYKMHPDFY-LJQANCHMSA-N 2 1 330.476 2.541 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243739 1315513769 /nfs/dbraw/zinc/51/37/69/1315513769.db2.gz NDVCZDQKYFLGLL-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244827 1315514861 /nfs/dbraw/zinc/51/48/61/1315514861.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244827 1315514865 /nfs/dbraw/zinc/51/48/65/1315514865.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244827 1315514868 /nfs/dbraw/zinc/51/48/68/1315514868.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244841 1315515014 /nfs/dbraw/zinc/51/50/14/1315515014.db2.gz JSUPHUMABIYJCV-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245541 1315516922 /nfs/dbraw/zinc/51/69/22/1315516922.db2.gz VGDJFZSYFOQZTQ-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134468 1315518282 /nfs/dbraw/zinc/51/82/82/1315518282.db2.gz PRLCLWZJDFQSQG-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039134491 1315518486 /nfs/dbraw/zinc/51/84/86/1315518486.db2.gz QPTUGYPOEDVBOA-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134491 1315518489 /nfs/dbraw/zinc/51/84/89/1315518489.db2.gz QPTUGYPOEDVBOA-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134491 1315518494 /nfs/dbraw/zinc/51/84/94/1315518494.db2.gz QPTUGYPOEDVBOA-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140233 1315528284 /nfs/dbraw/zinc/52/82/84/1315528284.db2.gz RBAHEEMVYUPUAC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140233 1315528287 /nfs/dbraw/zinc/52/82/87/1315528287.db2.gz RBAHEEMVYUPUAC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140233 1315528290 /nfs/dbraw/zinc/52/82/90/1315528290.db2.gz RBAHEEMVYUPUAC-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139796 1315528419 /nfs/dbraw/zinc/52/84/19/1315528419.db2.gz JWKFYUHPWNKERG-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139796 1315528423 /nfs/dbraw/zinc/52/84/23/1315528423.db2.gz JWKFYUHPWNKERG-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139796 1315528426 /nfs/dbraw/zinc/52/84/26/1315528426.db2.gz JWKFYUHPWNKERG-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139799 1315528899 /nfs/dbraw/zinc/52/88/99/1315528899.db2.gz JWKFYUHPWNKERG-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139799 1315528902 /nfs/dbraw/zinc/52/89/02/1315528902.db2.gz JWKFYUHPWNKERG-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139799 1315528906 /nfs/dbraw/zinc/52/89/06/1315528906.db2.gz JWKFYUHPWNKERG-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145234 1315537807 /nfs/dbraw/zinc/53/78/07/1315537807.db2.gz XJAHRHTXOLJFDI-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP N#Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948063 1315539790 /nfs/dbraw/zinc/53/97/90/1315539790.db2.gz JHZSJWCZCSZFJH-FGZHOGPDSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948063 1315539792 /nfs/dbraw/zinc/53/97/92/1315539792.db2.gz JHZSJWCZCSZFJH-FGZHOGPDSA-N 2 1 347.462 2.772 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039151995 1315545395 /nfs/dbraw/zinc/54/53/95/1315545395.db2.gz QIIBUHINFUFSCD-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151995 1315545398 /nfs/dbraw/zinc/54/53/98/1315545398.db2.gz QIIBUHINFUFSCD-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151995 1315545402 /nfs/dbraw/zinc/54/54/02/1315545402.db2.gz QIIBUHINFUFSCD-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039151993 1315546189 /nfs/dbraw/zinc/54/61/89/1315546189.db2.gz QIIBUHINFUFSCD-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151993 1315546193 /nfs/dbraw/zinc/54/61/93/1315546193.db2.gz QIIBUHINFUFSCD-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151993 1315546197 /nfs/dbraw/zinc/54/61/97/1315546197.db2.gz QIIBUHINFUFSCD-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039154679 1315550214 /nfs/dbraw/zinc/55/02/14/1315550214.db2.gz DQMJYMIRSXDUAS-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555246 /nfs/dbraw/zinc/55/52/46/1315555246.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555249 /nfs/dbraw/zinc/55/52/49/1315555249.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555251 /nfs/dbraw/zinc/55/52/51/1315555251.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001221616330 1315563946 /nfs/dbraw/zinc/56/39/46/1315563946.db2.gz JYCUZXACTCAGEM-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001221616330 1315563950 /nfs/dbraw/zinc/56/39/50/1315563950.db2.gz JYCUZXACTCAGEM-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001221616330 1315563954 /nfs/dbraw/zinc/56/39/54/1315563954.db2.gz JYCUZXACTCAGEM-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616927 1315564830 /nfs/dbraw/zinc/56/48/30/1315564830.db2.gz WONOCZXQBLMHFW-QZTJIDSGSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565189 /nfs/dbraw/zinc/56/51/89/1315565189.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565195 /nfs/dbraw/zinc/56/51/95/1315565195.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565199 /nfs/dbraw/zinc/56/51/99/1315565199.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCCC)C[C@H]21 ZINC001221626105 1315565685 /nfs/dbraw/zinc/56/56/85/1315565685.db2.gz QOUBGGBGXGKKIW-HSALFYBXSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCCC)C[C@H]21 ZINC001221626105 1315565688 /nfs/dbraw/zinc/56/56/88/1315565688.db2.gz QOUBGGBGXGKKIW-HSALFYBXSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCCC)C[C@H]21 ZINC001221626105 1315565691 /nfs/dbraw/zinc/56/56/91/1315565691.db2.gz QOUBGGBGXGKKIW-HSALFYBXSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCCC)C[C@H]21 ZINC001221626105 1315565693 /nfs/dbraw/zinc/56/56/93/1315565693.db2.gz QOUBGGBGXGKKIW-HSALFYBXSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039183131 1315591218 /nfs/dbraw/zinc/59/12/18/1315591218.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183131 1315591222 /nfs/dbraw/zinc/59/12/22/1315591222.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183131 1315591225 /nfs/dbraw/zinc/59/12/25/1315591225.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001253577747 1315616079 /nfs/dbraw/zinc/61/60/79/1315616079.db2.gz PLPAVTPEUOOVPW-SFHVURJKSA-N 2 1 330.472 2.530 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204693 1315617326 /nfs/dbraw/zinc/61/73/26/1315617326.db2.gz AAJZIUOIENYCGV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204693 1315617327 /nfs/dbraw/zinc/61/73/27/1315617327.db2.gz AAJZIUOIENYCGV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204693 1315617329 /nfs/dbraw/zinc/61/73/29/1315617329.db2.gz AAJZIUOIENYCGV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3nccn32)C1 ZINC001039216685 1315635847 /nfs/dbraw/zinc/63/58/47/1315635847.db2.gz QOTPDOZFYGJJGG-SJORKVTESA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039275899 1315697787 /nfs/dbraw/zinc/69/77/87/1315697787.db2.gz CXYKXECPOFNSQC-HDDXRBDOSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039278380 1315698814 /nfs/dbraw/zinc/69/88/14/1315698814.db2.gz GAHGIJCEFCSNEA-IPQPSQTFSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039283421 1315701336 /nfs/dbraw/zinc/70/13/36/1315701336.db2.gz UQNUUIDTYMKJJZ-AKBNIOSXSA-N 2 1 339.911 2.581 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039286267 1315702184 /nfs/dbraw/zinc/70/21/84/1315702184.db2.gz LMYJZGVRZBILBC-MSRNWOCLSA-N 2 1 333.520 2.939 20 30 EFEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001254507612 1315712140 /nfs/dbraw/zinc/71/21/40/1315712140.db2.gz DEVVSXJNQZSCJX-IBGZPJMESA-N 2 1 326.488 2.597 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039313905 1315714907 /nfs/dbraw/zinc/71/49/07/1315714907.db2.gz WUOHBXCRKKHASK-NXEWRWPSSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157763 1315745730 /nfs/dbraw/zinc/74/57/30/1315745730.db2.gz LAKQRNCQUOHHPF-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039385182 1315755154 /nfs/dbraw/zinc/75/51/54/1315755154.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385182 1315755156 /nfs/dbraw/zinc/75/51/56/1315755156.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385182 1315755159 /nfs/dbraw/zinc/75/51/59/1315755159.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410819 1315773481 /nfs/dbraw/zinc/77/34/81/1315773481.db2.gz AQKRBUAKYQFTNQ-AABGKKOBSA-N 2 1 345.531 2.892 20 30 EFEDMP CC[C@H](CC#N)[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001255172300 1315786961 /nfs/dbraw/zinc/78/69/61/1315786961.db2.gz MSHIMLHKLMRZPY-LJQANCHMSA-N 2 1 342.487 2.688 20 30 EFEDMP CC[C@H](CC#N)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255172300 1315786963 /nfs/dbraw/zinc/78/69/63/1315786963.db2.gz MSHIMLHKLMRZPY-LJQANCHMSA-N 2 1 342.487 2.688 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447804 1315797565 /nfs/dbraw/zinc/79/75/65/1315797565.db2.gz KPVDRYWSDKUKHW-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766404 1315809938 /nfs/dbraw/zinc/80/99/38/1315809938.db2.gz XPTBEGOMQWKSRO-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C[NH+]1CCC(C#N)(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255393444 1315815773 /nfs/dbraw/zinc/81/57/73/1315815773.db2.gz QMTMXTSNCCTZNE-IBGZPJMESA-N 2 1 326.488 2.619 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039475024 1315818274 /nfs/dbraw/zinc/81/82/74/1315818274.db2.gz ZPQKCSPNISTNIA-AABGKKOBSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039475024 1315818277 /nfs/dbraw/zinc/81/82/77/1315818277.db2.gz ZPQKCSPNISTNIA-AABGKKOBSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001255674223 1315856074 /nfs/dbraw/zinc/85/60/74/1315856074.db2.gz NDMOPBVFKLUVMB-JWTNVVGKSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052427479 1315945889 /nfs/dbraw/zinc/94/58/89/1315945889.db2.gz ZMHTXRWMKPKHHN-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652216 1315975712 /nfs/dbraw/zinc/97/57/12/1315975712.db2.gz VTRSACUZDGCLRJ-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652216 1315975717 /nfs/dbraw/zinc/97/57/17/1315975717.db2.gz VTRSACUZDGCLRJ-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652216 1315975720 /nfs/dbraw/zinc/97/57/20/1315975720.db2.gz VTRSACUZDGCLRJ-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP N#Cc1ccc2c(c1)CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256690078 1315982037 /nfs/dbraw/zinc/98/20/37/1315982037.db2.gz FPHSJWHXKLTZJK-UHFFFAOYSA-N 2 1 325.456 2.560 20 30 EFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C#N)CC1)C2 ZINC001256966654 1316015714 /nfs/dbraw/zinc/01/57/14/1316015714.db2.gz MNLNIEGSLNIYEC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256966654 1316015718 /nfs/dbraw/zinc/01/57/18/1316015718.db2.gz MNLNIEGSLNIYEC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256966654 1316015720 /nfs/dbraw/zinc/01/57/20/1316015720.db2.gz MNLNIEGSLNIYEC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP N#CC1CCC([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001256968838 1316016425 /nfs/dbraw/zinc/01/64/25/1316016425.db2.gz PBAACRDAMRATOK-XUUQEUKMSA-N 2 1 331.504 2.892 20 30 EFEDMP N#Cc1ccc(C2CCC([NH2+]C3CC[NH+](CCO)CC3)CC2)cc1 ZINC001257010837 1316021209 /nfs/dbraw/zinc/02/12/09/1316021209.db2.gz JPVPWJAWRKNILB-UHFFFAOYSA-N 2 1 327.472 2.631 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001257213994 1316047653 /nfs/dbraw/zinc/04/76/53/1316047653.db2.gz YEBMICNBXMMIJX-UHFFFAOYSA-N 2 1 335.492 2.580 20 30 EFEDMP CC(C)C[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001258016949 1316110770 /nfs/dbraw/zinc/11/07/70/1316110770.db2.gz OTLKPQUQNMQTKM-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP CC(C)C[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001258016949 1316110771 /nfs/dbraw/zinc/11/07/71/1316110771.db2.gz OTLKPQUQNMQTKM-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199976 1316139547 /nfs/dbraw/zinc/13/95/47/1316139547.db2.gz DIOYOXXKMMVXDL-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199976 1316139549 /nfs/dbraw/zinc/13/95/49/1316139549.db2.gz DIOYOXXKMMVXDL-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199976 1316139550 /nfs/dbraw/zinc/13/95/50/1316139550.db2.gz DIOYOXXKMMVXDL-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP COC(=O)CC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360458 1316142841 /nfs/dbraw/zinc/14/28/41/1316142841.db2.gz DSDCHMAIBHFWFA-SNRMKQJTSA-N 2 1 343.471 2.972 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240772 1316160762 /nfs/dbraw/zinc/16/07/62/1316160762.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240772 1316160763 /nfs/dbraw/zinc/16/07/63/1316160763.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240772 1316160764 /nfs/dbraw/zinc/16/07/64/1316160764.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242520 1316162272 /nfs/dbraw/zinc/16/22/72/1316162272.db2.gz YQFUDPCOASZIGG-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258717632 1316173038 /nfs/dbraw/zinc/17/30/38/1316173038.db2.gz VOUYHGJKZAVZLT-BBWFWOEESA-N 2 1 337.508 2.872 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258717632 1316173042 /nfs/dbraw/zinc/17/30/42/1316173042.db2.gz VOUYHGJKZAVZLT-BBWFWOEESA-N 2 1 337.508 2.872 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264577 1316174077 /nfs/dbraw/zinc/17/40/77/1316174077.db2.gz PQUGKGTVNPTCEV-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264577 1316174079 /nfs/dbraw/zinc/17/40/79/1316174079.db2.gz PQUGKGTVNPTCEV-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264577 1316174080 /nfs/dbraw/zinc/17/40/80/1316174080.db2.gz PQUGKGTVNPTCEV-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771710 1316176941 /nfs/dbraw/zinc/17/69/41/1316176941.db2.gz QGGMXAIBDYWTLF-FQEVSTJZSA-N 2 1 349.519 2.971 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276551 1316179777 /nfs/dbraw/zinc/17/97/77/1316179777.db2.gz NKYAYODVPOJDBO-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276551 1316179779 /nfs/dbraw/zinc/17/97/79/1316179779.db2.gz NKYAYODVPOJDBO-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276551 1316179782 /nfs/dbraw/zinc/17/97/82/1316179782.db2.gz NKYAYODVPOJDBO-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295606 1316189457 /nfs/dbraw/zinc/18/94/57/1316189457.db2.gz GMAATUJKMCZFLF-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312260 1316196992 /nfs/dbraw/zinc/19/69/92/1316196992.db2.gz AQZXAKNIMGDERT-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355312 1316219002 /nfs/dbraw/zinc/21/90/02/1316219002.db2.gz ANCNXZVPXFIVNR-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422727 1316255939 /nfs/dbraw/zinc/25/59/39/1316255939.db2.gz NTQOXXVYBPVPBW-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422727 1316255940 /nfs/dbraw/zinc/25/59/40/1316255940.db2.gz NTQOXXVYBPVPBW-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432262 1316261960 /nfs/dbraw/zinc/26/19/60/1316261960.db2.gz NNKAAKLCUPJXKH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432262 1316261962 /nfs/dbraw/zinc/26/19/62/1316261962.db2.gz NNKAAKLCUPJXKH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432262 1316261966 /nfs/dbraw/zinc/26/19/66/1316261966.db2.gz NNKAAKLCUPJXKH-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432252 1316262262 /nfs/dbraw/zinc/26/22/62/1316262262.db2.gz NNKAAKLCUPJXKH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432252 1316262263 /nfs/dbraw/zinc/26/22/63/1316262263.db2.gz NNKAAKLCUPJXKH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432252 1316262265 /nfs/dbraw/zinc/26/22/65/1316262265.db2.gz NNKAAKLCUPJXKH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432256 1316262298 /nfs/dbraw/zinc/26/22/98/1316262298.db2.gz NNKAAKLCUPJXKH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432256 1316262301 /nfs/dbraw/zinc/26/23/01/1316262301.db2.gz NNKAAKLCUPJXKH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432256 1316262302 /nfs/dbraw/zinc/26/23/02/1316262302.db2.gz NNKAAKLCUPJXKH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432997 1316262827 /nfs/dbraw/zinc/26/28/27/1316262827.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432997 1316262830 /nfs/dbraw/zinc/26/28/30/1316262830.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432997 1316262834 /nfs/dbraw/zinc/26/28/34/1316262834.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040433181 1316263705 /nfs/dbraw/zinc/26/37/05/1316263705.db2.gz UHQZPBRIZHTYIW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040494038 1316292837 /nfs/dbraw/zinc/29/28/37/1316292837.db2.gz SYQLKTSQADUYPS-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040494038 1316292839 /nfs/dbraw/zinc/29/28/39/1316292839.db2.gz SYQLKTSQADUYPS-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040515139 1316303350 /nfs/dbraw/zinc/30/33/50/1316303350.db2.gz ZRMHYRVNKNYKMU-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001040515139 1316303354 /nfs/dbraw/zinc/30/33/54/1316303354.db2.gz ZRMHYRVNKNYKMU-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001040515139 1316303356 /nfs/dbraw/zinc/30/33/56/1316303356.db2.gz ZRMHYRVNKNYKMU-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545438 1316316503 /nfs/dbraw/zinc/31/65/03/1316316503.db2.gz QBUVWVIWBKFBES-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040701384 1316354832 /nfs/dbraw/zinc/35/48/32/1316354832.db2.gz JHVPGFHWOQGTGJ-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040705402 1316355472 /nfs/dbraw/zinc/35/54/72/1316355472.db2.gz HUFSXLVQBKTQKG-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040722173 1316359683 /nfs/dbraw/zinc/35/96/83/1316359683.db2.gz OUPYEQXSYBTCTA-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040745552 1316365257 /nfs/dbraw/zinc/36/52/57/1316365257.db2.gz OEARKRPDRHLDLU-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746141 1316365532 /nfs/dbraw/zinc/36/55/32/1316365532.db2.gz WJTVNJLBHSEPKJ-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875119 1316394880 /nfs/dbraw/zinc/39/48/80/1316394880.db2.gz RYIUCXSCEDQCEP-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882173 1316396501 /nfs/dbraw/zinc/39/65/01/1316396501.db2.gz ACSPWTZEVTULEW-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948572 1316409569 /nfs/dbraw/zinc/40/95/69/1316409569.db2.gz UPYBNDINCXCYMH-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCSCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261600905 1316420881 /nfs/dbraw/zinc/42/08/81/1316420881.db2.gz WCNLEVJZHLVCMK-UHFFFAOYSA-N 2 1 337.508 2.976 20 30 EFEDMP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001261789508 1316431039 /nfs/dbraw/zinc/43/10/39/1316431039.db2.gz FYQVJANEDSJVLL-LJQANCHMSA-N 2 1 332.463 2.851 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276166 1316498862 /nfs/dbraw/zinc/49/88/62/1316498862.db2.gz HOHBZSABAUNAJF-AEFFLSMTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276166 1316498865 /nfs/dbraw/zinc/49/88/65/1316498865.db2.gz HOHBZSABAUNAJF-AEFFLSMTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276166 1316498867 /nfs/dbraw/zinc/49/88/67/1316498867.db2.gz HOHBZSABAUNAJF-AEFFLSMTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276166 1316498870 /nfs/dbraw/zinc/49/88/70/1316498870.db2.gz HOHBZSABAUNAJF-AEFFLSMTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276245 1316499129 /nfs/dbraw/zinc/49/91/29/1316499129.db2.gz JOYXWMORCQLZND-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276245 1316499131 /nfs/dbraw/zinc/49/91/31/1316499131.db2.gz JOYXWMORCQLZND-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276245 1316499134 /nfs/dbraw/zinc/49/91/34/1316499134.db2.gz JOYXWMORCQLZND-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715576 1316660007 /nfs/dbraw/zinc/66/00/07/1316660007.db2.gz HFDYPBYBWJGELK-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715576 1316660009 /nfs/dbraw/zinc/66/00/09/1316660009.db2.gz HFDYPBYBWJGELK-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725141 1316668098 /nfs/dbraw/zinc/66/80/98/1316668098.db2.gz KSWIGRHCUAWLSE-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767695 1316688549 /nfs/dbraw/zinc/68/85/49/1316688549.db2.gz KSKOAIRHWHNCOB-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782183 1316696387 /nfs/dbraw/zinc/69/63/87/1316696387.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782183 1316696389 /nfs/dbraw/zinc/69/63/89/1316696389.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782183 1316696390 /nfs/dbraw/zinc/69/63/90/1316696390.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844647 1316730959 /nfs/dbraw/zinc/73/09/59/1316730959.db2.gz BUVRFOVDQZTVKW-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844582 1316730970 /nfs/dbraw/zinc/73/09/70/1316730970.db2.gz LLGQPMZEJCYCAR-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846060 1316732074 /nfs/dbraw/zinc/73/20/74/1316732074.db2.gz WJVOEVGTXBPNKN-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845572 1316732080 /nfs/dbraw/zinc/73/20/80/1316732080.db2.gz IRXLTMBXYXDNNB-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847130 1316732837 /nfs/dbraw/zinc/73/28/37/1316732837.db2.gz JHEYONFZVMXIRV-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847130 1316732839 /nfs/dbraw/zinc/73/28/39/1316732839.db2.gz JHEYONFZVMXIRV-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062762 1316852443 /nfs/dbraw/zinc/85/24/43/1316852443.db2.gz OPPSJOKOMUDXAF-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186187 1316940167 /nfs/dbraw/zinc/94/01/67/1316940167.db2.gz DRYMYKSFZBRYNY-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042203708 1316955795 /nfs/dbraw/zinc/95/57/95/1316955795.db2.gz OMXUSUQESIUNNL-WMZOPIPTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042203708 1316955802 /nfs/dbraw/zinc/95/58/02/1316955802.db2.gz OMXUSUQESIUNNL-WMZOPIPTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234208 1316998450 /nfs/dbraw/zinc/99/84/50/1316998450.db2.gz LBJHJQMQLLXYMC-UYAOXDASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042257048 1317044721 /nfs/dbraw/zinc/04/47/21/1317044721.db2.gz CPNNVCDPZOMHAD-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042257048 1317044728 /nfs/dbraw/zinc/04/47/28/1317044728.db2.gz CPNNVCDPZOMHAD-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296979 1317108825 /nfs/dbraw/zinc/10/88/25/1317108825.db2.gz KDOQLPVWHOWPAV-PKOBYXMFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042307889 1317129598 /nfs/dbraw/zinc/12/95/98/1317129598.db2.gz QEHBEYCSXVQXJV-QUCCMNQESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042363986 1317215980 /nfs/dbraw/zinc/21/59/80/1317215980.db2.gz BBLYKUCOBPVDMC-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365840 1317218815 /nfs/dbraw/zinc/21/88/15/1317218815.db2.gz RCQXROJKQDCPAQ-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279301440 1317230429 /nfs/dbraw/zinc/23/04/29/1317230429.db2.gz HTRVOYVJIWPEJR-UHFFFAOYSA-N 2 1 347.462 2.867 20 30 EFEDMP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC001325871033 1329718003 /nfs/dbraw/zinc/71/80/03/1329718003.db2.gz LULBBXGWIWIBEB-LJQANCHMSA-N 2 1 342.487 2.987 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001335985997 1331424320 /nfs/dbraw/zinc/42/43/20/1331424320.db2.gz HYUDIZMDKMQSKV-KRWDZBQOSA-N 2 1 340.389 2.816 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570364 1332268884 /nfs/dbraw/zinc/26/88/84/1332268884.db2.gz XNGYHBFJNXDEHR-MOPGFXCFSA-N 2 1 329.488 2.698 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001341696742 1332277461 /nfs/dbraw/zinc/27/74/61/1332277461.db2.gz LXUAHASFSXMVFI-CRAIPNDOSA-N 2 1 331.460 2.702 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001343560731 1332357882 /nfs/dbraw/zinc/35/78/82/1332357882.db2.gz OWNOTBZQKXKUMJ-MJGOQNOKSA-N 2 1 329.488 2.793 20 30 EFEDMP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001343664877 1332367876 /nfs/dbraw/zinc/36/78/76/1332367876.db2.gz GACHCGATPYWJFW-QZTJIDSGSA-N 2 1 332.492 2.632 20 30 EFEDMP C=C(C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001346895124 1332701235 /nfs/dbraw/zinc/70/12/35/1332701235.db2.gz JVOSLFIKISYPDM-UHFFFAOYSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751020 1333438602 /nfs/dbraw/zinc/43/86/02/1333438602.db2.gz GJOAZQQBYDBHDT-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756701 1333446836 /nfs/dbraw/zinc/44/68/36/1333446836.db2.gz IMTRLGPFNLGQOI-IBGZPJMESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002047127 1333988037 /nfs/dbraw/zinc/98/80/37/1333988037.db2.gz VPVVKIWDRSNBJC-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643189 1334258362 /nfs/dbraw/zinc/25/83/62/1334258362.db2.gz ATNJFRYWHWBSTJ-INIZCTEOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602110 1334382326 /nfs/dbraw/zinc/38/23/26/1334382326.db2.gz TYXRXAKZJNSRKT-TVPLGVNVSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606398 1334391840 /nfs/dbraw/zinc/39/18/40/1334391840.db2.gz CAZQIJMAXITCSL-BMHOQUIDSA-N 2 1 335.536 2.948 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849050174 1335057611 /nfs/dbraw/zinc/05/76/11/1335057611.db2.gz PUFUGVAGBIBYOQ-GOSISDBHSA-N 2 1 340.471 2.857 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570785 1335316829 /nfs/dbraw/zinc/31/68/29/1335316829.db2.gz OZFKADNGEMVWAX-NEWSRXKRSA-N 2 1 329.488 2.697 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001366074074 1337365908 /nfs/dbraw/zinc/36/59/08/1337365908.db2.gz CCVCWRZVSIDZGR-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234590 1337468089 /nfs/dbraw/zinc/46/80/89/1337468089.db2.gz XDAOOTLPEPIBDR-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366854305 1338121432 /nfs/dbraw/zinc/12/14/32/1338121432.db2.gz SNYUSKRLLNTFMO-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001366854305 1338121440 /nfs/dbraw/zinc/12/14/40/1338121440.db2.gz SNYUSKRLLNTFMO-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001366854305 1338121445 /nfs/dbraw/zinc/12/14/45/1338121445.db2.gz SNYUSKRLLNTFMO-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001366854305 1338121448 /nfs/dbraw/zinc/12/14/48/1338121448.db2.gz SNYUSKRLLNTFMO-SFHVURJKSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368234058 1339278171 /nfs/dbraw/zinc/27/81/71/1339278171.db2.gz VLZOPVCJFOTAKG-WBVHZDCISA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368234058 1339278174 /nfs/dbraw/zinc/27/81/74/1339278174.db2.gz VLZOPVCJFOTAKG-WBVHZDCISA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001373063231 1340889076 /nfs/dbraw/zinc/88/90/76/1340889076.db2.gz OZHJGUCZHRNWOD-QGZVFWFLSA-N 2 1 347.890 2.814 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001374374673 1341823044 /nfs/dbraw/zinc/82/30/44/1341823044.db2.gz WLDSARPPSWEOIC-MRXNPFEDSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376614815 1343722144 /nfs/dbraw/zinc/72/21/44/1343722144.db2.gz CLLIGHXVPFTPKM-CVEARBPZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614815 1343722146 /nfs/dbraw/zinc/72/21/46/1343722146.db2.gz CLLIGHXVPFTPKM-CVEARBPZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614815 1343722148 /nfs/dbraw/zinc/72/21/48/1343722148.db2.gz CLLIGHXVPFTPKM-CVEARBPZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001377768070 1344416308 /nfs/dbraw/zinc/41/63/08/1344416308.db2.gz WCKDPAPTNPDSFS-QGZVFWFLSA-N 2 1 349.906 2.895 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001393857355 1357215987 /nfs/dbraw/zinc/21/59/87/1357215987.db2.gz ZDWQPOBFBRCXGF-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001393857355 1357215994 /nfs/dbraw/zinc/21/59/94/1357215994.db2.gz ZDWQPOBFBRCXGF-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001393857355 1357215999 /nfs/dbraw/zinc/21/59/99/1357215999.db2.gz ZDWQPOBFBRCXGF-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001378470010 1345104065 /nfs/dbraw/zinc/10/40/65/1345104065.db2.gz QIJPDOUBWSFQJZ-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001379181914 1345645767 /nfs/dbraw/zinc/64/57/67/1345645767.db2.gz VPWZGFKGRCLTFM-CABCVRRESA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001418722150 1374415236 /nfs/dbraw/zinc/41/52/36/1374415236.db2.gz QWPPHEPTJNZFOL-INIZCTEOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001418722150 1374415240 /nfs/dbraw/zinc/41/52/40/1374415240.db2.gz QWPPHEPTJNZFOL-INIZCTEOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001379674612 1347249643 /nfs/dbraw/zinc/24/96/43/1347249643.db2.gz IOECMCQWKYANDZ-GJZGRUSLSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001380436924 1347670108 /nfs/dbraw/zinc/67/01/08/1347670108.db2.gz GABYQCWKTAGCOK-LJQANCHMSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001380436924 1347670110 /nfs/dbraw/zinc/67/01/10/1347670110.db2.gz GABYQCWKTAGCOK-LJQANCHMSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391361347 1355125762 /nfs/dbraw/zinc/12/57/62/1355125762.db2.gz XWXDMSQHVGMRSE-OAHLLOKOSA-N 2 1 346.862 2.789 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001391363090 1355128647 /nfs/dbraw/zinc/12/86/47/1355128647.db2.gz OJKJPILILVRJHQ-MRXNPFEDSA-N 2 1 347.906 2.589 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060705 1387390338 /nfs/dbraw/zinc/39/03/38/1387390338.db2.gz SOMDBXJINRVAGX-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001397136362 1359698452 /nfs/dbraw/zinc/69/84/52/1359698452.db2.gz NCOVXHZABYTUGA-SZMVWBNQSA-N 2 1 349.906 2.916 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001401297662 1362644104 /nfs/dbraw/zinc/64/41/04/1362644104.db2.gz PFFXUMZXNOPRAQ-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001402442074 1363695547 /nfs/dbraw/zinc/69/55/47/1363695547.db2.gz USGMDYGWJXPVEL-YYIAUSFCSA-N 2 1 341.927 2.684 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809776 1364056905 /nfs/dbraw/zinc/05/69/05/1364056905.db2.gz CRLQVKYEVYKKKK-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809776 1364056908 /nfs/dbraw/zinc/05/69/08/1364056908.db2.gz CRLQVKYEVYKKKK-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001402890156 1364113024 /nfs/dbraw/zinc/11/30/24/1364113024.db2.gz KYCMUKMNKUZBFB-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001403283016 1364497530 /nfs/dbraw/zinc/49/75/30/1364497530.db2.gz OLFKRMVKFJTQJC-ZWKOTPCHSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001403283016 1364497532 /nfs/dbraw/zinc/49/75/32/1364497532.db2.gz OLFKRMVKFJTQJC-ZWKOTPCHSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001404375135 1365481796 /nfs/dbraw/zinc/48/17/96/1365481796.db2.gz KJSDUYPNURGBPJ-SJORKVTESA-N 2 1 337.895 2.772 20 30 EFEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001405534147 1366276151 /nfs/dbraw/zinc/27/61/51/1366276151.db2.gz BILKERPZJAUMRN-KRWDZBQOSA-N 2 1 335.879 2.629 20 30 EFEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001407020555 1368335512 /nfs/dbraw/zinc/33/55/12/1368335512.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001407020555 1368335515 /nfs/dbraw/zinc/33/55/15/1368335515.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001407020555 1368335525 /nfs/dbraw/zinc/33/55/25/1368335525.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026468 1368344791 /nfs/dbraw/zinc/34/47/91/1368344791.db2.gz JQZSVEJCXPZFRB-FUHWJXTLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026468 1368344798 /nfs/dbraw/zinc/34/47/98/1368344798.db2.gz JQZSVEJCXPZFRB-FUHWJXTLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001418551423 1374166091 /nfs/dbraw/zinc/16/60/91/1374166091.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001418722150 1374415223 /nfs/dbraw/zinc/41/52/23/1374415223.db2.gz QWPPHEPTJNZFOL-INIZCTEOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001418722150 1374415232 /nfs/dbraw/zinc/41/52/32/1374415232.db2.gz QWPPHEPTJNZFOL-INIZCTEOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418903236 1374661868 /nfs/dbraw/zinc/66/18/68/1374661868.db2.gz CQRJHPDOAURFHX-MRXNPFEDSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418903236 1374661872 /nfs/dbraw/zinc/66/18/72/1374661872.db2.gz CQRJHPDOAURFHX-MRXNPFEDSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001421732888 1379051723 /nfs/dbraw/zinc/05/17/23/1379051723.db2.gz SVYVBITZUKBUNY-PBHICJAKSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001423385208 1381887335 /nfs/dbraw/zinc/88/73/35/1381887335.db2.gz YFHXQLZSAPDOPX-GOSISDBHSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001423385208 1381887339 /nfs/dbraw/zinc/88/73/39/1381887339.db2.gz YFHXQLZSAPDOPX-GOSISDBHSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001424562167 1383110270 /nfs/dbraw/zinc/11/02/70/1383110270.db2.gz WONMIVZUCGREIW-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001424562167 1383110274 /nfs/dbraw/zinc/11/02/74/1383110274.db2.gz WONMIVZUCGREIW-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480083703 1398119112 /nfs/dbraw/zinc/11/91/12/1398119112.db2.gz GYYSFTDUDJESPK-MRXNPFEDSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480083703 1398119104 /nfs/dbraw/zinc/11/91/04/1398119104.db2.gz GYYSFTDUDJESPK-MRXNPFEDSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480083703 1398119107 /nfs/dbraw/zinc/11/91/07/1398119107.db2.gz GYYSFTDUDJESPK-MRXNPFEDSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001494194695 1399202370 /nfs/dbraw/zinc/20/23/70/1399202370.db2.gz AQDQIIGDGKKASY-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001494194695 1399202372 /nfs/dbraw/zinc/20/23/72/1399202372.db2.gz AQDQIIGDGKKASY-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865575 1401060616 /nfs/dbraw/zinc/06/06/16/1401060616.db2.gz XQORXWNZUQOBNN-JKSUJKDBSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865575 1401060624 /nfs/dbraw/zinc/06/06/24/1401060624.db2.gz XQORXWNZUQOBNN-JKSUJKDBSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865575 1401060630 /nfs/dbraw/zinc/06/06/30/1401060630.db2.gz XQORXWNZUQOBNN-JKSUJKDBSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001500428701 1403116091 /nfs/dbraw/zinc/11/60/91/1403116091.db2.gz OPCBLHGSBYKURX-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001503691271 1404500357 /nfs/dbraw/zinc/50/03/57/1404500357.db2.gz LLGXKOOTBNYLMA-RBUKOAKNSA-N 2 1 329.488 2.618 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698552403 1417302516 /nfs/dbraw/zinc/30/25/16/1417302516.db2.gz JNUBVOWNAJOEMJ-IEBWSBKVSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001716715272 1418970582 /nfs/dbraw/zinc/97/05/82/1418970582.db2.gz RJONONGYVMIGPE-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723199 717892162 /nfs/dbraw/zinc/89/21/62/717892162.db2.gz SMLADAYKYBRQTB-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723197 717892251 /nfs/dbraw/zinc/89/22/51/717892251.db2.gz SMLADAYKYBRQTB-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000383177166 713070189 /nfs/dbraw/zinc/07/01/89/713070189.db2.gz OVYZUAUQLBSZMX-IRXDYDNUSA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000383177166 713070192 /nfs/dbraw/zinc/07/01/92/713070192.db2.gz OVYZUAUQLBSZMX-IRXDYDNUSA-N 2 1 337.508 2.615 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502341 713087993 /nfs/dbraw/zinc/08/79/93/713087993.db2.gz JAZXEHVIMGRTTO-ZOBUZTSGSA-N 2 1 339.911 2.773 20 30 EFEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679594 713214336 /nfs/dbraw/zinc/21/43/36/713214336.db2.gz HAJHYDBRRAJEIF-DLBZAZTESA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039132930 713469228 /nfs/dbraw/zinc/46/92/28/713469228.db2.gz DCDXXXUIMYXCDC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039132930 713469230 /nfs/dbraw/zinc/46/92/30/713469230.db2.gz DCDXXXUIMYXCDC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326240 713636519 /nfs/dbraw/zinc/63/65/19/713636519.db2.gz OLYLJAVHTDFIAT-LPHOPBHVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970453539 713721618 /nfs/dbraw/zinc/72/16/18/713721618.db2.gz TZTSNDXLACNKPJ-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980216143 717929111 /nfs/dbraw/zinc/92/91/11/717929111.db2.gz QNIANKLTLDOITF-ULQDDVLXSA-N 2 1 342.487 2.554 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241557 714153751 /nfs/dbraw/zinc/15/37/51/714153751.db2.gz CLOPBCZJWMWFFD-WOJBJXKFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669940 714271519 /nfs/dbraw/zinc/27/15/19/714271519.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669940 714271523 /nfs/dbraw/zinc/27/15/23/714271523.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669940 714271525 /nfs/dbraw/zinc/27/15/25/714271525.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681751 714295542 /nfs/dbraw/zinc/29/55/42/714295542.db2.gz JFZIPWQYLMOIBQ-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681751 714295545 /nfs/dbraw/zinc/29/55/45/714295545.db2.gz JFZIPWQYLMOIBQ-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700435 714333103 /nfs/dbraw/zinc/33/31/03/714333103.db2.gz PVIQCSWXGHIBSG-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738507 714399051 /nfs/dbraw/zinc/39/90/51/714399051.db2.gz BQRMJCCWJMCWPZ-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845641 714479478 /nfs/dbraw/zinc/47/94/78/714479478.db2.gz LILIURFMFSXCEB-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845641 714479479 /nfs/dbraw/zinc/47/94/79/714479479.db2.gz LILIURFMFSXCEB-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845641 714479482 /nfs/dbraw/zinc/47/94/82/714479482.db2.gz LILIURFMFSXCEB-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845641 714479484 /nfs/dbraw/zinc/47/94/84/714479484.db2.gz LILIURFMFSXCEB-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542134 714701115 /nfs/dbraw/zinc/70/11/15/714701115.db2.gz ZIZVAJMEYFGGJP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542134 714701117 /nfs/dbraw/zinc/70/11/17/714701117.db2.gz ZIZVAJMEYFGGJP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542134 714701119 /nfs/dbraw/zinc/70/11/19/714701119.db2.gz ZIZVAJMEYFGGJP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681719 714882318 /nfs/dbraw/zinc/88/23/18/714882318.db2.gz GBVJCOCIUOKCFI-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971681719 714882320 /nfs/dbraw/zinc/88/23/20/714882320.db2.gz GBVJCOCIUOKCFI-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971681719 714882323 /nfs/dbraw/zinc/88/23/23/714882323.db2.gz GBVJCOCIUOKCFI-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971681719 714882326 /nfs/dbraw/zinc/88/23/26/714882326.db2.gz GBVJCOCIUOKCFI-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615450 718027729 /nfs/dbraw/zinc/02/77/29/718027729.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370182 /nfs/dbraw/zinc/37/01/82/715370182.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370187 /nfs/dbraw/zinc/37/01/87/715370187.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370189 /nfs/dbraw/zinc/37/01/89/715370189.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973527 715387964 /nfs/dbraw/zinc/38/79/64/715387964.db2.gz JSMFAYKSGHIBPW-AEFFLSMTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973527 715387968 /nfs/dbraw/zinc/38/79/68/715387968.db2.gz JSMFAYKSGHIBPW-AEFFLSMTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979402 715394478 /nfs/dbraw/zinc/39/44/78/715394478.db2.gz VNWINOZSZKRBNJ-INIZCTEOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979402 715394484 /nfs/dbraw/zinc/39/44/84/715394484.db2.gz VNWINOZSZKRBNJ-INIZCTEOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975065541 715466703 /nfs/dbraw/zinc/46/67/03/715466703.db2.gz UIFIWEDCBHDGEZ-LJQANCHMSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975105466 715498257 /nfs/dbraw/zinc/49/82/57/715498257.db2.gz UVPXJUPCSOTBQA-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975105466 715498258 /nfs/dbraw/zinc/49/82/58/715498258.db2.gz UVPXJUPCSOTBQA-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947507326 715689395 /nfs/dbraw/zinc/68/93/95/715689395.db2.gz WSDYHDBZGLMGNY-DOTOQJQBSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409026 715699636 /nfs/dbraw/zinc/69/96/36/715699636.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409026 715699637 /nfs/dbraw/zinc/69/96/37/715699637.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409026 715699638 /nfs/dbraw/zinc/69/96/38/715699638.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027409026 715699639 /nfs/dbraw/zinc/69/96/39/715699639.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027409026 715699640 /nfs/dbraw/zinc/69/96/40/715699640.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430749 715774877 /nfs/dbraw/zinc/77/48/77/715774877.db2.gz WZXXTVZYWUTUAI-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434504 715791753 /nfs/dbraw/zinc/79/17/53/715791753.db2.gz RNMGEECIGONACF-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027434504 715791756 /nfs/dbraw/zinc/79/17/56/715791756.db2.gz RNMGEECIGONACF-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027434504 715791759 /nfs/dbraw/zinc/79/17/59/715791759.db2.gz RNMGEECIGONACF-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027434504 715791761 /nfs/dbraw/zinc/79/17/61/715791761.db2.gz RNMGEECIGONACF-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443423 715817122 /nfs/dbraw/zinc/81/71/22/715817122.db2.gz LSOLQHUPCCVBFW-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027443423 715817127 /nfs/dbraw/zinc/81/71/27/715817127.db2.gz LSOLQHUPCCVBFW-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027443423 715817132 /nfs/dbraw/zinc/81/71/32/715817132.db2.gz LSOLQHUPCCVBFW-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027446644 715832360 /nfs/dbraw/zinc/83/23/60/715832360.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027446644 715832365 /nfs/dbraw/zinc/83/23/65/715832365.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027446644 715832372 /nfs/dbraw/zinc/83/23/72/715832372.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027446644 715832378 /nfs/dbraw/zinc/83/23/78/715832378.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027446644 715832385 /nfs/dbraw/zinc/83/23/85/715832385.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027446645 715832432 /nfs/dbraw/zinc/83/24/32/715832432.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027446645 715832436 /nfs/dbraw/zinc/83/24/36/715832436.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027446645 715832444 /nfs/dbraw/zinc/83/24/44/715832444.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027446645 715832450 /nfs/dbraw/zinc/83/24/50/715832450.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027446645 715832455 /nfs/dbraw/zinc/83/24/55/715832455.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](CC)C(C)C)c1 ZINC000303991475 724442488 /nfs/dbraw/zinc/44/24/88/724442488.db2.gz ZLJCLXPAGOKJBL-UHFFFAOYSA-N 2 1 336.480 2.941 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977430711 716214562 /nfs/dbraw/zinc/21/45/62/716214562.db2.gz TUSTYTVKCURVRF-SFHVURJKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647317 716306183 /nfs/dbraw/zinc/30/61/83/716306183.db2.gz NMAMFBFSLIPSQY-UYAOXDASSA-N 2 1 329.488 2.572 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646329 716313460 /nfs/dbraw/zinc/31/34/60/716313460.db2.gz FKUUKVISETXPOP-CTNGQTDRSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641283 716432776 /nfs/dbraw/zinc/43/27/76/716432776.db2.gz NDGIMRXBNIOGKM-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977648551 716440526 /nfs/dbraw/zinc/44/05/26/716440526.db2.gz ANKKOPLNCJGABN-GOSISDBHSA-N 2 1 345.487 2.585 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654941 716446655 /nfs/dbraw/zinc/44/66/55/716446655.db2.gz NJEJAKAVQOMPJG-LJQANCHMSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694099 716547562 /nfs/dbraw/zinc/54/75/62/716547562.db2.gz RVOAROTZBRSEDF-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694099 716547567 /nfs/dbraw/zinc/54/75/67/716547567.db2.gz RVOAROTZBRSEDF-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508316 716557598 /nfs/dbraw/zinc/55/75/98/716557598.db2.gz NTLAFKIBVBVEQG-SFHVURJKSA-N 2 1 343.515 2.809 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553260 716618376 /nfs/dbraw/zinc/61/83/76/716618376.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553260 716618379 /nfs/dbraw/zinc/61/83/79/716618379.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553260 716618381 /nfs/dbraw/zinc/61/83/81/716618381.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557546 716619030 /nfs/dbraw/zinc/61/90/30/716619030.db2.gz ZNXJRTPZHKXGSV-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557546 716619032 /nfs/dbraw/zinc/61/90/32/716619032.db2.gz ZNXJRTPZHKXGSV-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557546 716619035 /nfs/dbraw/zinc/61/90/35/716619035.db2.gz ZNXJRTPZHKXGSV-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557547 716619143 /nfs/dbraw/zinc/61/91/43/716619143.db2.gz ZNXJRTPZHKXGSV-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557547 716619146 /nfs/dbraw/zinc/61/91/46/716619146.db2.gz ZNXJRTPZHKXGSV-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557547 716619151 /nfs/dbraw/zinc/61/91/51/716619151.db2.gz ZNXJRTPZHKXGSV-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023586127 716662378 /nfs/dbraw/zinc/66/23/78/716662378.db2.gz UVGVJYMTAZGJMF-HZPDHXFCSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023586127 716662381 /nfs/dbraw/zinc/66/23/81/716662381.db2.gz UVGVJYMTAZGJMF-HZPDHXFCSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979074045 716705234 /nfs/dbraw/zinc/70/52/34/716705234.db2.gz BUXZOQBDTWCLMA-OWZKRDHZSA-N 2 1 341.499 2.622 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027577282 716717600 /nfs/dbraw/zinc/71/76/00/716717600.db2.gz IFJKREXGMNEQSZ-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678435 716807088 /nfs/dbraw/zinc/80/70/88/716807088.db2.gz VZMMCKPILGFLOL-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678435 716807092 /nfs/dbraw/zinc/80/70/92/716807092.db2.gz VZMMCKPILGFLOL-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614917 717018579 /nfs/dbraw/zinc/01/85/79/717018579.db2.gz ILANUIDUDLZIFO-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704079 717130690 /nfs/dbraw/zinc/13/06/90/717130690.db2.gz NBSYGTGAIUXXPG-ICSRJNTNSA-N 2 1 329.488 2.572 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484865 717326181 /nfs/dbraw/zinc/32/61/81/717326181.db2.gz CPMFBERISZXATL-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484865 717326183 /nfs/dbraw/zinc/32/61/83/717326183.db2.gz CPMFBERISZXATL-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490809 717343385 /nfs/dbraw/zinc/34/33/85/717343385.db2.gz MOKZYEUDJVDYJY-DLBZAZTESA-N 2 1 335.879 2.575 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)cnc4c3)C[C@@H]2C1 ZINC000979714504 717359921 /nfs/dbraw/zinc/35/99/21/717359921.db2.gz PBXDMHFZFKYAKD-RCCFBDPRSA-N 2 1 338.455 2.659 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027942638 717369628 /nfs/dbraw/zinc/36/96/28/717369628.db2.gz FUEBJRHCWSLWPW-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440377 717738713 /nfs/dbraw/zinc/73/87/13/717738713.db2.gz ORJADLVMIXAOJD-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441020 717740437 /nfs/dbraw/zinc/74/04/37/717740437.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441020 717740441 /nfs/dbraw/zinc/74/04/41/717740441.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441020 717740444 /nfs/dbraw/zinc/74/04/44/717740444.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982117 717766095 /nfs/dbraw/zinc/76/60/95/717766095.db2.gz NSKMHVZUBNHELC-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980144961 717793640 /nfs/dbraw/zinc/79/36/40/717793640.db2.gz RWCPYZAVPUVURA-BZSNNMDCSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154025 717810477 /nfs/dbraw/zinc/81/04/77/717810477.db2.gz FUUNGCRUXCVEQT-SZMVWBNQSA-N 2 1 345.487 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166816 717831309 /nfs/dbraw/zinc/83/13/09/717831309.db2.gz JLZIEHNWEAXFCV-GBESFXJTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166816 717831312 /nfs/dbraw/zinc/83/13/12/717831312.db2.gz JLZIEHNWEAXFCV-GBESFXJTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166816 717831317 /nfs/dbraw/zinc/83/13/17/717831317.db2.gz JLZIEHNWEAXFCV-GBESFXJTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980188102 717876866 /nfs/dbraw/zinc/87/68/66/717876866.db2.gz RHFGPCOBSXZRBP-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980188102 717876868 /nfs/dbraw/zinc/87/68/68/717876868.db2.gz RHFGPCOBSXZRBP-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304759360 724475502 /nfs/dbraw/zinc/47/55/02/724475502.db2.gz RAQPAYFKZXFPKV-FUHWJXTLSA-N 3 1 345.535 2.504 20 30 EFEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000304759360 724475508 /nfs/dbraw/zinc/47/55/08/724475508.db2.gz RAQPAYFKZXFPKV-FUHWJXTLSA-N 2 1 345.535 2.504 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000304759360 724475513 /nfs/dbraw/zinc/47/55/13/724475513.db2.gz RAQPAYFKZXFPKV-FUHWJXTLSA-N 2 1 345.535 2.504 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652600 718061682 /nfs/dbraw/zinc/06/16/82/718061682.db2.gz QQPAIJNMNUOGLW-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024752167 718138063 /nfs/dbraw/zinc/13/80/63/718138063.db2.gz QGHPZPYYEYVFKF-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024752167 718138065 /nfs/dbraw/zinc/13/80/65/718138065.db2.gz QGHPZPYYEYVFKF-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024752167 718138066 /nfs/dbraw/zinc/13/80/66/718138066.db2.gz QGHPZPYYEYVFKF-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024752167 718138069 /nfs/dbraw/zinc/13/80/69/718138069.db2.gz QGHPZPYYEYVFKF-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169115 718162922 /nfs/dbraw/zinc/16/29/22/718162922.db2.gz OTFZOJVDLZMNFT-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169115 718162925 /nfs/dbraw/zinc/16/29/25/718162925.db2.gz OTFZOJVDLZMNFT-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169115 718162927 /nfs/dbraw/zinc/16/29/27/718162927.db2.gz OTFZOJVDLZMNFT-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817903 718178925 /nfs/dbraw/zinc/17/89/25/718178925.db2.gz ARXPWQINSOUEKW-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947308872 718226428 /nfs/dbraw/zinc/22/64/28/718226428.db2.gz ASUKARJWEUSQKL-JKSUJKDBSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947308872 718226430 /nfs/dbraw/zinc/22/64/30/718226430.db2.gz ASUKARJWEUSQKL-JKSUJKDBSA-N 2 1 341.927 2.973 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231938 718446922 /nfs/dbraw/zinc/44/69/22/718446922.db2.gz JCMBICRTZIACKO-RTBURBONSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231935 718446963 /nfs/dbraw/zinc/44/69/63/718446963.db2.gz JCMBICRTZIACKO-OALUTQOASA-N 2 1 345.531 2.730 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240037 718459661 /nfs/dbraw/zinc/45/96/61/718459661.db2.gz KMVCAMHOVQNWRR-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240352 718460030 /nfs/dbraw/zinc/46/00/30/718460030.db2.gz NPZRXTNMXRAGBX-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240352 718460032 /nfs/dbraw/zinc/46/00/32/718460032.db2.gz NPZRXTNMXRAGBX-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240352 718460034 /nfs/dbraw/zinc/46/00/34/718460034.db2.gz NPZRXTNMXRAGBX-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240494 718460220 /nfs/dbraw/zinc/46/02/20/718460220.db2.gz PGAYXQJBZTXNAW-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240495 718460345 /nfs/dbraw/zinc/46/03/45/718460345.db2.gz PGAYXQJBZTXNAW-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244562 718463296 /nfs/dbraw/zinc/46/32/96/718463296.db2.gz WIVMYQMFJBECCL-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253551 718479400 /nfs/dbraw/zinc/47/94/00/718479400.db2.gz WABYMQVSFIUSMD-ZWKOTPCHSA-N 2 1 344.503 2.774 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267297 718487463 /nfs/dbraw/zinc/48/74/63/718487463.db2.gz OBMNWTHOQGXQIC-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267298 718487649 /nfs/dbraw/zinc/48/76/49/718487649.db2.gz OBMNWTHOQGXQIC-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279946 718518326 /nfs/dbraw/zinc/51/83/26/718518326.db2.gz JHCCDPPCLLZMLO-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288915 718526396 /nfs/dbraw/zinc/52/63/96/718526396.db2.gz MQGPCKMQWUQHMN-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289762 718529881 /nfs/dbraw/zinc/52/98/81/718529881.db2.gz SBUDQHXDJVBNFX-RBUKOAKNSA-N 2 1 344.503 2.774 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001025301869 718540515 /nfs/dbraw/zinc/54/05/15/718540515.db2.gz QHECIZMFLACXOX-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301649 718547248 /nfs/dbraw/zinc/54/72/48/718547248.db2.gz NSGKFBDLMXPJMZ-UXHICEINSA-N 2 1 345.531 2.731 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985509398 724525604 /nfs/dbraw/zinc/52/56/04/724525604.db2.gz HGGZBCLPJFZKSI-UHFFFAOYSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094448 718727662 /nfs/dbraw/zinc/72/76/62/718727662.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094448 718727667 /nfs/dbraw/zinc/72/76/67/718727667.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094448 718727669 /nfs/dbraw/zinc/72/76/69/718727669.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420376 718799348 /nfs/dbraw/zinc/79/93/48/718799348.db2.gz AWHMVICDFJDRAN-RDJZCZTQSA-N 2 1 326.444 2.659 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460431 718913173 /nfs/dbraw/zinc/91/31/73/718913173.db2.gz IAISRANFXFQURG-HOCLYGCPSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764897 719012546 /nfs/dbraw/zinc/01/25/46/719012546.db2.gz JDSUPFGJPBBSOU-MRXNPFEDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764897 719012551 /nfs/dbraw/zinc/01/25/51/719012551.db2.gz JDSUPFGJPBBSOU-MRXNPFEDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764897 719012555 /nfs/dbraw/zinc/01/25/55/719012555.db2.gz JDSUPFGJPBBSOU-MRXNPFEDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764897 719012559 /nfs/dbraw/zinc/01/25/59/719012559.db2.gz JDSUPFGJPBBSOU-MRXNPFEDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766852 719014623 /nfs/dbraw/zinc/01/46/23/719014623.db2.gz ARQLHWUZGCQPEF-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981766852 719014625 /nfs/dbraw/zinc/01/46/25/719014625.db2.gz ARQLHWUZGCQPEF-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981766852 719014627 /nfs/dbraw/zinc/01/46/27/719014627.db2.gz ARQLHWUZGCQPEF-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813306 719073693 /nfs/dbraw/zinc/07/36/93/719073693.db2.gz IPGPLZDMVABVOZ-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813306 719073698 /nfs/dbraw/zinc/07/36/98/719073698.db2.gz IPGPLZDMVABVOZ-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560042 719131022 /nfs/dbraw/zinc/13/10/22/719131022.db2.gz ZKBSQEKQVJLNBQ-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590767 719176384 /nfs/dbraw/zinc/17/63/84/719176384.db2.gz RJIZKPOQINORRR-FXAWDEMLSA-N 2 1 347.547 2.901 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624064 719242426 /nfs/dbraw/zinc/24/24/26/719242426.db2.gz AXUSACMIRKLBNW-YLJYHZDGSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629316 719253579 /nfs/dbraw/zinc/25/35/79/719253579.db2.gz FSOYLICFVARAQH-MSOLQXFVSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631000 719258826 /nfs/dbraw/zinc/25/88/26/719258826.db2.gz YCRLWTGKXMZMBU-IAGOWNOFSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982041808 719496676 /nfs/dbraw/zinc/49/66/76/719496676.db2.gz AMPGEELEWYGYBE-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982041808 719496677 /nfs/dbraw/zinc/49/66/77/719496677.db2.gz AMPGEELEWYGYBE-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052764 719508105 /nfs/dbraw/zinc/50/81/05/719508105.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052764 719508107 /nfs/dbraw/zinc/50/81/07/719508107.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052764 719508108 /nfs/dbraw/zinc/50/81/08/719508108.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982100091 719555478 /nfs/dbraw/zinc/55/54/78/719555478.db2.gz TZCQZFHZSWAGTM-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107262 719566119 /nfs/dbraw/zinc/56/61/19/719566119.db2.gz GOLOHQVWINSSML-UHFFFAOYSA-N 2 1 345.531 2.609 20 30 EFEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110621 719569365 /nfs/dbraw/zinc/56/93/65/719569365.db2.gz VWGUQMBURIEEMM-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110621 719569369 /nfs/dbraw/zinc/56/93/69/719569369.db2.gz VWGUQMBURIEEMM-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110621 719569371 /nfs/dbraw/zinc/56/93/71/719569371.db2.gz VWGUQMBURIEEMM-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110806 719569512 /nfs/dbraw/zinc/56/95/12/719569512.db2.gz ZVBTULUAZMBUKY-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110806 719569515 /nfs/dbraw/zinc/56/95/15/719569515.db2.gz ZVBTULUAZMBUKY-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110806 719569516 /nfs/dbraw/zinc/56/95/16/719569516.db2.gz ZVBTULUAZMBUKY-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116798 719574141 /nfs/dbraw/zinc/57/41/41/719574141.db2.gz SUZNPKVPPJZIKG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162325 719606655 /nfs/dbraw/zinc/60/66/55/719606655.db2.gz OHHRNGUIKHOJLQ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163731 719608536 /nfs/dbraw/zinc/60/85/36/719608536.db2.gz QQHYJQUCBXIBFO-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982160446 719618528 /nfs/dbraw/zinc/61/85/28/719618528.db2.gz YPEDULMTRMFGAM-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276678 719776041 /nfs/dbraw/zinc/77/60/41/719776041.db2.gz ZBEZCYJRADGRCW-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276678 719776045 /nfs/dbraw/zinc/77/60/45/719776045.db2.gz ZBEZCYJRADGRCW-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292488 719823071 /nfs/dbraw/zinc/82/30/71/719823071.db2.gz LTEOXFNFOJDHOG-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300096 719849669 /nfs/dbraw/zinc/84/96/69/719849669.db2.gz SEAHEZNZOCEQGU-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300096 719849673 /nfs/dbraw/zinc/84/96/73/719849673.db2.gz SEAHEZNZOCEQGU-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300096 719849679 /nfs/dbraw/zinc/84/96/79/719849679.db2.gz SEAHEZNZOCEQGU-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306479 719875474 /nfs/dbraw/zinc/87/54/74/719875474.db2.gz RYYMAVJFJPIIGN-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306479 719875479 /nfs/dbraw/zinc/87/54/79/719875479.db2.gz RYYMAVJFJPIIGN-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306479 719875484 /nfs/dbraw/zinc/87/54/84/719875484.db2.gz RYYMAVJFJPIIGN-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982307873 719880916 /nfs/dbraw/zinc/88/09/16/719880916.db2.gz DMRRHTXUMHQGOQ-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307873 719880923 /nfs/dbraw/zinc/88/09/23/719880923.db2.gz DMRRHTXUMHQGOQ-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307873 719880929 /nfs/dbraw/zinc/88/09/29/719880929.db2.gz DMRRHTXUMHQGOQ-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985569476 724627614 /nfs/dbraw/zinc/62/76/14/724627614.db2.gz ZHGFTEIZHUMDBM-UHFFFAOYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@]2(C)C1 ZINC000982319988 719901941 /nfs/dbraw/zinc/90/19/41/719901941.db2.gz OTBYRWUZNOWNAW-BGYRXZFFSA-N 2 1 338.455 2.613 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400256 720011788 /nfs/dbraw/zinc/01/17/88/720011788.db2.gz GYUBVOFAFITWNR-NRSPTQNISA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312491922 720541524 /nfs/dbraw/zinc/54/15/24/720541524.db2.gz KFZVWLZVXXKTEF-CYBMUJFWSA-N 2 1 339.277 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553116 720819857 /nfs/dbraw/zinc/81/98/57/720819857.db2.gz HYISUQNOBLPRJG-OYRHEFFESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553116 720819861 /nfs/dbraw/zinc/81/98/61/720819861.db2.gz HYISUQNOBLPRJG-OYRHEFFESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553116 720819866 /nfs/dbraw/zinc/81/98/66/720819866.db2.gz HYISUQNOBLPRJG-OYRHEFFESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639799 721040229 /nfs/dbraw/zinc/04/02/29/721040229.db2.gz ADRFHVYFSUDCHP-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982639799 721040230 /nfs/dbraw/zinc/04/02/30/721040230.db2.gz ADRFHVYFSUDCHP-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982639799 721040233 /nfs/dbraw/zinc/04/02/33/721040233.db2.gz ADRFHVYFSUDCHP-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725912 721131953 /nfs/dbraw/zinc/13/19/53/721131953.db2.gz QNWBRUDOOHOOTN-IZZBFERCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594165 721232206 /nfs/dbraw/zinc/23/22/06/721232206.db2.gz DBKAJWUWZBTQRK-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594165 721232208 /nfs/dbraw/zinc/23/22/08/721232208.db2.gz DBKAJWUWZBTQRK-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594165 721232210 /nfs/dbraw/zinc/23/22/10/721232210.db2.gz DBKAJWUWZBTQRK-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831412 721303770 /nfs/dbraw/zinc/30/37/70/721303770.db2.gz KYORPRKPOZKFIV-JYAXBFRTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862402 721484058 /nfs/dbraw/zinc/48/40/58/721484058.db2.gz KAPAYQNZGPADCX-MSOLQXFVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903651 722085202 /nfs/dbraw/zinc/08/52/02/722085202.db2.gz YVMXTWHAAWNUPC-QGZVFWFLSA-N 2 1 338.455 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000639 722617977 /nfs/dbraw/zinc/61/79/77/722617977.db2.gz GRFHVBTWVDDVSN-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000262492739 724160560 /nfs/dbraw/zinc/16/05/60/724160560.db2.gz JNLHHGIGPUAOHK-INMHGKMJSA-N 2 1 330.476 2.677 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985431912 724340440 /nfs/dbraw/zinc/34/04/40/724340440.db2.gz ANPRHANGCJHBGK-UHFFFAOYSA-N 2 1 341.927 2.926 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435099 724344632 /nfs/dbraw/zinc/34/46/32/724344632.db2.gz FPYKGTOISFMVPH-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985435099 724344634 /nfs/dbraw/zinc/34/46/34/724344634.db2.gz FPYKGTOISFMVPH-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985435099 724344637 /nfs/dbraw/zinc/34/46/37/724344637.db2.gz FPYKGTOISFMVPH-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435103 724344731 /nfs/dbraw/zinc/34/47/31/724344731.db2.gz FPYKGTOISFMVPH-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985435103 724344733 /nfs/dbraw/zinc/34/47/33/724344733.db2.gz FPYKGTOISFMVPH-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985435103 724344738 /nfs/dbraw/zinc/34/47/38/724344738.db2.gz FPYKGTOISFMVPH-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800799 724895375 /nfs/dbraw/zinc/89/53/75/724895375.db2.gz OZVRUXDYFFESHB-SFHVURJKSA-N 2 1 349.906 2.965 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800799 724895376 /nfs/dbraw/zinc/89/53/76/724895376.db2.gz OZVRUXDYFFESHB-SFHVURJKSA-N 2 1 349.906 2.965 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142233 725558102 /nfs/dbraw/zinc/55/81/02/725558102.db2.gz YSBKUXIRMAJHGO-OVWQWFNUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142233 725558106 /nfs/dbraw/zinc/55/81/06/725558106.db2.gz YSBKUXIRMAJHGO-OVWQWFNUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142233 725558110 /nfs/dbraw/zinc/55/81/10/725558110.db2.gz YSBKUXIRMAJHGO-OVWQWFNUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142233 725558111 /nfs/dbraw/zinc/55/81/11/725558111.db2.gz YSBKUXIRMAJHGO-OVWQWFNUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142228 725558342 /nfs/dbraw/zinc/55/83/42/725558342.db2.gz YSBKUXIRMAJHGO-LISAXSMJSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142228 725558346 /nfs/dbraw/zinc/55/83/46/725558346.db2.gz YSBKUXIRMAJHGO-LISAXSMJSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142228 725558349 /nfs/dbraw/zinc/55/83/49/725558349.db2.gz YSBKUXIRMAJHGO-LISAXSMJSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142228 725558352 /nfs/dbraw/zinc/55/83/52/725558352.db2.gz YSBKUXIRMAJHGO-LISAXSMJSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266727 725658470 /nfs/dbraw/zinc/65/84/70/725658470.db2.gz ZMYPDMNRWQBVJJ-LPHOPBHVSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266727 725658471 /nfs/dbraw/zinc/65/84/71/725658471.db2.gz ZMYPDMNRWQBVJJ-LPHOPBHVSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276808 725666272 /nfs/dbraw/zinc/66/62/72/725666272.db2.gz BGKAWJXVNXZPQN-ICSRJNTNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364471 725747217 /nfs/dbraw/zinc/74/72/17/725747217.db2.gz ARXOZBQOWKVVAM-AZUAARDMSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992404767 725781075 /nfs/dbraw/zinc/78/10/75/725781075.db2.gz MMVCXWKBNJYLGX-CTNGQTDRSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057801 726119921 /nfs/dbraw/zinc/11/99/21/726119921.db2.gz ZGJUYXBXWHTDCH-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992825149 726272227 /nfs/dbraw/zinc/27/22/27/726272227.db2.gz RPGVHORMTLSAIQ-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993357992 727160567 /nfs/dbraw/zinc/16/05/67/727160567.db2.gz YBTFUVJLRSGJGJ-WBVHZDCISA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccc3cncn3c2C)[C@H]1C ZINC000993535390 727300313 /nfs/dbraw/zinc/30/03/13/727300313.db2.gz UERWHODLCKKVDK-RHSMWYFYSA-N 2 1 346.862 2.978 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630184 727348496 /nfs/dbraw/zinc/34/84/96/727348496.db2.gz KLNDHFGPJHOZAJ-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203258 727622489 /nfs/dbraw/zinc/62/24/89/727622489.db2.gz KSLOOBPBRXTSSP-VQIMIIECSA-N 2 1 333.520 2.654 20 30 EFEDMP CSCCC[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509284 727719552 /nfs/dbraw/zinc/71/95/52/727719552.db2.gz ZZZKHGZVIVMQER-HNNXBMFYSA-N 2 1 328.570 2.804 20 30 EFEDMP CSCCC[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509285 727719622 /nfs/dbraw/zinc/71/96/22/727719622.db2.gz ZZZKHGZVIVMQER-OAHLLOKOSA-N 2 1 328.570 2.804 20 30 EFEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CCCSC)C1 ZINC000912508852 727719703 /nfs/dbraw/zinc/71/97/03/727719703.db2.gz RSOFUHJFHBROBZ-OAHLLOKOSA-N 2 1 328.570 2.805 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489043 727769906 /nfs/dbraw/zinc/76/99/06/727769906.db2.gz SGZJOCOYTDCHIQ-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489039 727769917 /nfs/dbraw/zinc/76/99/17/727769917.db2.gz SGZJOCOYTDCHIQ-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098902 728300232 /nfs/dbraw/zinc/30/02/32/728300232.db2.gz CNPZIEKGXFQLCO-GOEBONIOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942204370 728364823 /nfs/dbraw/zinc/36/48/23/728364823.db2.gz NTBFEWXWXMFOPE-SJKOYZFVSA-N 2 1 346.862 2.835 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942204370 728364826 /nfs/dbraw/zinc/36/48/26/728364826.db2.gz NTBFEWXWXMFOPE-SJKOYZFVSA-N 2 1 346.862 2.835 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205685 728366385 /nfs/dbraw/zinc/36/63/85/728366385.db2.gz VQKHLFUXMBQXIM-RDTXWAMCSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948898633 728639398 /nfs/dbraw/zinc/63/93/98/728639398.db2.gz KMVDHTJTYDULMO-UXHICEINSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898633 728639399 /nfs/dbraw/zinc/63/93/99/728639399.db2.gz KMVDHTJTYDULMO-UXHICEINSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898633 728639400 /nfs/dbraw/zinc/63/94/00/728639400.db2.gz KMVDHTJTYDULMO-UXHICEINSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881637 729765316 /nfs/dbraw/zinc/76/53/16/729765316.db2.gz GBCZCACVEQXHQU-DOTOQJQBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881637 729765317 /nfs/dbraw/zinc/76/53/17/729765317.db2.gz GBCZCACVEQXHQU-DOTOQJQBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881640 729765340 /nfs/dbraw/zinc/76/53/40/729765340.db2.gz GBCZCACVEQXHQU-WBVHZDCISA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881640 729765341 /nfs/dbraw/zinc/76/53/41/729765341.db2.gz GBCZCACVEQXHQU-WBVHZDCISA-N 2 1 341.927 2.828 20 30 EFEDMP C#CC[N@H+](CCCCCC[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001574667475 1088046730 /nfs/dbraw/zinc/04/67/30/1088046730.db2.gz RHLQFVZVDJLHAW-UHFFFAOYSA-N 2 1 337.508 2.840 20 30 EFEDMP C#CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001574667683 1088047641 /nfs/dbraw/zinc/04/76/41/1088047641.db2.gz UYYFBSIWABGLFP-UHFFFAOYSA-N 2 1 337.508 2.759 20 30 EFEDMP C=CC[C@@]1(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888355 1088139083 /nfs/dbraw/zinc/13/90/83/1088139083.db2.gz COWVGBLMFYYSKI-CTNGQTDRSA-N 2 1 341.499 2.808 20 30 EFEDMP N#CC1(c2ccccc2)CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001647150943 1089000510 /nfs/dbraw/zinc/00/05/10/1089000510.db2.gz IFYRPDLPQRDHOB-UHFFFAOYSA-N 2 1 339.483 2.845 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c1C#N ZINC001578875676 1090461300 /nfs/dbraw/zinc/46/13/00/1090461300.db2.gz UZCDOBBZTVGVOT-UHFFFAOYSA-N 2 1 329.444 2.542 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961103 1090733416 /nfs/dbraw/zinc/73/34/16/1090733416.db2.gz AWMHRCKTUFZWME-RTBURBONSA-N 2 1 349.482 2.780 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961667 1090733867 /nfs/dbraw/zinc/73/38/67/1090733867.db2.gz PRMSDQGMKNGCCS-CTNGQTDRSA-N 2 1 349.482 2.910 20 30 EFEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580078384 1090765737 /nfs/dbraw/zinc/76/57/37/1090765737.db2.gz WMFPRMDCEOOFAA-HZPDHXFCSA-N 2 1 328.416 2.678 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448072 1092755875 /nfs/dbraw/zinc/75/58/75/1092755875.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448072 1092755880 /nfs/dbraw/zinc/75/58/80/1092755880.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448072 1092755888 /nfs/dbraw/zinc/75/58/88/1092755888.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001588430589 1092943950 /nfs/dbraw/zinc/94/39/50/1092943950.db2.gz RXXTZNHRCNVRAP-SFHVURJKSA-N 2 1 340.475 2.948 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454286 1093047983 /nfs/dbraw/zinc/04/79/83/1093047983.db2.gz PKSXZBCXMSQFNB-WSTZPKSXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454286 1093047988 /nfs/dbraw/zinc/04/79/88/1093047988.db2.gz PKSXZBCXMSQFNB-WSTZPKSXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454286 1093047996 /nfs/dbraw/zinc/04/79/96/1093047996.db2.gz PKSXZBCXMSQFNB-WSTZPKSXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454546 1093053029 /nfs/dbraw/zinc/05/30/29/1093053029.db2.gz XOXQMGVCPYVNMK-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454546 1093053035 /nfs/dbraw/zinc/05/30/35/1093053035.db2.gz XOXQMGVCPYVNMK-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229969 /nfs/dbraw/zinc/22/99/69/1093229969.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229978 /nfs/dbraw/zinc/22/99/78/1093229978.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229985 /nfs/dbraw/zinc/22/99/85/1093229985.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461668 1093326807 /nfs/dbraw/zinc/32/68/07/1093326807.db2.gz NUXVQSRKUURVMA-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461668 1093326813 /nfs/dbraw/zinc/32/68/13/1093326813.db2.gz NUXVQSRKUURVMA-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461668 1093326818 /nfs/dbraw/zinc/32/68/18/1093326818.db2.gz NUXVQSRKUURVMA-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087298043 1095096927 /nfs/dbraw/zinc/09/69/27/1095096927.db2.gz YNCLYUYQKIFBCK-QRQLOZEOSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087298043 1095096941 /nfs/dbraw/zinc/09/69/41/1095096941.db2.gz YNCLYUYQKIFBCK-QRQLOZEOSA-N 2 1 344.503 2.763 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303205 1095160484 /nfs/dbraw/zinc/16/04/84/1095160484.db2.gz HYESMLRGRHDTAK-NEWSRXKRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303205 1095160495 /nfs/dbraw/zinc/16/04/95/1095160495.db2.gz HYESMLRGRHDTAK-NEWSRXKRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303205 1095160504 /nfs/dbraw/zinc/16/05/04/1095160504.db2.gz HYESMLRGRHDTAK-NEWSRXKRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304259 1095170089 /nfs/dbraw/zinc/17/00/89/1095170089.db2.gz ZQWDIMXZGRAADC-QRQLOZEOSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304259 1095170099 /nfs/dbraw/zinc/17/00/99/1095170099.db2.gz ZQWDIMXZGRAADC-QRQLOZEOSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317551 1095316657 /nfs/dbraw/zinc/31/66/57/1095316657.db2.gz KEELMYLAKFUCQD-NZSAHSFTSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317551 1095316669 /nfs/dbraw/zinc/31/66/69/1095316669.db2.gz KEELMYLAKFUCQD-NZSAHSFTSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317681 1095318756 /nfs/dbraw/zinc/31/87/56/1095318756.db2.gz LHKCFQADBHQOHJ-QRQLOZEOSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753676 1095677934 /nfs/dbraw/zinc/67/79/34/1095677934.db2.gz NLJUQDQSVJPQPL-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703133 1095939642 /nfs/dbraw/zinc/93/96/42/1095939642.db2.gz WLZQIHKEKCGDBK-ZWKOTPCHSA-N 2 1 349.906 2.665 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104572993 1096117464 /nfs/dbraw/zinc/11/74/64/1096117464.db2.gz CIWABXGNHKNJAA-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481956638 1096994611 /nfs/dbraw/zinc/99/46/11/1096994611.db2.gz BAWCJTQLHPOMRT-KSSFIOAISA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417449 1099220722 /nfs/dbraw/zinc/22/07/22/1099220722.db2.gz AIXOKZUVLIHFMH-SJORKVTESA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417448 1099222206 /nfs/dbraw/zinc/22/22/06/1099222206.db2.gz AIXOKZUVLIHFMH-IRXDYDNUSA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013267 1099353802 /nfs/dbraw/zinc/35/38/02/1099353802.db2.gz GORGLGDKHUFDSE-JFIYKMOQSA-N 2 1 332.492 2.620 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067154 1099542611 /nfs/dbraw/zinc/54/26/11/1099542611.db2.gz PLDLNAKUQFRFBU-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396173 1100561766 /nfs/dbraw/zinc/56/17/66/1100561766.db2.gz IMMWKJKGOQBNHI-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396763 1100593709 /nfs/dbraw/zinc/59/37/09/1100593709.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396763 1100593713 /nfs/dbraw/zinc/59/37/13/1100593713.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396763 1100593719 /nfs/dbraw/zinc/59/37/19/1100593719.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)[C@H]1CC ZINC001087630851 1100613080 /nfs/dbraw/zinc/61/30/80/1100613080.db2.gz ZPNDXYRTYHQKKY-HHXXYDBFSA-N 2 1 344.503 2.758 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634390 1100617150 /nfs/dbraw/zinc/61/71/50/1100617150.db2.gz CEPWUWXGMYYEEJ-ZWKOTPCHSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642275 1100621119 /nfs/dbraw/zinc/62/11/19/1100621119.db2.gz FMSWXVBGXGPJJM-ZWKOTPCHSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696866 1100676548 /nfs/dbraw/zinc/67/65/48/1100676548.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696866 1100676549 /nfs/dbraw/zinc/67/65/49/1100676549.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696866 1100676551 /nfs/dbraw/zinc/67/65/51/1100676551.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696866 1100676552 /nfs/dbraw/zinc/67/65/52/1100676552.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696866 1100676555 /nfs/dbraw/zinc/67/65/55/1100676555.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699121 1100678493 /nfs/dbraw/zinc/67/84/93/1100678493.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 2 1 345.531 2.776 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699121 1100678495 /nfs/dbraw/zinc/67/84/95/1100678495.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 2 1 345.531 2.776 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699121 1100678498 /nfs/dbraw/zinc/67/84/98/1100678498.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 2 1 345.531 2.776 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704939 1100679379 /nfs/dbraw/zinc/67/93/79/1100679379.db2.gz NXRYZKXBAYCJJW-DLBZAZTESA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704939 1100679382 /nfs/dbraw/zinc/67/93/82/1100679382.db2.gz NXRYZKXBAYCJJW-DLBZAZTESA-N 2 1 333.476 2.890 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728238 1100705843 /nfs/dbraw/zinc/70/58/43/1100705843.db2.gz LYODORYYHZPQFC-RBUKOAKNSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839482 1100854143 /nfs/dbraw/zinc/85/41/43/1100854143.db2.gz DHJLFUTVCMHNDF-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986246 1101149771 /nfs/dbraw/zinc/14/97/71/1101149771.db2.gz CETYSECRUQGBLN-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986246 1101149777 /nfs/dbraw/zinc/14/97/77/1101149777.db2.gz CETYSECRUQGBLN-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986246 1101149780 /nfs/dbraw/zinc/14/97/80/1101149780.db2.gz CETYSECRUQGBLN-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023076 1101209746 /nfs/dbraw/zinc/20/97/46/1101209746.db2.gz MWXDNTKLIQORNV-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023076 1101209749 /nfs/dbraw/zinc/20/97/49/1101209749.db2.gz MWXDNTKLIQORNV-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023076 1101209752 /nfs/dbraw/zinc/20/97/52/1101209752.db2.gz MWXDNTKLIQORNV-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077288 1101381597 /nfs/dbraw/zinc/38/15/97/1101381597.db2.gz SJVQXTJXKWKBKB-AABGKKOBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077288 1101381614 /nfs/dbraw/zinc/38/16/14/1101381614.db2.gz SJVQXTJXKWKBKB-AABGKKOBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077288 1101381629 /nfs/dbraw/zinc/38/16/29/1101381629.db2.gz SJVQXTJXKWKBKB-AABGKKOBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311160 1101573129 /nfs/dbraw/zinc/57/31/29/1101573129.db2.gz VCLINRMYZITWQZ-OIISXLGYSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166706 1101728617 /nfs/dbraw/zinc/72/86/17/1101728617.db2.gz OLGYMMAOVHQXNK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166706 1101728629 /nfs/dbraw/zinc/72/86/29/1101728629.db2.gz OLGYMMAOVHQXNK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166706 1101728637 /nfs/dbraw/zinc/72/86/37/1101728637.db2.gz OLGYMMAOVHQXNK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212995 1101893857 /nfs/dbraw/zinc/89/38/57/1101893857.db2.gz FBCVQCNAAJGJPN-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212995 1101893882 /nfs/dbraw/zinc/89/38/82/1101893882.db2.gz FBCVQCNAAJGJPN-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379067 1102503230 /nfs/dbraw/zinc/50/32/30/1102503230.db2.gz WFVHEIYLCRKZAC-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351924 1102823578 /nfs/dbraw/zinc/82/35/78/1102823578.db2.gz SUIYJQCMGIBAMP-UHFFFAOYSA-N 2 1 332.492 2.849 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291321 1102853514 /nfs/dbraw/zinc/85/35/14/1102853514.db2.gz MCYTUIDMEWQFSH-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327671 1102934493 /nfs/dbraw/zinc/93/44/93/1102934493.db2.gz TYQSQKGKUJUCEK-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327670 1102934739 /nfs/dbraw/zinc/93/47/39/1102934739.db2.gz TYQSQKGKUJUCEK-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336349 1102995979 /nfs/dbraw/zinc/99/59/79/1102995979.db2.gz BNRBEAOWLVZWRN-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367237 1103195063 /nfs/dbraw/zinc/19/50/63/1103195063.db2.gz FRRATEZCBRFKIA-AZUAARDMSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088382113 1103339843 /nfs/dbraw/zinc/33/98/43/1103339843.db2.gz UOOMUJKWRUXFMZ-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394209 1103410109 /nfs/dbraw/zinc/41/01/09/1103410109.db2.gz ZENOECODNTZENN-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088411444 1103483914 /nfs/dbraw/zinc/48/39/14/1103483914.db2.gz HDSRYQYEQQBTCH-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001105447373 1104214242 /nfs/dbraw/zinc/21/42/42/1104214242.db2.gz DJVYJNDEBSEWQD-TYKWCNGQSA-N 2 1 343.515 2.709 20 30 EFEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001101551311 1104233520 /nfs/dbraw/zinc/23/35/20/1104233520.db2.gz DQMSZUDIINWNQL-UHFFFAOYSA-N 2 1 335.536 2.594 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439961 1104594780 /nfs/dbraw/zinc/59/47/80/1104594780.db2.gz KCAQEEWYXCWKRQ-SJORKVTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542498 1105900800 /nfs/dbraw/zinc/90/08/00/1105900800.db2.gz WSHAQEVSSFYOPU-GOSISDBHSA-N 2 1 333.520 2.798 20 30 EFEDMP C[NH+](C)Cc1ccc(C(N)=NOCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000842036586 1106253902 /nfs/dbraw/zinc/25/39/02/1106253902.db2.gz MZMVOSJQGCYKJJ-UHFFFAOYSA-N 2 1 340.471 2.517 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738543 1106616243 /nfs/dbraw/zinc/61/62/43/1106616243.db2.gz FLOLKCUSAAWILK-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133500 1108542702 /nfs/dbraw/zinc/54/27/02/1108542702.db2.gz JZTDAKXIKAWCPF-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762040 1109220833 /nfs/dbraw/zinc/22/08/33/1109220833.db2.gz LEILGAPGUNJIFL-DFGXFYAUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762040 1109220836 /nfs/dbraw/zinc/22/08/36/1109220836.db2.gz LEILGAPGUNJIFL-DFGXFYAUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762040 1109220840 /nfs/dbraw/zinc/22/08/40/1109220840.db2.gz LEILGAPGUNJIFL-DFGXFYAUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990762040 1109220844 /nfs/dbraw/zinc/22/08/44/1109220844.db2.gz LEILGAPGUNJIFL-DFGXFYAUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168462969 1111079263 /nfs/dbraw/zinc/07/92/63/1111079263.db2.gz IVUXZYZEXGDOOS-UHFFFAOYSA-N 2 1 329.488 2.571 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168462969 1111079266 /nfs/dbraw/zinc/07/92/66/1111079266.db2.gz IVUXZYZEXGDOOS-UHFFFAOYSA-N 2 1 329.488 2.571 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357937 1111455410 /nfs/dbraw/zinc/45/54/10/1111455410.db2.gz QIIWREDVGRJVJS-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666755 1111708835 /nfs/dbraw/zinc/70/88/35/1111708835.db2.gz TVTKBXQFYRRDJW-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715774 1111747148 /nfs/dbraw/zinc/74/71/48/1111747148.db2.gz KDSJKPSFRRGVLL-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860045 1111915414 /nfs/dbraw/zinc/91/54/14/1111915414.db2.gz GKYDOBBBZVOWQT-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203454416 1111966030 /nfs/dbraw/zinc/96/60/30/1111966030.db2.gz ZLBVTOHQRRYTCM-CVEARBPZSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310514 1112008966 /nfs/dbraw/zinc/00/89/66/1112008966.db2.gz ONYLFWSKNLTCKA-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310514 1112008971 /nfs/dbraw/zinc/00/89/71/1112008971.db2.gz ONYLFWSKNLTCKA-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310514 1112008976 /nfs/dbraw/zinc/00/89/76/1112008976.db2.gz ONYLFWSKNLTCKA-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310514 1112008980 /nfs/dbraw/zinc/00/89/80/1112008980.db2.gz ONYLFWSKNLTCKA-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390435 1112056599 /nfs/dbraw/zinc/05/65/99/1112056599.db2.gz FAJKGDDGVGOZAG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390435 1112056605 /nfs/dbraw/zinc/05/66/05/1112056605.db2.gz FAJKGDDGVGOZAG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390435 1112056609 /nfs/dbraw/zinc/05/66/09/1112056609.db2.gz FAJKGDDGVGOZAG-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402426 1112072547 /nfs/dbraw/zinc/07/25/47/1112072547.db2.gz GRPDNMQYGIAAMR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402426 1112072551 /nfs/dbraw/zinc/07/25/51/1112072551.db2.gz GRPDNMQYGIAAMR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402426 1112072557 /nfs/dbraw/zinc/07/25/57/1112072557.db2.gz GRPDNMQYGIAAMR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406192 1112076454 /nfs/dbraw/zinc/07/64/54/1112076454.db2.gz IJNQEOKOORLXAM-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406192 1112076459 /nfs/dbraw/zinc/07/64/59/1112076459.db2.gz IJNQEOKOORLXAM-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089406192 1112076463 /nfs/dbraw/zinc/07/64/63/1112076463.db2.gz IJNQEOKOORLXAM-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406190 1112077016 /nfs/dbraw/zinc/07/70/16/1112077016.db2.gz IJNQEOKOORLXAM-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406190 1112077019 /nfs/dbraw/zinc/07/70/19/1112077019.db2.gz IJNQEOKOORLXAM-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089406190 1112077023 /nfs/dbraw/zinc/07/70/23/1112077023.db2.gz IJNQEOKOORLXAM-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427153 1112117457 /nfs/dbraw/zinc/11/74/57/1112117457.db2.gz OLQOHMVZCOXYJD-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427153 1112117458 /nfs/dbraw/zinc/11/74/58/1112117458.db2.gz OLQOHMVZCOXYJD-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427153 1112117460 /nfs/dbraw/zinc/11/74/60/1112117460.db2.gz OLQOHMVZCOXYJD-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428501 1112119925 /nfs/dbraw/zinc/11/99/25/1112119925.db2.gz YPPXYSBLCOOIMM-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428501 1112119927 /nfs/dbraw/zinc/11/99/27/1112119927.db2.gz YPPXYSBLCOOIMM-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428501 1112119929 /nfs/dbraw/zinc/11/99/29/1112119929.db2.gz YPPXYSBLCOOIMM-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441635 1112150200 /nfs/dbraw/zinc/15/02/00/1112150200.db2.gz JGYGVOYCCJMMQN-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473515 1112200356 /nfs/dbraw/zinc/20/03/56/1112200356.db2.gz YKJYELFROZYSDK-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473515 1112200358 /nfs/dbraw/zinc/20/03/58/1112200358.db2.gz YKJYELFROZYSDK-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473515 1112200360 /nfs/dbraw/zinc/20/03/60/1112200360.db2.gz YKJYELFROZYSDK-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486786 1112218233 /nfs/dbraw/zinc/21/82/33/1112218233.db2.gz CVSMGVZNXMNTQG-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486786 1112218236 /nfs/dbraw/zinc/21/82/36/1112218236.db2.gz CVSMGVZNXMNTQG-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486786 1112218241 /nfs/dbraw/zinc/21/82/41/1112218241.db2.gz CVSMGVZNXMNTQG-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486788 1112218464 /nfs/dbraw/zinc/21/84/64/1112218464.db2.gz CVSMGVZNXMNTQG-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486788 1112218466 /nfs/dbraw/zinc/21/84/66/1112218466.db2.gz CVSMGVZNXMNTQG-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486788 1112218468 /nfs/dbraw/zinc/21/84/68/1112218468.db2.gz CVSMGVZNXMNTQG-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488829 1112221516 /nfs/dbraw/zinc/22/15/16/1112221516.db2.gz YMVXYJIEPAWLTH-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488829 1112221517 /nfs/dbraw/zinc/22/15/17/1112221517.db2.gz YMVXYJIEPAWLTH-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488829 1112221518 /nfs/dbraw/zinc/22/15/18/1112221518.db2.gz YMVXYJIEPAWLTH-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492884 1112229021 /nfs/dbraw/zinc/22/90/21/1112229021.db2.gz PYAJPEBWVMWJLT-ZBFHGGJFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492884 1112229023 /nfs/dbraw/zinc/22/90/23/1112229023.db2.gz PYAJPEBWVMWJLT-ZBFHGGJFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492884 1112229025 /nfs/dbraw/zinc/22/90/25/1112229025.db2.gz PYAJPEBWVMWJLT-ZBFHGGJFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538546 1112284571 /nfs/dbraw/zinc/28/45/71/1112284571.db2.gz WMGXGZIIQRLNDX-LJQANCHMSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673640 1112349592 /nfs/dbraw/zinc/34/95/92/1112349592.db2.gz RHBYNMKLKPLGMV-GOSISDBHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641261 1112432446 /nfs/dbraw/zinc/43/24/46/1112432446.db2.gz KLBYCDNZANQINE-MOPGFXCFSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089640286 1112433121 /nfs/dbraw/zinc/43/31/21/1112433121.db2.gz DWBZAGYMNWECFJ-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089640285 1112433269 /nfs/dbraw/zinc/43/32/69/1112433269.db2.gz DWBZAGYMNWECFJ-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649512 1112475608 /nfs/dbraw/zinc/47/56/08/1112475608.db2.gz KPEJZDYLJTUFOD-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649512 1112475610 /nfs/dbraw/zinc/47/56/10/1112475610.db2.gz KPEJZDYLJTUFOD-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(Cl)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659041 1112588880 /nfs/dbraw/zinc/58/88/80/1112588880.db2.gz RFXJQQKZBOVASP-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001089727105 1112965740 /nfs/dbraw/zinc/96/57/40/1112965740.db2.gz YQJZFTLINLSECN-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089727105 1112965741 /nfs/dbraw/zinc/96/57/41/1112965741.db2.gz YQJZFTLINLSECN-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089727105 1112965742 /nfs/dbraw/zinc/96/57/42/1112965742.db2.gz YQJZFTLINLSECN-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820454 1117877765 /nfs/dbraw/zinc/87/77/65/1117877765.db2.gz MRAMZYJSNPGDDG-OKYOBFRVSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364819 1118729578 /nfs/dbraw/zinc/72/95/78/1118729578.db2.gz JTBPLUMVHVRQPM-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364819 1118729580 /nfs/dbraw/zinc/72/95/80/1118729580.db2.gz JTBPLUMVHVRQPM-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364819 1118729582 /nfs/dbraw/zinc/72/95/82/1118729582.db2.gz JTBPLUMVHVRQPM-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473974 1119052346 /nfs/dbraw/zinc/05/23/46/1119052346.db2.gz NXYPNSDGHMUUJS-QGZVFWFLSA-N 2 1 332.492 2.816 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514429 1119529682 /nfs/dbraw/zinc/52/96/82/1119529682.db2.gz CEXPQNGMBFOXIK-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028595 1120518617 /nfs/dbraw/zinc/51/86/17/1120518617.db2.gz KAEHQECSCMLUQU-RDTXWAMCSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029126 1120520367 /nfs/dbraw/zinc/52/03/67/1120520367.db2.gz QQMDVHAQGOUGQA-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181480872 234200389 /nfs/dbraw/zinc/20/03/89/234200389.db2.gz LZTIHWSHTRXVNC-IBGZPJMESA-N 2 1 338.499 2.597 20 30 EFEDMP C[NH+]=C(NCc1ccc(-c2ccccc2)o1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262735427 240366045 /nfs/dbraw/zinc/36/60/45/240366045.db2.gz CLXZBTAZRMJUJW-INIZCTEOSA-N 2 1 338.455 2.848 20 30 EFEDMP C[NH+]=C(NCc1ccc(-c2ccccc2)o1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262735427 240366054 /nfs/dbraw/zinc/36/60/54/240366054.db2.gz CLXZBTAZRMJUJW-INIZCTEOSA-N 2 1 338.455 2.848 20 30 EFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317942 /nfs/dbraw/zinc/31/79/42/216317942.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317943 /nfs/dbraw/zinc/31/79/43/216317943.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317946 /nfs/dbraw/zinc/31/79/46/216317946.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277269 240092221 /nfs/dbraw/zinc/09/22/21/240092221.db2.gz DAAGJEBNWNBPPJ-PWIZWCRZSA-N 2 1 327.472 2.815 20 30 EFEDMP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000246741745 240271975 /nfs/dbraw/zinc/27/19/75/240271975.db2.gz WNZQBZXCVVTFDD-ZHALLVOQSA-N 2 1 332.492 2.641 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCSC(C)(C)C1 ZINC000261747426 240321911 /nfs/dbraw/zinc/32/19/11/240321911.db2.gz BWXYMZSJEYQYLZ-HNNXBMFYSA-N 2 1 326.554 2.510 20 30 EFEDMP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261976204 240335936 /nfs/dbraw/zinc/33/59/36/240335936.db2.gz NSABXCQQJKXLKW-SJKOYZFVSA-N 2 1 336.430 2.503 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)NC[C@@]1(C)CCCS1 ZINC000262002706 240339469 /nfs/dbraw/zinc/33/94/69/240339469.db2.gz UUQBKFUHQBPZTC-DOTOQJQBSA-N 2 1 326.554 2.558 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262231439 240344860 /nfs/dbraw/zinc/34/48/60/240344860.db2.gz MHRVCXGJDAENLC-XLAORIBOSA-N 2 1 332.536 2.995 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000298880776 241162864 /nfs/dbraw/zinc/16/28/64/241162864.db2.gz NXVBLWQDZQILEI-DLBZAZTESA-N 2 1 329.488 2.841 20 30 EFEDMP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328648949 241210301 /nfs/dbraw/zinc/21/03/01/241210301.db2.gz IKGYUPMBTOWDKT-IAGOWNOFSA-N 2 1 337.508 2.756 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718934 242362242 /nfs/dbraw/zinc/36/22/42/242362242.db2.gz DEBHNRBUNGZUCY-IBGZPJMESA-N 2 1 348.535 2.733 20 30 EFEDMP N#CCCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143602 242375706 /nfs/dbraw/zinc/37/57/06/242375706.db2.gz KAVCCESEYXTQPO-FQEVSTJZSA-N 2 1 326.488 2.572 20 30 EFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896882 250138467 /nfs/dbraw/zinc/13/84/67/250138467.db2.gz LQCHKXDHUROJKD-FUHIMQAGSA-N 2 1 326.488 2.577 20 30 EFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496185 251042491 /nfs/dbraw/zinc/04/24/91/251042491.db2.gz IWQWEORTNGGPTO-IBGZPJMESA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496185 251042495 /nfs/dbraw/zinc/04/24/95/251042495.db2.gz IWQWEORTNGGPTO-IBGZPJMESA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496185 251042498 /nfs/dbraw/zinc/04/24/98/251042498.db2.gz IWQWEORTNGGPTO-IBGZPJMESA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496185 251042501 /nfs/dbraw/zinc/04/25/01/251042501.db2.gz IWQWEORTNGGPTO-IBGZPJMESA-N 2 1 348.535 2.583 20 30 EFEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268814895 252265222 /nfs/dbraw/zinc/26/52/22/252265222.db2.gz FULYOGXOWHQIOA-DOTOQJQBSA-N 2 1 338.879 2.925 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142478 296391764 /nfs/dbraw/zinc/39/17/64/296391764.db2.gz YHJQCOMXABQZTJ-VQIMIIECSA-N 2 1 342.487 2.556 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174381 145385055 /nfs/dbraw/zinc/38/50/55/145385055.db2.gz QRQNDBBBXHTOLE-OXJNMPFZSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174381 145385056 /nfs/dbraw/zinc/38/50/56/145385056.db2.gz QRQNDBBBXHTOLE-OXJNMPFZSA-N 2 1 326.488 2.595 20 30 EFEDMP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000360171016 148290130 /nfs/dbraw/zinc/29/01/30/148290130.db2.gz PWHFTBPRDMPMIJ-KRWDZBQOSA-N 2 1 330.451 2.740 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116786 /nfs/dbraw/zinc/11/67/86/149116786.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116789 /nfs/dbraw/zinc/11/67/89/149116789.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116790 /nfs/dbraw/zinc/11/67/90/149116790.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP C[N@H+]1CCCC[C@H]1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364859 /nfs/dbraw/zinc/36/48/59/151364859.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 2 1 326.488 2.945 20 30 EFEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364862 /nfs/dbraw/zinc/36/48/62/151364862.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 2 1 326.488 2.945 20 30 EFEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364864 /nfs/dbraw/zinc/36/48/64/151364864.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 2 1 326.488 2.945 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852928 268064752 /nfs/dbraw/zinc/06/47/52/268064752.db2.gz IYDHKADTXODADK-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](c4ncc[nH]4)C3)C2=O)cc1 ZINC000272573107 268110530 /nfs/dbraw/zinc/11/05/30/268110530.db2.gz VLHVKEPELFJUJN-SJLPKXTDSA-N 2 1 349.438 2.656 20 30 EFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343721678 278305661 /nfs/dbraw/zinc/30/56/61/278305661.db2.gz CTTQJVFACLHYNN-DLBZAZTESA-N 2 1 326.488 2.720 20 30 EFEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000262492942 279241038 /nfs/dbraw/zinc/24/10/38/279241038.db2.gz JOMCELUAHARSOO-INMHGKMJSA-N 2 1 330.476 2.535 20 30 EFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891528 290222030 /nfs/dbraw/zinc/22/20/30/290222030.db2.gz YPIQHAQZUNKZPZ-HLIPFELVSA-N 2 1 326.488 2.577 20 30 EFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543963 290246053 /nfs/dbraw/zinc/24/60/53/290246053.db2.gz BYJSHJUDQDTWQS-DLBZAZTESA-N 2 1 326.488 2.720 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000113333522 473385878 /nfs/dbraw/zinc/38/58/78/473385878.db2.gz IISFDKHZUSRFJV-UHFFFAOYSA-N 2 1 330.472 2.679 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000058834183 472604784 /nfs/dbraw/zinc/60/47/84/472604784.db2.gz BLFCIZGOZTYDMZ-UHFFFAOYSA-N 2 1 340.471 2.837 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000104156667 472659870 /nfs/dbraw/zinc/65/98/70/472659870.db2.gz NALULBJSDBWCAO-CQSZACIVSA-N 2 1 334.464 2.695 20 30 EFEDMP N#Cc1ccc(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000090970967 472669728 /nfs/dbraw/zinc/66/97/28/472669728.db2.gz RTZQHOAOWDMVSZ-CXUOOODFSA-N 2 1 340.471 2.860 20 30 EFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134860339 472978237 /nfs/dbraw/zinc/97/82/37/472978237.db2.gz SRQVQBDSIVHEMS-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134860339 472978243 /nfs/dbraw/zinc/97/82/43/472978243.db2.gz SRQVQBDSIVHEMS-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134860339 472978250 /nfs/dbraw/zinc/97/82/50/472978250.db2.gz SRQVQBDSIVHEMS-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP CC[NH+]1CCN(c2ccccc2C[N@H+](CCC#N)CC2CC2)CC1 ZINC000093091505 473041069 /nfs/dbraw/zinc/04/10/69/473041069.db2.gz SGVKLVLGOWKFJC-UHFFFAOYSA-N 2 1 326.488 2.954 20 30 EFEDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000093091505 473041077 /nfs/dbraw/zinc/04/10/77/473041077.db2.gz SGVKLVLGOWKFJC-UHFFFAOYSA-N 2 1 326.488 2.954 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160160084 473091962 /nfs/dbraw/zinc/09/19/62/473091962.db2.gz STXNWWDUTPTXAM-KYJSFNMBSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160160084 473091968 /nfs/dbraw/zinc/09/19/68/473091968.db2.gz STXNWWDUTPTXAM-KYJSFNMBSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740610 473502226 /nfs/dbraw/zinc/50/22/26/473502226.db2.gz HUQOCRSNNOZDLM-NVXWUHKLSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740610 473502231 /nfs/dbraw/zinc/50/22/31/473502231.db2.gz HUQOCRSNNOZDLM-NVXWUHKLSA-N 2 1 340.471 2.739 20 30 EFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583578 473534531 /nfs/dbraw/zinc/53/45/31/473534531.db2.gz KYTCRJVSDXHVKG-CZUORRHYSA-N 2 1 329.473 2.953 20 30 EFEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000191464583 473541752 /nfs/dbraw/zinc/54/17/52/473541752.db2.gz KZJKKUNJBYLOHN-UHFFFAOYSA-N 2 1 331.479 2.677 20 30 EFEDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115544846 473578386 /nfs/dbraw/zinc/57/83/86/473578386.db2.gz ORBGGJMJUVMDDW-IBGZPJMESA-N 2 1 342.487 2.529 20 30 EFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115544846 473578390 /nfs/dbraw/zinc/57/83/90/473578390.db2.gz ORBGGJMJUVMDDW-IBGZPJMESA-N 2 1 342.487 2.529 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)NCCc2ccccc2)CC1 ZINC000153051318 473606093 /nfs/dbraw/zinc/60/60/93/473606093.db2.gz ILVVLCQIITVBKW-GOSISDBHSA-N 2 1 343.515 2.754 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000186192795 473613137 /nfs/dbraw/zinc/61/31/37/473613137.db2.gz KJHKJMPFNKDECV-RTBURBONSA-N 2 1 340.515 2.857 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000269137016 473706280 /nfs/dbraw/zinc/70/62/80/473706280.db2.gz TYQQWJGRKBSDEW-UHFFFAOYSA-N 2 1 337.471 2.661 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000269137016 473706285 /nfs/dbraw/zinc/70/62/85/473706285.db2.gz TYQQWJGRKBSDEW-UHFFFAOYSA-N 2 1 337.471 2.661 20 30 EFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049621 473786357 /nfs/dbraw/zinc/78/63/57/473786357.db2.gz MTRMISXCEUCAMV-MRXNPFEDSA-N 2 1 335.455 2.533 20 30 EFEDMP C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286098 473845580 /nfs/dbraw/zinc/84/55/80/473845580.db2.gz HAADMFQAQLVYPZ-KSSFIOAISA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286098 473845586 /nfs/dbraw/zinc/84/55/86/473845586.db2.gz HAADMFQAQLVYPZ-KSSFIOAISA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106935 473950122 /nfs/dbraw/zinc/95/01/22/473950122.db2.gz PVYNGSGROLVFDS-WDEREUQCSA-N 2 1 329.275 2.910 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274784959 473957683 /nfs/dbraw/zinc/95/76/83/473957683.db2.gz ARDVYWKYDPDCRP-UYAOXDASSA-N 2 1 343.515 2.911 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274784959 473957693 /nfs/dbraw/zinc/95/76/93/473957693.db2.gz ARDVYWKYDPDCRP-UYAOXDASSA-N 2 1 343.515 2.911 20 30 EFEDMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000288625442 474003928 /nfs/dbraw/zinc/00/39/28/474003928.db2.gz SCKVISOKQSOCBZ-UHFFFAOYSA-N 2 1 342.418 2.713 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174221755 474007966 /nfs/dbraw/zinc/00/79/66/474007966.db2.gz YXISMUCAOQJYIW-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174221755 474007973 /nfs/dbraw/zinc/00/79/73/474007973.db2.gz YXISMUCAOQJYIW-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC000270965427 474342454 /nfs/dbraw/zinc/34/24/54/474342454.db2.gz VMENZJWLDVXVSC-UHFFFAOYSA-N 2 1 326.488 2.549 20 30 EFEDMP C[NH+]=C(NCc1ccccc1C[N@H+](C)Cc1ccco1)NC1CC1 ZINC000266171755 474423387 /nfs/dbraw/zinc/42/33/87/474423387.db2.gz ZORNMUMCRQIPAJ-UHFFFAOYSA-N 2 1 326.444 2.739 20 30 EFEDMP C[NH+]=C(NCc1ccccc1C[N@@H+](C)Cc1ccco1)NC1CC1 ZINC000266171755 474423392 /nfs/dbraw/zinc/42/33/92/474423392.db2.gz ZORNMUMCRQIPAJ-UHFFFAOYSA-N 2 1 326.444 2.739 20 30 EFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333851 474496321 /nfs/dbraw/zinc/49/63/21/474496321.db2.gz VYOHKHGPTMLTTP-IBGZPJMESA-N 2 1 340.471 2.693 20 30 EFEDMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000266979526 474554796 /nfs/dbraw/zinc/55/47/96/474554796.db2.gz LVNXSXWRBKWFOG-CYBMUJFWSA-N 2 1 340.393 2.594 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000271509000 474576020 /nfs/dbraw/zinc/57/60/20/474576020.db2.gz RZELUMSTVBXUGZ-FXAWDEMLSA-N 2 1 345.487 2.816 20 30 EFEDMP C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532580 474576245 /nfs/dbraw/zinc/57/62/45/474576245.db2.gz YEWZMVKFZMMJGC-YADHBBJMSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532580 474576249 /nfs/dbraw/zinc/57/62/49/474576249.db2.gz YEWZMVKFZMMJGC-YADHBBJMSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532580 474576251 /nfs/dbraw/zinc/57/62/51/474576251.db2.gz YEWZMVKFZMMJGC-YADHBBJMSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532580 474576254 /nfs/dbraw/zinc/57/62/54/474576254.db2.gz YEWZMVKFZMMJGC-YADHBBJMSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532578 474576363 /nfs/dbraw/zinc/57/63/63/474576363.db2.gz YEWZMVKFZMMJGC-VXKWHMMOSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532578 474576366 /nfs/dbraw/zinc/57/63/66/474576366.db2.gz YEWZMVKFZMMJGC-VXKWHMMOSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532578 474576369 /nfs/dbraw/zinc/57/63/69/474576369.db2.gz YEWZMVKFZMMJGC-VXKWHMMOSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532578 474576372 /nfs/dbraw/zinc/57/63/72/474576372.db2.gz YEWZMVKFZMMJGC-VXKWHMMOSA-N 2 1 334.463 2.641 20 30 EFEDMP Cn1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874122 474688657 /nfs/dbraw/zinc/68/86/57/474688657.db2.gz DLFJRXPZQBKRDS-OAQYLSRUSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874122 474688681 /nfs/dbraw/zinc/68/86/81/474688681.db2.gz DLFJRXPZQBKRDS-OAQYLSRUSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874122 474688694 /nfs/dbraw/zinc/68/86/94/474688694.db2.gz DLFJRXPZQBKRDS-OAQYLSRUSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874119 474690047 /nfs/dbraw/zinc/69/00/47/474690047.db2.gz DLFJRXPZQBKRDS-NRFANRHFSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874119 474690073 /nfs/dbraw/zinc/69/00/73/474690073.db2.gz DLFJRXPZQBKRDS-NRFANRHFSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874119 474690083 /nfs/dbraw/zinc/69/00/83/474690083.db2.gz DLFJRXPZQBKRDS-NRFANRHFSA-N 2 1 349.482 2.876 20 30 EFEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678462 474779398 /nfs/dbraw/zinc/77/93/98/474779398.db2.gz LGAPALUFCZIJHU-WBVHZDCISA-N 2 1 331.460 2.950 20 30 EFEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678462 474779400 /nfs/dbraw/zinc/77/94/00/474779400.db2.gz LGAPALUFCZIJHU-WBVHZDCISA-N 2 1 331.460 2.950 20 30 EFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339014332 474835324 /nfs/dbraw/zinc/83/53/24/474835324.db2.gz RFFOQTZXAVWEGI-UYAOXDASSA-N 2 1 332.536 2.807 20 30 EFEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339014332 474835333 /nfs/dbraw/zinc/83/53/33/474835333.db2.gz RFFOQTZXAVWEGI-UYAOXDASSA-N 3 1 332.536 2.807 20 30 EFEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339014332 474835342 /nfs/dbraw/zinc/83/53/42/474835342.db2.gz RFFOQTZXAVWEGI-UYAOXDASSA-N 3 1 332.536 2.807 20 30 EFEDMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000268192455 474852771 /nfs/dbraw/zinc/85/27/71/474852771.db2.gz FCSVTYKZLNUHOG-UHFFFAOYSA-N 2 1 340.515 2.798 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000337428298 475007628 /nfs/dbraw/zinc/00/76/28/475007628.db2.gz CUUHAEBSWLQMAH-GBESFXJTSA-N 2 1 348.535 2.611 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000337428305 475008047 /nfs/dbraw/zinc/00/80/47/475008047.db2.gz CUUHAEBSWLQMAH-IPMKNSEASA-N 2 1 348.535 2.611 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460268 475039386 /nfs/dbraw/zinc/03/93/86/475039386.db2.gz ZMMBBRTUSRWPLX-GUDVDZBRSA-N 2 1 348.535 2.611 20 30 EFEDMP O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000328659755 475052102 /nfs/dbraw/zinc/05/21/02/475052102.db2.gz UCPLZSBPYNKDJN-RDJZCZTQSA-N 2 1 346.475 2.534 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000294549137 475071455 /nfs/dbraw/zinc/07/14/55/475071455.db2.gz BBMYKENIUOZLBP-HNNXBMFYSA-N 2 1 328.460 2.576 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000294549137 475071463 /nfs/dbraw/zinc/07/14/63/475071463.db2.gz BBMYKENIUOZLBP-HNNXBMFYSA-N 2 1 328.460 2.576 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000295061496 475100555 /nfs/dbraw/zinc/10/05/55/475100555.db2.gz RGRTUGOICICQTH-INIZCTEOSA-N 2 1 329.444 2.639 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000295061496 475100564 /nfs/dbraw/zinc/10/05/64/475100564.db2.gz RGRTUGOICICQTH-INIZCTEOSA-N 2 1 329.444 2.639 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326917 475233764 /nfs/dbraw/zinc/23/37/64/475233764.db2.gz XKYWBRMJUFHXLM-IEZWGBDMSA-N 2 1 344.478 2.986 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922447 475357692 /nfs/dbraw/zinc/35/76/92/475357692.db2.gz CPUOPENTWNZCGN-AXVVYFOYSA-N 2 1 348.535 2.672 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922447 475357699 /nfs/dbraw/zinc/35/76/99/475357699.db2.gz CPUOPENTWNZCGN-AXVVYFOYSA-N 2 1 348.535 2.672 20 30 EFEDMP C=CCOCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000348041185 475370515 /nfs/dbraw/zinc/37/05/15/475370515.db2.gz WNUSTDHENLJVIA-UHFFFAOYSA-N 2 1 337.552 2.707 20 30 EFEDMP C=CCOCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000348041185 475370523 /nfs/dbraw/zinc/37/05/23/475370523.db2.gz WNUSTDHENLJVIA-UHFFFAOYSA-N 3 1 337.552 2.707 20 30 EFEDMP C=CCOCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000348041185 475370532 /nfs/dbraw/zinc/37/05/32/475370532.db2.gz WNUSTDHENLJVIA-UHFFFAOYSA-N 3 1 337.552 2.707 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361344958 475371763 /nfs/dbraw/zinc/37/17/63/475371763.db2.gz HBMBVPJPKBWBAI-RRIFGTCXSA-N 2 1 344.478 2.984 20 30 EFEDMP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000348179752 475460139 /nfs/dbraw/zinc/46/01/39/475460139.db2.gz HEJGVMXDAINEIH-UHFFFAOYSA-N 2 1 341.499 2.537 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342110330 475558093 /nfs/dbraw/zinc/55/80/93/475558093.db2.gz SAPHURYFINHFJX-LAQRGFTBSA-N 2 1 347.528 2.710 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000352810957 475644831 /nfs/dbraw/zinc/64/48/31/475644831.db2.gz QPCVGEJMRMAATK-YLJYHZDGSA-N 2 1 341.499 2.795 20 30 EFEDMP CC(C)(C#N)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352890891 475663597 /nfs/dbraw/zinc/66/35/97/475663597.db2.gz BLCDHMGRZMDAII-FQEVSTJZSA-N 2 1 340.515 2.818 20 30 EFEDMP CC(C)(C#N)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352890891 475663606 /nfs/dbraw/zinc/66/36/06/475663606.db2.gz BLCDHMGRZMDAII-FQEVSTJZSA-N 2 1 340.515 2.818 20 30 EFEDMP CC(C)(C#N)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352891072 475663703 /nfs/dbraw/zinc/66/37/03/475663703.db2.gz BLCDHMGRZMDAII-HXUWFJFHSA-N 2 1 340.515 2.818 20 30 EFEDMP CC(C)(C#N)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352891072 475663711 /nfs/dbraw/zinc/66/37/11/475663711.db2.gz BLCDHMGRZMDAII-HXUWFJFHSA-N 2 1 340.515 2.818 20 30 EFEDMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218178 476511766 /nfs/dbraw/zinc/51/17/66/476511766.db2.gz ABTKATLMSHMIBB-DOTOQJQBSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218178 476511790 /nfs/dbraw/zinc/51/17/90/476511790.db2.gz ABTKATLMSHMIBB-DOTOQJQBSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218178 476511796 /nfs/dbraw/zinc/51/17/96/476511796.db2.gz ABTKATLMSHMIBB-DOTOQJQBSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518700 /nfs/dbraw/zinc/51/87/00/476518700.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518704 /nfs/dbraw/zinc/51/87/04/476518704.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518712 /nfs/dbraw/zinc/51/87/12/476518712.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 2 1 328.460 2.691 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430583437 476868793 /nfs/dbraw/zinc/86/87/93/476868793.db2.gz SFNGNJIJZBBTDH-HRCADAONSA-N 2 1 335.517 2.710 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430583437 476868799 /nfs/dbraw/zinc/86/87/99/476868799.db2.gz SFNGNJIJZBBTDH-HRCADAONSA-N 2 1 335.517 2.710 20 30 EFEDMP CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422979198 476875528 /nfs/dbraw/zinc/87/55/28/476875528.db2.gz LVZFETJEQXFNKE-JQHSSLGASA-N 2 1 330.451 2.786 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422986013 476880240 /nfs/dbraw/zinc/88/02/40/476880240.db2.gz GILXWLNUVLLKLF-OTWHNJEPSA-N 2 1 345.512 2.538 20 30 EFEDMP C=CC[C@@H]1[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CCCC1(C)C ZINC000446828265 476923955 /nfs/dbraw/zinc/92/39/55/476923955.db2.gz SOPXCNYQZQSDIW-SFHVURJKSA-N 2 1 343.519 2.795 20 30 EFEDMP C=CC[C@@H]1[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1(C)C ZINC000446828265 476923963 /nfs/dbraw/zinc/92/39/63/476923963.db2.gz SOPXCNYQZQSDIW-SFHVURJKSA-N 2 1 343.519 2.795 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430932387 476940502 /nfs/dbraw/zinc/94/05/02/476940502.db2.gz GDBJTFVXKKUNTF-CQSZACIVSA-N 2 1 333.501 2.962 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900644 477072138 /nfs/dbraw/zinc/07/21/38/477072138.db2.gz HLIXNAPPWOMIBQ-PXNSSMCTSA-N 2 1 326.488 2.720 20 30 EFEDMP C=C[C@H](CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156263 477156265 /nfs/dbraw/zinc/15/62/65/477156265.db2.gz QPXXYOZPJOZYOG-IEBWSBKVSA-N 2 1 341.499 2.631 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000432366122 477202989 /nfs/dbraw/zinc/20/29/89/477202989.db2.gz BSVPEMOLAYQVCV-GOSISDBHSA-N 2 1 345.487 2.960 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000371294704 477223790 /nfs/dbraw/zinc/22/37/90/477223790.db2.gz MQJDXRGQQSPFBS-HOJAQTOUSA-N 2 1 343.471 2.511 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411419619 477228168 /nfs/dbraw/zinc/22/81/68/477228168.db2.gz TXOMTHLJZSPHGP-MOPGFXCFSA-N 2 1 332.536 2.808 20 30 EFEDMP C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411419625 477230036 /nfs/dbraw/zinc/23/00/36/477230036.db2.gz TXOMTHLJZSPHGP-RBUKOAKNSA-N 2 1 332.536 2.808 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126020 477299242 /nfs/dbraw/zinc/29/92/42/477299242.db2.gz BAQXXDHXANEBHS-MAUKXSAKSA-N 2 1 328.460 2.878 20 30 EFEDMP C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371468556 477337063 /nfs/dbraw/zinc/33/70/63/477337063.db2.gz BCLQFWSWGLPCTM-HLAWJBBLSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371468556 477337068 /nfs/dbraw/zinc/33/70/68/477337068.db2.gz BCLQFWSWGLPCTM-HLAWJBBLSA-N 2 1 342.483 2.772 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371471198 477341356 /nfs/dbraw/zinc/34/13/56/477341356.db2.gz RURSJVOIRHRYDZ-WSTLGDPDSA-N 2 1 343.471 2.661 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371471198 477341361 /nfs/dbraw/zinc/34/13/61/477341361.db2.gz RURSJVOIRHRYDZ-WSTLGDPDSA-N 2 1 343.471 2.661 20 30 EFEDMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000367201462 477389533 /nfs/dbraw/zinc/38/95/33/477389533.db2.gz SUAZSHBQRPCXLE-UHFFFAOYSA-N 2 1 340.471 2.695 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000437095459 477670849 /nfs/dbraw/zinc/67/08/49/477670849.db2.gz KNIAVWPSPJRNAL-FQXVJMBOSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C ZINC000437095459 477670855 /nfs/dbraw/zinc/67/08/55/477670855.db2.gz KNIAVWPSPJRNAL-FQXVJMBOSA-N 2 1 328.460 2.716 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000372300971 477745401 /nfs/dbraw/zinc/74/54/01/477745401.db2.gz GDRQFKHFVAUQCG-LJQANCHMSA-N 2 1 342.487 2.513 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000372300971 477745406 /nfs/dbraw/zinc/74/54/06/477745406.db2.gz GDRQFKHFVAUQCG-LJQANCHMSA-N 2 1 342.487 2.513 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398902 477748900 /nfs/dbraw/zinc/74/89/00/477748900.db2.gz HEFQGXLQMBCXDG-JYJNAYRXSA-N 2 1 335.517 2.568 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398902 477748902 /nfs/dbraw/zinc/74/89/02/477748902.db2.gz HEFQGXLQMBCXDG-JYJNAYRXSA-N 2 1 335.517 2.568 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290093 477973481 /nfs/dbraw/zinc/97/34/81/477973481.db2.gz IDOVHKNMYLRSPY-CALCHBBNSA-N 2 1 342.487 2.665 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000532950896 478011920 /nfs/dbraw/zinc/01/19/20/478011920.db2.gz VOVLSSRLRMEOQH-UHFFFAOYSA-N 2 1 342.487 2.939 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000482131384 478026112 /nfs/dbraw/zinc/02/61/12/478026112.db2.gz GOCRPSJYXSQDCO-MSOLQXFVSA-N 2 1 348.535 2.819 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000421362535 478053753 /nfs/dbraw/zinc/05/37/53/478053753.db2.gz JHHVFQMWPHVWBP-RTBURBONSA-N 2 1 331.435 2.555 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000441245940 478202931 /nfs/dbraw/zinc/20/29/31/478202931.db2.gz OCULWRLNOUTXOY-ZHALLVOQSA-N 2 1 348.535 2.609 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000579703162 478346723 /nfs/dbraw/zinc/34/67/23/478346723.db2.gz CHDNKQXRSAOITK-FPOVZHCZSA-N 2 1 344.499 2.682 20 30 EFEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000524156255 478389173 /nfs/dbraw/zinc/38/91/73/478389173.db2.gz ZLBRETKEVZSKKD-INIZCTEOSA-N 2 1 342.487 2.937 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000524156255 478389183 /nfs/dbraw/zinc/38/91/83/478389183.db2.gz ZLBRETKEVZSKKD-INIZCTEOSA-N 2 1 342.487 2.937 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594453945 478397019 /nfs/dbraw/zinc/39/70/19/478397019.db2.gz PNSYGPKVESZYOF-IEBWSBKVSA-N 2 1 348.535 2.901 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594453946 478397359 /nfs/dbraw/zinc/39/73/59/478397359.db2.gz PNSYGPKVESZYOF-MJGOQNOKSA-N 2 1 348.535 2.901 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594453941 478397389 /nfs/dbraw/zinc/39/73/89/478397389.db2.gz PNSYGPKVESZYOF-HKUYNNGSSA-N 2 1 348.535 2.901 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000525886003 478397955 /nfs/dbraw/zinc/39/79/55/478397955.db2.gz CEAJLWJXMNUQAM-GOSISDBHSA-N 2 1 346.906 2.812 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000525886003 478397963 /nfs/dbraw/zinc/39/79/63/478397963.db2.gz CEAJLWJXMNUQAM-GOSISDBHSA-N 2 1 346.906 2.812 20 30 EFEDMP N#CCCN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000591020606 478434210 /nfs/dbraw/zinc/43/42/10/478434210.db2.gz RIUVMKQUJAGNBQ-UHFFFAOYSA-N 2 1 326.488 2.704 20 30 EFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539860755 478446879 /nfs/dbraw/zinc/44/68/79/478446879.db2.gz XAUHAPVZPBBHAL-FQEVSTJZSA-N 2 1 343.515 2.852 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582323 478587515 /nfs/dbraw/zinc/58/75/15/478587515.db2.gz HXPVBXSXOLJBCN-HXUWFJFHSA-N 2 1 338.499 2.787 20 30 EFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673936 /nfs/dbraw/zinc/67/39/36/478673936.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 2 1 327.516 2.627 20 30 EFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673945 /nfs/dbraw/zinc/67/39/45/478673945.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 2 1 327.516 2.627 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497126457 478729018 /nfs/dbraw/zinc/72/90/18/478729018.db2.gz HSMLYVCGZYLWMU-JXFKEZNVSA-N 2 1 349.519 2.874 20 30 EFEDMP C[N@H+](CCc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000595447894 478791471 /nfs/dbraw/zinc/79/14/71/478791471.db2.gz GXTXEINJIHEWTK-QFIPXVFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000595447894 478791479 /nfs/dbraw/zinc/79/14/79/478791479.db2.gz GXTXEINJIHEWTK-QFIPXVFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000595447894 478791488 /nfs/dbraw/zinc/79/14/88/478791488.db2.gz GXTXEINJIHEWTK-QFIPXVFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000595447894 478791493 /nfs/dbraw/zinc/79/14/93/478791493.db2.gz GXTXEINJIHEWTK-QFIPXVFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000564825907 478822588 /nfs/dbraw/zinc/82/25/88/478822588.db2.gz QFSDDDAHFFNKJX-HFTRVMKXSA-N 2 1 330.451 2.786 20 30 EFEDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000564825908 478823266 /nfs/dbraw/zinc/82/32/66/478823266.db2.gz QFSDDDAHFFNKJX-KYJSFNMBSA-N 2 1 330.451 2.786 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000572475896 478845010 /nfs/dbraw/zinc/84/50/10/478845010.db2.gz ZPGBEHITYWGLMG-MRXNPFEDSA-N 2 1 338.879 2.710 20 30 EFEDMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598602867 478921806 /nfs/dbraw/zinc/92/18/06/478921806.db2.gz WKHZKYHILHDEDH-WDSOQIARSA-N 2 1 329.488 2.787 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000598614571 478926840 /nfs/dbraw/zinc/92/68/40/478926840.db2.gz QQHFBPBMEXWIJZ-QGZVFWFLSA-N 2 1 330.476 2.700 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000598718468 478989505 /nfs/dbraw/zinc/98/95/05/478989505.db2.gz BLOBGMTZPVWREA-RBUKOAKNSA-N 2 1 329.488 2.789 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963103 479097657 /nfs/dbraw/zinc/09/76/57/479097657.db2.gz BXUGEDALNOUDTO-FGZHOGPDSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963103 479097663 /nfs/dbraw/zinc/09/76/63/479097663.db2.gz BXUGEDALNOUDTO-FGZHOGPDSA-N 2 1 347.462 2.772 20 30 EFEDMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994838 479119585 /nfs/dbraw/zinc/11/95/85/479119585.db2.gz UDFAERSAJNYQJG-GOSISDBHSA-N 2 1 326.488 2.849 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2cccnc2)C1)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000568877484 479131517 /nfs/dbraw/zinc/13/15/17/479131517.db2.gz JTQCEONBVVCXOC-VXKWHMMOSA-N 2 1 346.478 2.759 20 30 EFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110032 479253113 /nfs/dbraw/zinc/25/31/13/479253113.db2.gz KDVBLHZJWSQUHO-GOSISDBHSA-N 2 1 348.535 2.915 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110703 479254609 /nfs/dbraw/zinc/25/46/09/479254609.db2.gz PFVDTQGSWHBPMR-MJGOQNOKSA-N 2 1 336.524 2.627 20 30 EFEDMP Cc1oc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603113201 479255960 /nfs/dbraw/zinc/25/59/60/479255960.db2.gz ZSSZUQGCSURYQA-UHFFFAOYSA-N 2 1 346.475 2.905 20 30 EFEDMP Cc1oc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603113201 479255967 /nfs/dbraw/zinc/25/59/67/479255967.db2.gz ZSSZUQGCSURYQA-UHFFFAOYSA-N 2 1 346.475 2.905 20 30 EFEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602538394 479387480 /nfs/dbraw/zinc/38/74/80/479387480.db2.gz LHXIVEHUHMQPHE-TZIWHRDSSA-N 2 1 338.499 2.932 20 30 EFEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602538394 479387484 /nfs/dbraw/zinc/38/74/84/479387484.db2.gz LHXIVEHUHMQPHE-TZIWHRDSSA-N 2 1 338.499 2.932 20 30 EFEDMP N#CCN1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602538392 479387908 /nfs/dbraw/zinc/38/79/08/479387908.db2.gz LHXIVEHUHMQPHE-PZJWPPBQSA-N 2 1 338.499 2.932 20 30 EFEDMP N#CCN1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602538392 479387912 /nfs/dbraw/zinc/38/79/12/479387912.db2.gz LHXIVEHUHMQPHE-PZJWPPBQSA-N 2 1 338.499 2.932 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000611518277 479402970 /nfs/dbraw/zinc/40/29/70/479402970.db2.gz RRMWLKBNEWRDIM-GOSISDBHSA-N 2 1 340.496 2.698 20 30 EFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000611518278 479403004 /nfs/dbraw/zinc/40/30/04/479403004.db2.gz RRMWLKBNEWRDIM-SFHVURJKSA-N 2 1 340.496 2.698 20 30 EFEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592007 479413414 /nfs/dbraw/zinc/41/34/14/479413414.db2.gz GHVJVJZOZSNXFI-RBUKOAKNSA-N 2 1 342.487 2.569 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593702001 479429012 /nfs/dbraw/zinc/42/90/12/479429012.db2.gz JRKFSYKVZBFNSZ-UTKZUKDTSA-N 2 1 340.515 2.843 20 30 EFEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000615094049 479598774 /nfs/dbraw/zinc/59/87/74/479598774.db2.gz XTDPRNSQAOJVQO-QGLXBCBXSA-N 2 1 340.471 2.860 20 30 EFEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614167234 480212624 /nfs/dbraw/zinc/21/26/24/480212624.db2.gz BGQVHBGBBKMYPG-HXUWFJFHSA-N 2 1 340.515 2.700 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000644549026 480432893 /nfs/dbraw/zinc/43/28/93/480432893.db2.gz DUQMIHUOJOAVPB-LJQANCHMSA-N 2 1 332.488 2.592 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000644549134 480433299 /nfs/dbraw/zinc/43/32/99/480433299.db2.gz ZMRNNSQHSCESDT-LJQANCHMSA-N 2 1 346.515 2.964 20 30 EFEDMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181663039 523920718 /nfs/dbraw/zinc/92/07/18/523920718.db2.gz LCIDSZCHGQIQBD-KRWDZBQOSA-N 2 1 328.504 2.843 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157203025 526769499 /nfs/dbraw/zinc/76/94/99/526769499.db2.gz CFIVAXPWTRFTSA-INIZCTEOSA-N 2 1 346.500 2.899 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157203025 526769503 /nfs/dbraw/zinc/76/95/03/526769503.db2.gz CFIVAXPWTRFTSA-INIZCTEOSA-N 2 1 346.500 2.899 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000162816384 527261882 /nfs/dbraw/zinc/26/18/82/527261882.db2.gz XWNXHYRKYBHQGZ-UFYCRDLUSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000162816384 527261890 /nfs/dbraw/zinc/26/18/90/527261890.db2.gz XWNXHYRKYBHQGZ-UFYCRDLUSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000162816384 527261895 /nfs/dbraw/zinc/26/18/95/527261895.db2.gz XWNXHYRKYBHQGZ-UFYCRDLUSA-N 2 1 344.499 2.571 20 30 EFEDMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191382445 528103549 /nfs/dbraw/zinc/10/35/49/528103549.db2.gz DUHATPMSXACCFV-UHFFFAOYSA-N 2 1 328.504 2.798 20 30 EFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005116 536382343 /nfs/dbraw/zinc/38/23/43/536382343.db2.gz KYTCRJVSDXHVKG-CJNGLKHVSA-N 2 1 329.473 2.953 20 30 EFEDMP C=CCCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389234 547142056 /nfs/dbraw/zinc/14/20/56/547142056.db2.gz TWLSJFOTZSXBSV-MJGOQNOKSA-N 2 1 339.487 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000760160923 575985323 /nfs/dbraw/zinc/98/53/23/575985323.db2.gz UAWQNPUDISGHDS-GDBMZVCRSA-N 2 1 344.446 2.984 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515487 577369105 /nfs/dbraw/zinc/36/91/05/577369105.db2.gz QYMKHGPUNJKCCZ-PXNSSMCTSA-N 2 1 345.487 2.910 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754375365 1248955747 /nfs/dbraw/zinc/95/57/47/1248955747.db2.gz AAFQVTNVXONGLD-MRXNPFEDSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001754869704 1249341686 /nfs/dbraw/zinc/34/16/86/1249341686.db2.gz OVWAZNKJBTVHQC-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001754869704 1249341699 /nfs/dbraw/zinc/34/16/99/1249341699.db2.gz OVWAZNKJBTVHQC-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684492 1252167333 /nfs/dbraw/zinc/16/73/33/1252167333.db2.gz QCGCFVCERVSLIC-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684492 1252167335 /nfs/dbraw/zinc/16/73/35/1252167335.db2.gz QCGCFVCERVSLIC-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684492 1252167338 /nfs/dbraw/zinc/16/73/38/1252167338.db2.gz QCGCFVCERVSLIC-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686150 1252173944 /nfs/dbraw/zinc/17/39/44/1252173944.db2.gz NALAGDSZAVXWDS-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686150 1252173958 /nfs/dbraw/zinc/17/39/58/1252173958.db2.gz NALAGDSZAVXWDS-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686150 1252173971 /nfs/dbraw/zinc/17/39/71/1252173971.db2.gz NALAGDSZAVXWDS-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689814 1252207733 /nfs/dbraw/zinc/20/77/33/1252207733.db2.gz JJKKGNQGRDQDJI-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689814 1252207746 /nfs/dbraw/zinc/20/77/46/1252207746.db2.gz JJKKGNQGRDQDJI-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689812 1252209103 /nfs/dbraw/zinc/20/91/03/1252209103.db2.gz JJKKGNQGRDQDJI-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689812 1252209110 /nfs/dbraw/zinc/20/91/10/1252209110.db2.gz JJKKGNQGRDQDJI-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825633 1254745967 /nfs/dbraw/zinc/74/59/67/1254745967.db2.gz VWLYSHLSZAUSRL-AEFFLSMTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895517 1254819480 /nfs/dbraw/zinc/81/94/80/1254819480.db2.gz LQVYDUFWYHVFOO-JKSUJKDBSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895041 1254820035 /nfs/dbraw/zinc/82/00/35/1254820035.db2.gz LQVYDUFWYHVFOO-CVEARBPZSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995921654 1254842948 /nfs/dbraw/zinc/84/29/48/1254842948.db2.gz XJPSSHIPNLSSLV-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995921659 1254843674 /nfs/dbraw/zinc/84/36/74/1254843674.db2.gz XJPSSHIPNLSSLV-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190636 1255065687 /nfs/dbraw/zinc/06/56/87/1255065687.db2.gz MJVXNZQFCYCQLC-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676810 1255727260 /nfs/dbraw/zinc/72/72/60/1255727260.db2.gz PQYMKCNFNOHYGN-MSOLQXFVSA-N 2 1 329.488 2.692 20 30 EFEDMP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098819552 1255735276 /nfs/dbraw/zinc/73/52/76/1255735276.db2.gz ALDOVSNXNKORLD-UYAOXDASSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3ccnc3CC)CCC[C@@H]12 ZINC001107413782 1255778883 /nfs/dbraw/zinc/77/88/83/1255778883.db2.gz RXRJEHLLGXIRKI-MBOZVWFJSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413782 1255778885 /nfs/dbraw/zinc/77/88/85/1255778885.db2.gz RXRJEHLLGXIRKI-MBOZVWFJSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413782 1255778895 /nfs/dbraw/zinc/77/88/95/1255778895.db2.gz RXRJEHLLGXIRKI-MBOZVWFJSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424631 1255783501 /nfs/dbraw/zinc/78/35/01/1255783501.db2.gz YTQIRDCVSJKQAA-ZHALLVOQSA-N 2 1 339.499 2.603 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424410 1255784153 /nfs/dbraw/zinc/78/41/53/1255784153.db2.gz MRWCQZRSZADANM-YQVWRLOYSA-N 2 1 339.499 2.603 20 30 EFEDMP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098820235 1255815365 /nfs/dbraw/zinc/81/53/65/1255815365.db2.gz HBPKKRDGEUCTJG-AZUAARDMSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436633 1255815632 /nfs/dbraw/zinc/81/56/32/1255815632.db2.gz HODDAWSVQSBIJQ-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457733 1255873436 /nfs/dbraw/zinc/87/34/36/1255873436.db2.gz MPJYAFOXOYBCIG-WIYYLYMNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457733 1255873442 /nfs/dbraw/zinc/87/34/42/1255873442.db2.gz MPJYAFOXOYBCIG-WIYYLYMNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457733 1255873446 /nfs/dbraw/zinc/87/34/46/1255873446.db2.gz MPJYAFOXOYBCIG-WIYYLYMNSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547078 1256106732 /nfs/dbraw/zinc/10/67/32/1256106732.db2.gz ZOBCDWJMONXXGN-JFIYKMOQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118707 /nfs/dbraw/zinc/11/87/07/1256118707.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118714 /nfs/dbraw/zinc/11/87/14/1256118714.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118717 /nfs/dbraw/zinc/11/87/17/1256118717.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566597 1256155045 /nfs/dbraw/zinc/15/50/45/1256155045.db2.gz BQJXSEVWNGNLJV-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582247 1256179611 /nfs/dbraw/zinc/17/96/11/1256179611.db2.gz ZFLIHJSBKPUJLW-SFHLNBCPSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688188 1256203965 /nfs/dbraw/zinc/20/39/65/1256203965.db2.gz OZDCDROYBKZEJA-SFHVURJKSA-N 2 1 333.520 2.540 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652197 1256367056 /nfs/dbraw/zinc/36/70/56/1256367056.db2.gz HHUCBSFZMLIMPQ-TZIWHRDSSA-N 2 1 345.531 2.637 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131933 1257027985 /nfs/dbraw/zinc/02/79/85/1257027985.db2.gz JJLAKRVVJHBEPR-WBVHZDCISA-N 2 1 330.476 2.553 20 30 EFEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997140830 1257055062 /nfs/dbraw/zinc/05/50/62/1257055062.db2.gz WRTGUVIGHZWJCH-YLJYHZDGSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997281190 1257343891 /nfs/dbraw/zinc/34/38/91/1257343891.db2.gz ZRHRRGSQBIENGJ-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997298462 1257368856 /nfs/dbraw/zinc/36/88/56/1257368856.db2.gz PGCDYKXKEIAIIN-CRAIPNDOSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032489121 1257827728 /nfs/dbraw/zinc/82/77/28/1257827728.db2.gz UYCZTGABMUAOPO-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032489121 1257827733 /nfs/dbraw/zinc/82/77/33/1257827733.db2.gz UYCZTGABMUAOPO-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032489121 1257827740 /nfs/dbraw/zinc/82/77/40/1257827740.db2.gz UYCZTGABMUAOPO-ROUUACIJSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617405 1258120806 /nfs/dbraw/zinc/12/08/06/1258120806.db2.gz GIJBAHGFXWHMQK-WMZOPIPTSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653200 1258176547 /nfs/dbraw/zinc/17/65/47/1258176547.db2.gz IKPPCQBHLCMADS-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725508 1258312566 /nfs/dbraw/zinc/31/25/66/1258312566.db2.gz GIOWGTBZXTYTEP-HKUYNNGSSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997748921 1258351503 /nfs/dbraw/zinc/35/15/03/1258351503.db2.gz RHVAKYCYHUFSTM-YJBOKZPZSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007973 1258935105 /nfs/dbraw/zinc/93/51/05/1258935105.db2.gz PYVVTHHAYFYJMN-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021703 1258973993 /nfs/dbraw/zinc/97/39/93/1258973993.db2.gz HBZPOMDEXLYVMM-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998021703 1258973996 /nfs/dbraw/zinc/97/39/96/1258973996.db2.gz HBZPOMDEXLYVMM-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021703 1258974002 /nfs/dbraw/zinc/97/40/02/1258974002.db2.gz HBZPOMDEXLYVMM-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000998042563 1259011980 /nfs/dbraw/zinc/01/19/80/1259011980.db2.gz WAWSOVOHIAMSOH-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998042563 1259011987 /nfs/dbraw/zinc/01/19/87/1259011987.db2.gz WAWSOVOHIAMSOH-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998042563 1259011995 /nfs/dbraw/zinc/01/19/95/1259011995.db2.gz WAWSOVOHIAMSOH-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998065844 1259060476 /nfs/dbraw/zinc/06/04/76/1259060476.db2.gz XUXPQPAYVCWXRW-KRWDZBQOSA-N 2 1 326.444 2.837 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998090844 1259096046 /nfs/dbraw/zinc/09/60/46/1259096046.db2.gz BOAYRVNPUYPUPE-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090844 1259096051 /nfs/dbraw/zinc/09/60/51/1259096051.db2.gz BOAYRVNPUYPUPE-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090844 1259096055 /nfs/dbraw/zinc/09/60/55/1259096055.db2.gz BOAYRVNPUYPUPE-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093250 1259102355 /nfs/dbraw/zinc/10/23/55/1259102355.db2.gz HCJVKWPUAVOWGN-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093250 1259102359 /nfs/dbraw/zinc/10/23/59/1259102359.db2.gz HCJVKWPUAVOWGN-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998108883 1259120945 /nfs/dbraw/zinc/12/09/45/1259120945.db2.gz HELFFWQVNSNXRD-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165578 1259181648 /nfs/dbraw/zinc/18/16/48/1259181648.db2.gz MTXJPGGUMZSROC-HXUWFJFHSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(C)C)CC2)CC1 ZINC000998198981 1259223936 /nfs/dbraw/zinc/22/39/36/1259223936.db2.gz PEQULFTYMDZQME-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001670976965 1259260652 /nfs/dbraw/zinc/26/06/52/1259260652.db2.gz LNEQENJCXVJTPP-IBGZPJMESA-N 2 1 335.536 2.737 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273144609 1260236305 /nfs/dbraw/zinc/23/63/05/1260236305.db2.gz RXQQBAUEXLXIBJ-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273144610 1260236314 /nfs/dbraw/zinc/23/63/14/1260236314.db2.gz RXQQBAUEXLXIBJ-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999159376 1260266810 /nfs/dbraw/zinc/26/68/10/1260266810.db2.gz ADMJINWJSUZVOQ-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999355761 1260537939 /nfs/dbraw/zinc/53/79/39/1260537939.db2.gz XDMMRWGPVPYRKK-WBVHZDCISA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999355815 1260538586 /nfs/dbraw/zinc/53/85/86/1260538586.db2.gz XRTNHERYXRSNFU-HOTGVXAUSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999984217 1261025074 /nfs/dbraw/zinc/02/50/74/1261025074.db2.gz OHTYTUJWHZXZMH-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC001000184098 1261179349 /nfs/dbraw/zinc/17/93/49/1261179349.db2.gz HCFKPDDZIZOEMG-RBUKOAKNSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870460 1261196953 /nfs/dbraw/zinc/19/69/53/1261196953.db2.gz PQDWXAJENHLUQL-NRFANRHFSA-N 2 1 341.499 2.751 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888307 1261236996 /nfs/dbraw/zinc/23/69/96/1261236996.db2.gz VECQHTMXDWKEJZ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006086570 1261682589 /nfs/dbraw/zinc/68/25/89/1261682589.db2.gz IZOBLPDXEYOVKP-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905030 1261726397 /nfs/dbraw/zinc/72/63/97/1261726397.db2.gz ZFISIPZXBIQQBQ-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412601 1263038231 /nfs/dbraw/zinc/03/82/31/1263038231.db2.gz XCVPELBQHCMTKA-CQSZACIVSA-N 2 1 331.932 2.837 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164541242 1263151584 /nfs/dbraw/zinc/15/15/84/1263151584.db2.gz XYGVAXMNASAMNM-GOSISDBHSA-N 2 1 345.531 2.540 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164541243 1263151700 /nfs/dbraw/zinc/15/17/00/1263151700.db2.gz XYGVAXMNASAMNM-SFHVURJKSA-N 2 1 345.531 2.540 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406163 1263916443 /nfs/dbraw/zinc/91/64/43/1263916443.db2.gz HXOPEVZOBOXSSV-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406163 1263916444 /nfs/dbraw/zinc/91/64/44/1263916444.db2.gz HXOPEVZOBOXSSV-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406163 1263916445 /nfs/dbraw/zinc/91/64/45/1263916445.db2.gz HXOPEVZOBOXSSV-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084472880 1263943730 /nfs/dbraw/zinc/94/37/30/1263943730.db2.gz YJCLHMSMAYNCPX-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476012 1263970073 /nfs/dbraw/zinc/97/00/73/1263970073.db2.gz FKJBDSQQQHWFPC-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476012 1263970082 /nfs/dbraw/zinc/97/00/82/1263970082.db2.gz FKJBDSQQQHWFPC-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476012 1263970090 /nfs/dbraw/zinc/97/00/90/1263970090.db2.gz FKJBDSQQQHWFPC-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545099 1264013778 /nfs/dbraw/zinc/01/37/78/1264013778.db2.gz WUVGKEGIZJBAII-UYAOXDASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663602 1264169634 /nfs/dbraw/zinc/16/96/34/1264169634.db2.gz KGNDUCSDEQRKQV-WOJBJXKFSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700807 1264246001 /nfs/dbraw/zinc/24/60/01/1264246001.db2.gz BBJGEHHAWWFDNZ-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953421 1264755348 /nfs/dbraw/zinc/75/53/48/1264755348.db2.gz KKWBANYWKBNMMY-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953421 1264755352 /nfs/dbraw/zinc/75/53/52/1264755352.db2.gz KKWBANYWKBNMMY-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953421 1264755357 /nfs/dbraw/zinc/75/53/57/1264755357.db2.gz KKWBANYWKBNMMY-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953421 1264755364 /nfs/dbraw/zinc/75/53/64/1264755364.db2.gz KKWBANYWKBNMMY-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962634 1264768740 /nfs/dbraw/zinc/76/87/40/1264768740.db2.gz ZFWYWRJLXWBDKR-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962634 1264768750 /nfs/dbraw/zinc/76/87/50/1264768750.db2.gz ZFWYWRJLXWBDKR-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962634 1264768762 /nfs/dbraw/zinc/76/87/62/1264768762.db2.gz ZFWYWRJLXWBDKR-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962634 1264768768 /nfs/dbraw/zinc/76/87/68/1264768768.db2.gz ZFWYWRJLXWBDKR-IKGGRYGDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963438 1264769639 /nfs/dbraw/zinc/76/96/39/1264769639.db2.gz UZMUYYRXEYZCOO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963438 1264769645 /nfs/dbraw/zinc/76/96/45/1264769645.db2.gz UZMUYYRXEYZCOO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963438 1264769653 /nfs/dbraw/zinc/76/96/53/1264769653.db2.gz UZMUYYRXEYZCOO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978522 1264808085 /nfs/dbraw/zinc/80/80/85/1264808085.db2.gz WKVHYVBXRBVYOO-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978522 1264808095 /nfs/dbraw/zinc/80/80/95/1264808095.db2.gz WKVHYVBXRBVYOO-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978522 1264808108 /nfs/dbraw/zinc/80/81/08/1264808108.db2.gz WKVHYVBXRBVYOO-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492193 1264817930 /nfs/dbraw/zinc/81/79/30/1264817930.db2.gz CQHWHVVZABZEOB-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101547 1265144773 /nfs/dbraw/zinc/14/47/73/1265144773.db2.gz QACSECSCILJFFH-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733330728 1265172692 /nfs/dbraw/zinc/17/26/92/1265172692.db2.gz KMOPMPUMLPXWQS-OAQYLSRUSA-N 2 1 342.483 2.822 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083106 1266451200 /nfs/dbraw/zinc/45/12/00/1266451200.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083106 1266451203 /nfs/dbraw/zinc/45/12/03/1266451203.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083106 1266451206 /nfs/dbraw/zinc/45/12/06/1266451206.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592332 1266602637 /nfs/dbraw/zinc/60/26/37/1266602637.db2.gz HZAKQZSLKQFKIU-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592332 1266602644 /nfs/dbraw/zinc/60/26/44/1266602644.db2.gz HZAKQZSLKQFKIU-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592332 1266602648 /nfs/dbraw/zinc/60/26/48/1266602648.db2.gz HZAKQZSLKQFKIU-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004447499 1267027239 /nfs/dbraw/zinc/02/72/39/1267027239.db2.gz SPQMHLBBFJTERW-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004447499 1267027248 /nfs/dbraw/zinc/02/72/48/1267027248.db2.gz SPQMHLBBFJTERW-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004447499 1267027259 /nfs/dbraw/zinc/02/72/59/1267027259.db2.gz SPQMHLBBFJTERW-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004474882 1267122752 /nfs/dbraw/zinc/12/27/52/1267122752.db2.gz FRPCIVZZMTWWRY-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476060 1267128047 /nfs/dbraw/zinc/12/80/47/1267128047.db2.gz BYVFFHVOFAJXNC-SFHVURJKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085332327 1267180345 /nfs/dbraw/zinc/18/03/45/1267180345.db2.gz SXBXIIIMRMQZNQ-GPMSIDNRSA-N 2 1 339.499 2.792 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621298 1267194041 /nfs/dbraw/zinc/19/40/41/1267194041.db2.gz SUXCJBYSTIUPLI-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621298 1267194047 /nfs/dbraw/zinc/19/40/47/1267194047.db2.gz SUXCJBYSTIUPLI-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621298 1267194051 /nfs/dbraw/zinc/19/40/51/1267194051.db2.gz SUXCJBYSTIUPLI-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623767 1267218318 /nfs/dbraw/zinc/21/83/18/1267218318.db2.gz QCUZNNGRCCIHSP-KSZLIROESA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623767 1267218328 /nfs/dbraw/zinc/21/83/28/1267218328.db2.gz QCUZNNGRCCIHSP-KSZLIROESA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004526337 1267224756 /nfs/dbraw/zinc/22/47/56/1267224756.db2.gz ZVRVGGNOHPDEIY-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004547655 1267270000 /nfs/dbraw/zinc/27/00/00/1267270000.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004547655 1267270008 /nfs/dbraw/zinc/27/00/08/1267270008.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004547655 1267270020 /nfs/dbraw/zinc/27/00/20/1267270020.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271687 /nfs/dbraw/zinc/27/16/87/1267271687.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271696 /nfs/dbraw/zinc/27/16/96/1267271696.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271709 /nfs/dbraw/zinc/27/17/09/1267271709.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004539895 1267280212 /nfs/dbraw/zinc/28/02/12/1267280212.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539895 1267280219 /nfs/dbraw/zinc/28/02/19/1267280219.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539895 1267280232 /nfs/dbraw/zinc/28/02/32/1267280232.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282269 /nfs/dbraw/zinc/28/22/69/1267282269.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282275 /nfs/dbraw/zinc/28/22/75/1267282275.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282284 /nfs/dbraw/zinc/28/22/84/1267282284.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282464 /nfs/dbraw/zinc/28/24/64/1267282464.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282473 /nfs/dbraw/zinc/28/24/73/1267282473.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282487 /nfs/dbraw/zinc/28/24/87/1267282487.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001004572088 1267310440 /nfs/dbraw/zinc/31/04/40/1267310440.db2.gz ZCYVKATVNSXOPU-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572088 1267310449 /nfs/dbraw/zinc/31/04/49/1267310449.db2.gz ZCYVKATVNSXOPU-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572088 1267310461 /nfs/dbraw/zinc/31/04/61/1267310461.db2.gz ZCYVKATVNSXOPU-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004586942 1267344949 /nfs/dbraw/zinc/34/49/49/1267344949.db2.gz WKMRIWFFCPVRQF-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148072 1267397347 /nfs/dbraw/zinc/39/73/47/1267397347.db2.gz BOICOQDJZVKPIT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033148072 1267397360 /nfs/dbraw/zinc/39/73/60/1267397360.db2.gz BOICOQDJZVKPIT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033148072 1267397368 /nfs/dbraw/zinc/39/73/68/1267397368.db2.gz BOICOQDJZVKPIT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004617964 1267412180 /nfs/dbraw/zinc/41/21/80/1267412180.db2.gz UYTJJAJLVBXEIB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004617964 1267412183 /nfs/dbraw/zinc/41/21/83/1267412183.db2.gz UYTJJAJLVBXEIB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004617964 1267412187 /nfs/dbraw/zinc/41/21/87/1267412187.db2.gz UYTJJAJLVBXEIB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619893 1267414395 /nfs/dbraw/zinc/41/43/95/1267414395.db2.gz NGSGTGRUVWQKOC-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619893 1267414400 /nfs/dbraw/zinc/41/44/00/1267414400.db2.gz NGSGTGRUVWQKOC-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151608 1267452114 /nfs/dbraw/zinc/45/21/14/1267452114.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(OCC2CC2)cc[nH+]1 ZINC001171070653 1278336523 /nfs/dbraw/zinc/33/65/23/1278336523.db2.gz HGUMMUHOPVLTDT-INIZCTEOSA-N 2 1 333.432 2.509 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033160612 1267585098 /nfs/dbraw/zinc/58/50/98/1267585098.db2.gz GXMCDKZESUXUIC-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033160612 1267585104 /nfs/dbraw/zinc/58/51/04/1267585104.db2.gz GXMCDKZESUXUIC-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033160612 1267585110 /nfs/dbraw/zinc/58/51/10/1267585110.db2.gz GXMCDKZESUXUIC-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033160612 1267585114 /nfs/dbraw/zinc/58/51/14/1267585114.db2.gz GXMCDKZESUXUIC-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100898 1267666802 /nfs/dbraw/zinc/66/68/02/1267666802.db2.gz IWCXQTJFYIMTSM-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710912 1267755368 /nfs/dbraw/zinc/75/53/68/1267755368.db2.gz YPKKYKDDBYHTBV-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085648712 1268133660 /nfs/dbraw/zinc/13/36/60/1268133660.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085648712 1268133662 /nfs/dbraw/zinc/13/36/62/1268133662.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085648712 1268133668 /nfs/dbraw/zinc/13/36/68/1268133668.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085648712 1268133671 /nfs/dbraw/zinc/13/36/71/1268133671.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085648712 1268133675 /nfs/dbraw/zinc/13/36/75/1268133675.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742460 1268394595 /nfs/dbraw/zinc/39/45/95/1268394595.db2.gz QUJIPWIHZIHFKI-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085779738 1268495645 /nfs/dbraw/zinc/49/56/45/1268495645.db2.gz BVVKEBWQEGYMTK-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085779738 1268495647 /nfs/dbraw/zinc/49/56/47/1268495647.db2.gz BVVKEBWQEGYMTK-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085779738 1268495649 /nfs/dbraw/zinc/49/56/49/1268495649.db2.gz BVVKEBWQEGYMTK-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085779738 1268495656 /nfs/dbraw/zinc/49/56/56/1268495656.db2.gz BVVKEBWQEGYMTK-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297380 1268686811 /nfs/dbraw/zinc/68/68/11/1268686811.db2.gz MLRLWPRRVOSJEL-LJQANCHMSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803805 1268739999 /nfs/dbraw/zinc/73/99/99/1268739999.db2.gz WPBCRXHIVWFNFL-GBESFXJTSA-N 2 1 344.503 2.971 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819210 1268867682 /nfs/dbraw/zinc/86/76/82/1268867682.db2.gz WTQJQDHBSXYVJS-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819210 1268867697 /nfs/dbraw/zinc/86/76/97/1268867697.db2.gz WTQJQDHBSXYVJS-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819210 1268867712 /nfs/dbraw/zinc/86/77/12/1268867712.db2.gz WTQJQDHBSXYVJS-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984608 1269410213 /nfs/dbraw/zinc/41/02/13/1269410213.db2.gz IQUNHMJQPKCBTP-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006283722 1269783938 /nfs/dbraw/zinc/78/39/38/1269783938.db2.gz KYUFFGVJOBGEFG-RDJZCZTQSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685100 1269795052 /nfs/dbraw/zinc/79/50/52/1269795052.db2.gz KQKQYJOUKGZCGU-SFHVURJKSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005391772 1270312509 /nfs/dbraw/zinc/31/25/09/1270312509.db2.gz UPKJFAZRWGSORQ-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957107 1270695040 /nfs/dbraw/zinc/69/50/40/1270695040.db2.gz JBYXBLDLLRZLCK-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957107 1270695047 /nfs/dbraw/zinc/69/50/47/1270695047.db2.gz JBYXBLDLLRZLCK-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050368 1270967514 /nfs/dbraw/zinc/96/75/14/1270967514.db2.gz KNYCNFVDIUDNFX-KRWDZBQOSA-N 2 1 345.487 2.681 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210129 1271363078 /nfs/dbraw/zinc/36/30/78/1271363078.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210129 1271363089 /nfs/dbraw/zinc/36/30/89/1271363089.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210129 1271363095 /nfs/dbraw/zinc/36/30/95/1271363095.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250432 1271425795 /nfs/dbraw/zinc/42/57/95/1271425795.db2.gz QHCVPMRUPHQETK-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238954 1271439657 /nfs/dbraw/zinc/43/96/57/1271439657.db2.gz PRVINDZIQZPTSB-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238954 1271439663 /nfs/dbraw/zinc/43/96/63/1271439663.db2.gz PRVINDZIQZPTSB-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238954 1271439669 /nfs/dbraw/zinc/43/96/69/1271439669.db2.gz PRVINDZIQZPTSB-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238954 1271439671 /nfs/dbraw/zinc/43/96/71/1271439671.db2.gz PRVINDZIQZPTSB-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238955 1271440059 /nfs/dbraw/zinc/44/00/59/1271440059.db2.gz PRVINDZIQZPTSB-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238955 1271440061 /nfs/dbraw/zinc/44/00/61/1271440061.db2.gz PRVINDZIQZPTSB-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238955 1271440065 /nfs/dbraw/zinc/44/00/65/1271440065.db2.gz PRVINDZIQZPTSB-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238955 1271440070 /nfs/dbraw/zinc/44/00/70/1271440070.db2.gz PRVINDZIQZPTSB-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367692 1271755028 /nfs/dbraw/zinc/75/50/28/1271755028.db2.gz HEBKDIZFYAPZLJ-QUCCMNQESA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367692 1271755034 /nfs/dbraw/zinc/75/50/34/1271755034.db2.gz HEBKDIZFYAPZLJ-QUCCMNQESA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367692 1271755049 /nfs/dbraw/zinc/75/50/49/1271755049.db2.gz HEBKDIZFYAPZLJ-QUCCMNQESA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366645 1271787318 /nfs/dbraw/zinc/78/73/18/1271787318.db2.gz BZKVCJGBRKOVEN-QUCCMNQESA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445501 1271974852 /nfs/dbraw/zinc/97/48/52/1271974852.db2.gz URCQXJNSDZFDKZ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536960 1272237103 /nfs/dbraw/zinc/23/71/03/1272237103.db2.gz IXSGSKOMVUAQAL-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544208 1272258735 /nfs/dbraw/zinc/25/87/35/1272258735.db2.gz GRTVZAASOUVPDR-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544173 1272259605 /nfs/dbraw/zinc/25/96/05/1272259605.db2.gz GETWCKIHGRMOEA-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034643114 1272432828 /nfs/dbraw/zinc/43/28/28/1272432828.db2.gz PMUKGJMMVDAYOZ-QBPKDAKJSA-N 2 1 339.911 2.630 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034663997 1272450437 /nfs/dbraw/zinc/45/04/37/1272450437.db2.gz QRMBLDPQVBPGGS-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034663997 1272450446 /nfs/dbraw/zinc/45/04/46/1272450446.db2.gz QRMBLDPQVBPGGS-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659401 1272464982 /nfs/dbraw/zinc/46/49/82/1272464982.db2.gz SFRLHNKXSKOOHD-JYJNAYRXSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662387 1272469705 /nfs/dbraw/zinc/46/97/05/1272469705.db2.gz GYLIWGVSUXWPCZ-ZHALLVOQSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001034674552 1272504890 /nfs/dbraw/zinc/50/48/90/1272504890.db2.gz JNHLPIIUMKVEDN-LUKYLMHMSA-N 2 1 339.911 2.773 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169132999 1272692275 /nfs/dbraw/zinc/69/22/75/1272692275.db2.gz BDMZKVOBGSISLG-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169132999 1272692282 /nfs/dbraw/zinc/69/22/82/1272692282.db2.gz BDMZKVOBGSISLG-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169132999 1272692290 /nfs/dbraw/zinc/69/22/90/1272692290.db2.gz BDMZKVOBGSISLG-DMUMMCEESA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169132998 1272692817 /nfs/dbraw/zinc/69/28/17/1272692817.db2.gz BDMZKVOBGSISLG-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169132998 1272692824 /nfs/dbraw/zinc/69/28/24/1272692824.db2.gz BDMZKVOBGSISLG-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169132998 1272692829 /nfs/dbraw/zinc/69/28/29/1272692829.db2.gz BDMZKVOBGSISLG-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169139418 1272697756 /nfs/dbraw/zinc/69/77/56/1272697756.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169139418 1272697766 /nfs/dbraw/zinc/69/77/66/1272697766.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139418 1272697774 /nfs/dbraw/zinc/69/77/74/1272697774.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139418 1272697787 /nfs/dbraw/zinc/69/77/87/1272697787.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 2 1 334.504 2.685 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001169111940 1272703359 /nfs/dbraw/zinc/70/33/59/1272703359.db2.gz RDTJYZHASKAWEJ-WKCHPHFGSA-N 2 1 338.499 2.737 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CC)CC1)[C@@H]2CC ZINC001169254495 1272775559 /nfs/dbraw/zinc/77/55/59/1272775559.db2.gz YOYAECSCDZNEAI-QUCCMNQESA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CC)CC1)[C@@H]2CC ZINC001169254495 1272775566 /nfs/dbraw/zinc/77/55/66/1272775566.db2.gz YOYAECSCDZNEAI-QUCCMNQESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001034796530 1272989700 /nfs/dbraw/zinc/98/97/00/1272989700.db2.gz IEWZKYKSTDMMLI-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108715093 1273394742 /nfs/dbraw/zinc/39/47/42/1273394742.db2.gz SKLIZJNYZVTDNO-SCTDSRPQSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184383 1273750918 /nfs/dbraw/zinc/75/09/18/1273750918.db2.gz JOFALVCRSOYGGH-UHFFFAOYSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185455 1273755416 /nfs/dbraw/zinc/75/54/16/1273755416.db2.gz WHCGMSHCFNUCOI-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185455 1273755421 /nfs/dbraw/zinc/75/54/21/1273755421.db2.gz WHCGMSHCFNUCOI-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185455 1273755432 /nfs/dbraw/zinc/75/54/32/1273755432.db2.gz WHCGMSHCFNUCOI-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198970 1273767243 /nfs/dbraw/zinc/76/72/43/1273767243.db2.gz XRODCACHBZDAGJ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198970 1273767247 /nfs/dbraw/zinc/76/72/47/1273767247.db2.gz XRODCACHBZDAGJ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198970 1273767254 /nfs/dbraw/zinc/76/72/54/1273767254.db2.gz XRODCACHBZDAGJ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199563 1273768615 /nfs/dbraw/zinc/76/86/15/1273768615.db2.gz LUCBASQNSQLTOH-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199563 1273768623 /nfs/dbraw/zinc/76/86/23/1273768623.db2.gz LUCBASQNSQLTOH-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199563 1273768632 /nfs/dbraw/zinc/76/86/32/1273768632.db2.gz LUCBASQNSQLTOH-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035187737 1273794743 /nfs/dbraw/zinc/79/47/43/1273794743.db2.gz FQWXPPCADSTAIT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187737 1273794750 /nfs/dbraw/zinc/79/47/50/1273794750.db2.gz FQWXPPCADSTAIT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187737 1273794753 /nfs/dbraw/zinc/79/47/53/1273794753.db2.gz FQWXPPCADSTAIT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193866 1273814500 /nfs/dbraw/zinc/81/45/00/1273814500.db2.gz RATAKMUZTQLZEH-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193866 1273814509 /nfs/dbraw/zinc/81/45/09/1273814509.db2.gz RATAKMUZTQLZEH-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193866 1273814523 /nfs/dbraw/zinc/81/45/23/1273814523.db2.gz RATAKMUZTQLZEH-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193465 1273815166 /nfs/dbraw/zinc/81/51/66/1273815166.db2.gz DRRJKDJIPKGCCZ-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193465 1273815180 /nfs/dbraw/zinc/81/51/80/1273815180.db2.gz DRRJKDJIPKGCCZ-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194263 1273818047 /nfs/dbraw/zinc/81/80/47/1273818047.db2.gz YAPUNBTWXUDNAM-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194263 1273818056 /nfs/dbraw/zinc/81/80/56/1273818056.db2.gz YAPUNBTWXUDNAM-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220142 1273828157 /nfs/dbraw/zinc/82/81/57/1273828157.db2.gz LNSFQSNYXJAPHR-UHFFFAOYSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035226398 1273847052 /nfs/dbraw/zinc/84/70/52/1273847052.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035226398 1273847054 /nfs/dbraw/zinc/84/70/54/1273847054.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035226398 1273847056 /nfs/dbraw/zinc/84/70/56/1273847056.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209905 1273860488 /nfs/dbraw/zinc/86/04/88/1273860488.db2.gz DIXKRBTYJPOSRS-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035216990 1273878435 /nfs/dbraw/zinc/87/84/35/1273878435.db2.gz JASHWLAPZYYPFT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216990 1273878447 /nfs/dbraw/zinc/87/84/47/1273878447.db2.gz JASHWLAPZYYPFT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216990 1273878457 /nfs/dbraw/zinc/87/84/57/1273878457.db2.gz JASHWLAPZYYPFT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035234353 1273887857 /nfs/dbraw/zinc/88/78/57/1273887857.db2.gz YULDKUAOKPFCQZ-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236835 1273899451 /nfs/dbraw/zinc/89/94/51/1273899451.db2.gz DXTNZWPPDHEXPY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236835 1273899462 /nfs/dbraw/zinc/89/94/62/1273899462.db2.gz DXTNZWPPDHEXPY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236835 1273899475 /nfs/dbraw/zinc/89/94/75/1273899475.db2.gz DXTNZWPPDHEXPY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035247456 1273924375 /nfs/dbraw/zinc/92/43/75/1273924375.db2.gz WIQBGINYXQCXDX-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247456 1273924379 /nfs/dbraw/zinc/92/43/79/1273924379.db2.gz WIQBGINYXQCXDX-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247456 1273924384 /nfs/dbraw/zinc/92/43/84/1273924384.db2.gz WIQBGINYXQCXDX-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260154 1273955817 /nfs/dbraw/zinc/95/58/17/1273955817.db2.gz PRSNSGUEXWJEMU-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001109222876 1274033694 /nfs/dbraw/zinc/03/36/94/1274033694.db2.gz FUDPQOKWTQTTDO-IKGGRYGDSA-N 2 1 330.476 2.810 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294804 1274099588 /nfs/dbraw/zinc/09/95/88/1274099588.db2.gz TVKURWCXSXZLRY-FYQPLNBISA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C2 ZINC001109307869 1274105862 /nfs/dbraw/zinc/10/58/62/1274105862.db2.gz FMMKGDKNYZNUKD-NCOADZHNSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307869 1274105864 /nfs/dbraw/zinc/10/58/64/1274105864.db2.gz FMMKGDKNYZNUKD-NCOADZHNSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307869 1274105869 /nfs/dbraw/zinc/10/58/69/1274105869.db2.gz FMMKGDKNYZNUKD-NCOADZHNSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109399638 1274240809 /nfs/dbraw/zinc/24/08/09/1274240809.db2.gz QAAGZNLSYOWWGY-YRXWBPOGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399638 1274240819 /nfs/dbraw/zinc/24/08/19/1274240819.db2.gz QAAGZNLSYOWWGY-YRXWBPOGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399638 1274240830 /nfs/dbraw/zinc/24/08/30/1274240830.db2.gz QAAGZNLSYOWWGY-YRXWBPOGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035706435 1274386214 /nfs/dbraw/zinc/38/62/14/1274386214.db2.gz LLZPDGNZTWFUQP-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709575 1274389722 /nfs/dbraw/zinc/38/97/22/1274389722.db2.gz ZDEMQZSGPHCXKQ-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720823 1274407289 /nfs/dbraw/zinc/40/72/89/1274407289.db2.gz NNISZHPNGBHXQW-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720821 1274407875 /nfs/dbraw/zinc/40/78/75/1274407875.db2.gz NNISZHPNGBHXQW-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733034 1274423871 /nfs/dbraw/zinc/42/38/71/1274423871.db2.gz LXYAXTHKDRJDRB-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035740895 1274434487 /nfs/dbraw/zinc/43/44/87/1274434487.db2.gz FGPQJNMRGCVOPX-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035740891 1274434708 /nfs/dbraw/zinc/43/47/08/1274434708.db2.gz FGPQJNMRGCVOPX-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590181 1274453271 /nfs/dbraw/zinc/45/32/71/1274453271.db2.gz VZJNFLCPLITJFA-BDXSIMOUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035773037 1274497949 /nfs/dbraw/zinc/49/79/49/1274497949.db2.gz ONMROUUCBCACFD-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635564 1274505204 /nfs/dbraw/zinc/50/52/04/1274505204.db2.gz IOUZCCBQZMBWQG-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635564 1274505210 /nfs/dbraw/zinc/50/52/10/1274505210.db2.gz IOUZCCBQZMBWQG-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635564 1274505214 /nfs/dbraw/zinc/50/52/14/1274505214.db2.gz IOUZCCBQZMBWQG-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814579 1274549044 /nfs/dbraw/zinc/54/90/44/1274549044.db2.gz PIGORXYKVQULMJ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035815122 1274549211 /nfs/dbraw/zinc/54/92/11/1274549211.db2.gz YPWGGSUZMSCEQT-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837792 1274575223 /nfs/dbraw/zinc/57/52/23/1274575223.db2.gz MXLKIXLAJJEAKP-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798482 1274644782 /nfs/dbraw/zinc/64/47/82/1274644782.db2.gz HWZGKSQUQDNZJV-YSHGAJCASA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109797010 1274652222 /nfs/dbraw/zinc/65/22/22/1274652222.db2.gz PSZRMXKAYRUFIL-RDGPPVDQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109797011 1274652648 /nfs/dbraw/zinc/65/26/48/1274652648.db2.gz PSZRMXKAYRUFIL-YRXWBPOGSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966570 1274916801 /nfs/dbraw/zinc/91/68/01/1274916801.db2.gz WXZQMDLNJAYOFG-JKBKZWBZSA-N 2 1 341.499 2.761 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966570 1274916812 /nfs/dbraw/zinc/91/68/12/1274916812.db2.gz WXZQMDLNJAYOFG-JKBKZWBZSA-N 2 1 341.499 2.761 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567501 1275219149 /nfs/dbraw/zinc/21/91/49/1275219149.db2.gz SDSKTFLZDJAABW-WMZOPIPTSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036209584 1275230055 /nfs/dbraw/zinc/23/00/55/1275230055.db2.gz SUULASQGDGQGNK-ZFWWWQNUSA-N 2 1 338.883 2.586 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112585914 1275309772 /nfs/dbraw/zinc/30/97/72/1275309772.db2.gz YTRITQGVXSQFHW-NSHGMRRFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001005817100 1276328834 /nfs/dbraw/zinc/32/88/34/1276328834.db2.gz KDZSSFSXQUSRER-UHFFFAOYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086819955 1276502168 /nfs/dbraw/zinc/50/21/68/1276502168.db2.gz INRROSIAJIJJNJ-BBWFWOEESA-N 2 1 341.927 2.876 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000818314841 1276506688 /nfs/dbraw/zinc/50/66/88/1276506688.db2.gz XXGANDTZTDDOBK-UHFFFAOYSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846190 1276527609 /nfs/dbraw/zinc/52/76/09/1276527609.db2.gz UQFCUJOJLWFRPZ-BGYRXZFFSA-N 2 1 347.547 2.853 20 30 EFEDMP C[N@@H+](C[C@H](O)CNCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092108 1276602196 /nfs/dbraw/zinc/60/21/96/1276602196.db2.gz RJQQATVWNBJMFP-QGZVFWFLSA-N 2 1 341.480 2.831 20 30 EFEDMP CN(C[C@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092108 1276602204 /nfs/dbraw/zinc/60/22/04/1276602204.db2.gz RJQQATVWNBJMFP-QGZVFWFLSA-N 2 1 341.480 2.831 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859169 1276785530 /nfs/dbraw/zinc/78/55/30/1276785530.db2.gz MAOJQSTXZBIZFY-ZRNYENFQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927397 1287251953 /nfs/dbraw/zinc/25/19/53/1287251953.db2.gz DURLYLKTEOZBSI-WMZOPIPTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006002526 1277394441 /nfs/dbraw/zinc/39/44/41/1277394441.db2.gz YJRWBTVCHNLEBQ-QGZVFWFLSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345713 1277631826 /nfs/dbraw/zinc/63/18/26/1277631826.db2.gz CTJYJFFFELEKHT-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345711 1277632017 /nfs/dbraw/zinc/63/20/17/1277632017.db2.gz CTJYJFFFELEKHT-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345714 1277632402 /nfs/dbraw/zinc/63/24/02/1277632402.db2.gz CTJYJFFFELEKHT-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707362 1281004894 /nfs/dbraw/zinc/00/48/94/1281004894.db2.gz RMSGYGSHFJWQDR-QZTJIDSGSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707362 1281004906 /nfs/dbraw/zinc/00/49/06/1281004906.db2.gz RMSGYGSHFJWQDR-QZTJIDSGSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707345 1281004926 /nfs/dbraw/zinc/00/49/26/1281004926.db2.gz RGRRMCIEMCOGRA-MSOLQXFVSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707345 1281004934 /nfs/dbraw/zinc/00/49/34/1281004934.db2.gz RGRRMCIEMCOGRA-MSOLQXFVSA-N 2 1 331.504 2.958 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171307414 1281191209 /nfs/dbraw/zinc/19/12/09/1281191209.db2.gz IOTJWZZYRXHLOF-MJGOQNOKSA-N 2 1 333.520 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171307414 1281191214 /nfs/dbraw/zinc/19/12/14/1281191214.db2.gz IOTJWZZYRXHLOF-MJGOQNOKSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541794 1281198647 /nfs/dbraw/zinc/19/86/47/1281198647.db2.gz XJFNLWVVCIUQBJ-QZTJIDSGSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541794 1281198653 /nfs/dbraw/zinc/19/86/53/1281198653.db2.gz XJFNLWVVCIUQBJ-QZTJIDSGSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541794 1281198656 /nfs/dbraw/zinc/19/86/56/1281198656.db2.gz XJFNLWVVCIUQBJ-QZTJIDSGSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541693 1281198707 /nfs/dbraw/zinc/19/87/07/1281198707.db2.gz XJFNLWVVCIUQBJ-MSOLQXFVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541693 1281198709 /nfs/dbraw/zinc/19/87/09/1281198709.db2.gz XJFNLWVVCIUQBJ-MSOLQXFVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541693 1281198714 /nfs/dbraw/zinc/19/87/14/1281198714.db2.gz XJFNLWVVCIUQBJ-MSOLQXFVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572702 1281210019 /nfs/dbraw/zinc/21/00/19/1281210019.db2.gz KKAWXRLUPVQADS-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147582947 1281212553 /nfs/dbraw/zinc/21/25/53/1281212553.db2.gz KAEVNVFVCQNQGD-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147582947 1281212561 /nfs/dbraw/zinc/21/25/61/1281212561.db2.gz KAEVNVFVCQNQGD-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780367 1281280624 /nfs/dbraw/zinc/28/06/24/1281280624.db2.gz JLXRPIIQGXASOY-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017449 1281387206 /nfs/dbraw/zinc/38/72/06/1281387206.db2.gz OMOIHFQVQIVQST-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226976 1281463041 /nfs/dbraw/zinc/46/30/41/1281463041.db2.gz ZUBAGBFWYVQGIR-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494802 /nfs/dbraw/zinc/49/48/02/1281494802.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494806 /nfs/dbraw/zinc/49/48/06/1281494806.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494809 /nfs/dbraw/zinc/49/48/09/1281494809.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001148377726 1281538516 /nfs/dbraw/zinc/53/85/16/1281538516.db2.gz BXMIUVYMIMDSBS-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001148377726 1281538523 /nfs/dbraw/zinc/53/85/23/1281538523.db2.gz BXMIUVYMIMDSBS-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148612216 1281653842 /nfs/dbraw/zinc/65/38/42/1281653842.db2.gz XDYSOSKKVYKPEM-MRXNPFEDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148612216 1281653852 /nfs/dbraw/zinc/65/38/52/1281653852.db2.gz XDYSOSKKVYKPEM-MRXNPFEDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590647 1281664163 /nfs/dbraw/zinc/66/41/63/1281664163.db2.gz JXZLUQJCYVFCIE-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091737490 1281684975 /nfs/dbraw/zinc/68/49/75/1281684975.db2.gz GOAJILGVKPILRB-HLIPFELVSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091737490 1281684985 /nfs/dbraw/zinc/68/49/85/1281684985.db2.gz GOAJILGVKPILRB-HLIPFELVSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794300 /nfs/dbraw/zinc/79/43/00/1281794300.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794311 /nfs/dbraw/zinc/79/43/11/1281794311.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794323 /nfs/dbraw/zinc/79/43/23/1281794323.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794331 /nfs/dbraw/zinc/79/43/31/1281794331.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794339 /nfs/dbraw/zinc/79/43/39/1281794339.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899821 1281797246 /nfs/dbraw/zinc/79/72/46/1281797246.db2.gz GDDMYFTYTYZFQL-UHFFFAOYSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899821 1281797259 /nfs/dbraw/zinc/79/72/59/1281797259.db2.gz GDDMYFTYTYZFQL-UHFFFAOYSA-N 2 1 339.911 2.539 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921486 1281932407 /nfs/dbraw/zinc/93/24/07/1281932407.db2.gz QQSUHXNFVDKWCQ-RBUKOAKNSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086924939 1281942941 /nfs/dbraw/zinc/94/29/41/1281942941.db2.gz GXXHZYRSAUGNLG-CEXWTWQISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926961 1281948640 /nfs/dbraw/zinc/94/86/40/1281948640.db2.gz OQRDMDUHMGNSTH-IAGOWNOFSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926962 1281949037 /nfs/dbraw/zinc/94/90/37/1281949037.db2.gz OQRDMDUHMGNSTH-IRXDYDNUSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927303 1281949675 /nfs/dbraw/zinc/94/96/75/1281949675.db2.gz YJWNCFNDJYSBPT-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941170 1281968462 /nfs/dbraw/zinc/96/84/62/1281968462.db2.gz LGNDCZNCPTZSKM-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942159 1281971485 /nfs/dbraw/zinc/97/14/85/1281971485.db2.gz KIIKALBKWJOMSO-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942390 1281971648 /nfs/dbraw/zinc/97/16/48/1281971648.db2.gz PQUBENDNOBEBQI-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942107 1281972002 /nfs/dbraw/zinc/97/20/02/1281972002.db2.gz JBDXLBAVVYKYJG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809891 1282140829 /nfs/dbraw/zinc/14/08/29/1282140829.db2.gz ZEKXPFQKWDECSR-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809891 1282140833 /nfs/dbraw/zinc/14/08/33/1282140833.db2.gz ZEKXPFQKWDECSR-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809891 1282140839 /nfs/dbraw/zinc/14/08/39/1282140839.db2.gz ZEKXPFQKWDECSR-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060827 1282358533 /nfs/dbraw/zinc/35/85/33/1282358533.db2.gz FNYWZKRFHNAZCR-XLIONFOSSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060827 1282358545 /nfs/dbraw/zinc/35/85/45/1282358545.db2.gz FNYWZKRFHNAZCR-XLIONFOSSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608099 1282844304 /nfs/dbraw/zinc/84/43/04/1282844304.db2.gz ILNOOSKWJCIXPK-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608099 1282844309 /nfs/dbraw/zinc/84/43/09/1282844309.db2.gz ILNOOSKWJCIXPK-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608099 1282844317 /nfs/dbraw/zinc/84/43/17/1282844317.db2.gz ILNOOSKWJCIXPK-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132156737 1283060841 /nfs/dbraw/zinc/06/08/41/1283060841.db2.gz IILUEBQAAGBGGA-RDJZCZTQSA-N 2 1 326.444 2.883 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141017 1283066957 /nfs/dbraw/zinc/06/69/57/1283066957.db2.gz NXGPFYKMWIHXHF-ZWKOTPCHSA-N 2 1 344.503 2.843 20 30 EFEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132142184 1283067845 /nfs/dbraw/zinc/06/78/45/1283067845.db2.gz YZCMTBSXYNTRRM-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132142184 1283067853 /nfs/dbraw/zinc/06/78/53/1283067853.db2.gz YZCMTBSXYNTRRM-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132142184 1283067860 /nfs/dbraw/zinc/06/78/60/1283067860.db2.gz YZCMTBSXYNTRRM-IRXDYDNUSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132142185 1283068402 /nfs/dbraw/zinc/06/84/02/1283068402.db2.gz YZCMTBSXYNTRRM-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132142185 1283068412 /nfs/dbraw/zinc/06/84/12/1283068412.db2.gz YZCMTBSXYNTRRM-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132142185 1283068418 /nfs/dbraw/zinc/06/84/18/1283068418.db2.gz YZCMTBSXYNTRRM-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907405 1283084159 /nfs/dbraw/zinc/08/41/59/1283084159.db2.gz LYWHNUSBGYUNOC-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907405 1283084167 /nfs/dbraw/zinc/08/41/67/1283084167.db2.gz LYWHNUSBGYUNOC-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907405 1283084175 /nfs/dbraw/zinc/08/41/75/1283084175.db2.gz LYWHNUSBGYUNOC-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173345 1283086697 /nfs/dbraw/zinc/08/66/97/1283086697.db2.gz LEWVCGYGMSWENB-NVXWUHKLSA-N 2 1 326.444 2.883 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132173648 1283087065 /nfs/dbraw/zinc/08/70/65/1283087065.db2.gz PJAZMWXNFKMSCP-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132173648 1283087072 /nfs/dbraw/zinc/08/70/72/1283087072.db2.gz PJAZMWXNFKMSCP-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056947 1283190993 /nfs/dbraw/zinc/19/09/93/1283190993.db2.gz XCGBDKSKMSYCPR-VQIMIIECSA-N 2 1 329.488 2.622 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093121165 1283263049 /nfs/dbraw/zinc/26/30/49/1283263049.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093121165 1283263055 /nfs/dbraw/zinc/26/30/55/1283263055.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093121165 1283263061 /nfs/dbraw/zinc/26/30/61/1283263061.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310874 1283305650 /nfs/dbraw/zinc/30/56/50/1283305650.db2.gz PESSLRGKMGSINN-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310874 1283305660 /nfs/dbraw/zinc/30/56/60/1283305660.db2.gz PESSLRGKMGSINN-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310874 1283305669 /nfs/dbraw/zinc/30/56/69/1283305669.db2.gz PESSLRGKMGSINN-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310874 1283305682 /nfs/dbraw/zinc/30/56/82/1283305682.db2.gz PESSLRGKMGSINN-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330480 1283340383 /nfs/dbraw/zinc/34/03/83/1283340383.db2.gz HWQCQTQVNRXGDD-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330480 1283340396 /nfs/dbraw/zinc/34/03/96/1283340396.db2.gz HWQCQTQVNRXGDD-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334681 1283349952 /nfs/dbraw/zinc/34/99/52/1283349952.db2.gz CAHRKQSCNAIXFY-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334681 1283349962 /nfs/dbraw/zinc/34/99/62/1283349962.db2.gz CAHRKQSCNAIXFY-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335517 1283353882 /nfs/dbraw/zinc/35/38/82/1283353882.db2.gz PKOHUZAGLDPPSE-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335517 1283353896 /nfs/dbraw/zinc/35/38/96/1283353896.db2.gz PKOHUZAGLDPPSE-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755582 1283428570 /nfs/dbraw/zinc/42/85/70/1283428570.db2.gz ZFIXLOZTEQGNNJ-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755582 1283428575 /nfs/dbraw/zinc/42/85/75/1283428575.db2.gz ZFIXLOZTEQGNNJ-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755582 1283428582 /nfs/dbraw/zinc/42/85/82/1283428582.db2.gz ZFIXLOZTEQGNNJ-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759319 1283462979 /nfs/dbraw/zinc/46/29/79/1283462979.db2.gz JWTCEYQZTDKFFE-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762211 1283477966 /nfs/dbraw/zinc/47/79/66/1283477966.db2.gz HADVVKDZBVOQEH-HKUYNNGSSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762621 1283479102 /nfs/dbraw/zinc/47/91/02/1283479102.db2.gz LVVSZDMIHDWDGI-RDJZCZTQSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222910 1283512118 /nfs/dbraw/zinc/51/21/18/1283512118.db2.gz SDMUWGVUJHALBK-VQIMIIECSA-N 2 1 329.488 2.622 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426217 1283551107 /nfs/dbraw/zinc/55/11/07/1283551107.db2.gz UDODIVCMMDLKOU-HOTGVXAUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426217 1283551114 /nfs/dbraw/zinc/55/11/14/1283551114.db2.gz UDODIVCMMDLKOU-HOTGVXAUSA-N 2 1 330.476 2.697 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176025123 1287660606 /nfs/dbraw/zinc/66/06/06/1287660606.db2.gz YEHFHDDHZLAKBU-LJQANCHMSA-N 2 1 343.515 2.645 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176024168 1287661382 /nfs/dbraw/zinc/66/13/82/1287661382.db2.gz MHYSOHQAQNJQNI-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801283 1283768151 /nfs/dbraw/zinc/76/81/51/1283768151.db2.gz JDZNCVJMGJADFE-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC/C=C/CC)C2)CC1 ZINC001132518645 1283779694 /nfs/dbraw/zinc/77/96/94/1283779694.db2.gz MBUNGTBRALHSIV-YKMDAGRBSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518636 1283779940 /nfs/dbraw/zinc/77/99/40/1283779940.db2.gz LZVJSNCXMUFHNJ-QUCCMNQESA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371196 1283807056 /nfs/dbraw/zinc/80/70/56/1283807056.db2.gz LUUGOMDEGHQJFQ-RBUKOAKNSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093384020 1283859334 /nfs/dbraw/zinc/85/93/34/1283859334.db2.gz SOTJZGYQLBAIEJ-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093384020 1283859338 /nfs/dbraw/zinc/85/93/38/1283859338.db2.gz SOTJZGYQLBAIEJ-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093384020 1283859351 /nfs/dbraw/zinc/85/93/51/1283859351.db2.gz SOTJZGYQLBAIEJ-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541233 1283863051 /nfs/dbraw/zinc/86/30/51/1283863051.db2.gz BTTQLZJAEPLWTD-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541233 1283863060 /nfs/dbraw/zinc/86/30/60/1283863060.db2.gz BTTQLZJAEPLWTD-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541233 1283863070 /nfs/dbraw/zinc/86/30/70/1283863070.db2.gz BTTQLZJAEPLWTD-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541233 1283863078 /nfs/dbraw/zinc/86/30/78/1283863078.db2.gz BTTQLZJAEPLWTD-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541236 1283863540 /nfs/dbraw/zinc/86/35/40/1283863540.db2.gz BTTQLZJAEPLWTD-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541236 1283863547 /nfs/dbraw/zinc/86/35/47/1283863547.db2.gz BTTQLZJAEPLWTD-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541236 1283863550 /nfs/dbraw/zinc/86/35/50/1283863550.db2.gz BTTQLZJAEPLWTD-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541236 1283863555 /nfs/dbraw/zinc/86/35/55/1283863555.db2.gz BTTQLZJAEPLWTD-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672041 /nfs/dbraw/zinc/67/20/41/1287672041.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672045 /nfs/dbraw/zinc/67/20/45/1287672045.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672048 /nfs/dbraw/zinc/67/20/48/1287672048.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672051 /nfs/dbraw/zinc/67/20/51/1287672051.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672054 /nfs/dbraw/zinc/67/20/54/1287672054.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 1 339.527 2.832 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833513 1284142222 /nfs/dbraw/zinc/14/22/22/1284142222.db2.gz UZKNAKSQFACUGN-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833513 1284142226 /nfs/dbraw/zinc/14/22/26/1284142226.db2.gz UZKNAKSQFACUGN-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834309 1284146888 /nfs/dbraw/zinc/14/68/88/1284146888.db2.gz IAUFAEUHUHADQO-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834309 1284146895 /nfs/dbraw/zinc/14/68/95/1284146895.db2.gz IAUFAEUHUHADQO-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842186 1284242249 /nfs/dbraw/zinc/24/22/49/1284242249.db2.gz LJEAMIXLLKDJGH-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176112602 1287713436 /nfs/dbraw/zinc/71/34/36/1287713436.db2.gz WTVFUCOMKCMENC-MOPGFXCFSA-N 2 1 335.536 2.929 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011368 1284654150 /nfs/dbraw/zinc/65/41/50/1284654150.db2.gz IZGVMRHVXFCVGT-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153921 1284789524 /nfs/dbraw/zinc/78/95/24/1284789524.db2.gz SBKDWOWRDUWZOQ-RDGPPVDQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141817 1284862082 /nfs/dbraw/zinc/86/20/82/1284862082.db2.gz HMJDHKLDOXLYGW-DLBZAZTESA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142502 1284863124 /nfs/dbraw/zinc/86/31/24/1284863124.db2.gz NQLYEOWHVWGLBO-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165389 1284922384 /nfs/dbraw/zinc/92/23/84/1284922384.db2.gz GCMXYQVNPWZDQK-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185669 1284951706 /nfs/dbraw/zinc/95/17/06/1284951706.db2.gz HBFQPCBMEPYFDZ-RBUKOAKNSA-N 2 1 335.536 2.596 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094429883 1285072646 /nfs/dbraw/zinc/07/26/46/1285072646.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429883 1285072655 /nfs/dbraw/zinc/07/26/55/1285072655.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429883 1285072665 /nfs/dbraw/zinc/07/26/65/1285072665.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430201 1285073214 /nfs/dbraw/zinc/07/32/14/1285073214.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430201 1285073224 /nfs/dbraw/zinc/07/32/24/1285073224.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430201 1285073233 /nfs/dbraw/zinc/07/32/33/1285073233.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498747 1285161344 /nfs/dbraw/zinc/16/13/44/1285161344.db2.gz TZOYFHLVXZIQII-YLJYHZDGSA-N 2 1 345.487 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498515 1285161715 /nfs/dbraw/zinc/16/17/15/1285161715.db2.gz KTQNGHFQPSOBQP-VQIMIIECSA-N 2 1 331.460 2.502 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257562 /nfs/dbraw/zinc/25/75/62/1285257562.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257574 /nfs/dbraw/zinc/25/75/74/1285257574.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257584 /nfs/dbraw/zinc/25/75/84/1285257584.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001133399394 1285322989 /nfs/dbraw/zinc/32/29/89/1285322989.db2.gz LZVWPERXLURFCW-GOSISDBHSA-N 2 1 349.906 2.929 20 30 EFEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)[N@H+](C)CC ZINC001133399427 1285323094 /nfs/dbraw/zinc/32/30/94/1285323094.db2.gz NDPDOSHHTSCPMP-UHFFFAOYSA-N 2 1 349.906 2.622 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133403960 1285356506 /nfs/dbraw/zinc/35/65/06/1285356506.db2.gz RJUUVWYTGZTAIK-QAPCUYQASA-N 2 1 349.906 2.642 20 30 EFEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CCC ZINC001133410359 1285369470 /nfs/dbraw/zinc/36/94/70/1285369470.db2.gz AXFWOYNNBPNTMM-UHFFFAOYSA-N 2 1 349.906 2.623 20 30 EFEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CCC ZINC001133410531 1285371715 /nfs/dbraw/zinc/37/17/15/1285371715.db2.gz LQZMLPOHRMXYNZ-UHFFFAOYSA-N 2 1 349.906 2.623 20 30 EFEDMP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410456 1285372458 /nfs/dbraw/zinc/37/24/58/1285372458.db2.gz GUQULKIHOYJGAU-KRWDZBQOSA-N 2 1 349.906 2.786 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161477 1285500879 /nfs/dbraw/zinc/50/08/79/1285500879.db2.gz GVTRSEUASRHHPE-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618487 1285681238 /nfs/dbraw/zinc/68/12/38/1285681238.db2.gz KSOTYNQBFOHSBF-KRWDZBQOSA-N 2 1 335.536 2.927 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825257 1285796053 /nfs/dbraw/zinc/79/60/53/1285796053.db2.gz AZGIPGCBQKHHOK-QGZVFWFLSA-N 2 1 346.519 2.993 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918213 1285902575 /nfs/dbraw/zinc/90/25/75/1285902575.db2.gz MSTVLKWPJGLBNG-GOSISDBHSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120863 1286030219 /nfs/dbraw/zinc/03/02/19/1286030219.db2.gz GPTOQUIKQLTZEF-LJDSDSDDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120863 1286030222 /nfs/dbraw/zinc/03/02/22/1286030222.db2.gz GPTOQUIKQLTZEF-LJDSDSDDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120863 1286030225 /nfs/dbraw/zinc/03/02/25/1286030225.db2.gz GPTOQUIKQLTZEF-LJDSDSDDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122647 1286030926 /nfs/dbraw/zinc/03/09/26/1286030926.db2.gz RQMODGUNGALAJI-VUHPKUFZSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122647 1286030932 /nfs/dbraw/zinc/03/09/32/1286030932.db2.gz RQMODGUNGALAJI-VUHPKUFZSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122647 1286030938 /nfs/dbraw/zinc/03/09/38/1286030938.db2.gz RQMODGUNGALAJI-VUHPKUFZSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122647 1286030943 /nfs/dbraw/zinc/03/09/43/1286030943.db2.gz RQMODGUNGALAJI-VUHPKUFZSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122648 1286032199 /nfs/dbraw/zinc/03/21/99/1286032199.db2.gz RQMODGUNGALAJI-ZMMAXQRCSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122648 1286032201 /nfs/dbraw/zinc/03/22/01/1286032201.db2.gz RQMODGUNGALAJI-ZMMAXQRCSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122648 1286032205 /nfs/dbraw/zinc/03/22/05/1286032205.db2.gz RQMODGUNGALAJI-ZMMAXQRCSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122648 1286032207 /nfs/dbraw/zinc/03/22/07/1286032207.db2.gz RQMODGUNGALAJI-ZMMAXQRCSA-N 2 1 344.503 2.537 20 30 EFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172299117 1286111356 /nfs/dbraw/zinc/11/13/56/1286111356.db2.gz JKFUJOVUDXMEGE-MRXNPFEDSA-N 3 1 330.520 2.965 20 30 EFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172297182 1286111565 /nfs/dbraw/zinc/11/15/65/1286111565.db2.gz BVYZBCYAXGLWRX-OXJNMPFZSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172297182 1286111570 /nfs/dbraw/zinc/11/15/70/1286111570.db2.gz BVYZBCYAXGLWRX-OXJNMPFZSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172299115 1286111735 /nfs/dbraw/zinc/11/17/35/1286111735.db2.gz JKFUJOVUDXMEGE-INIZCTEOSA-N 3 1 330.520 2.965 20 30 EFEDMP C[C@@H](CCCC#N)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001172488944 1286168161 /nfs/dbraw/zinc/16/81/61/1286168161.db2.gz OCWBCZKPBDNRHS-WMZOPIPTSA-N 2 1 331.460 2.899 20 30 EFEDMP C[C@@H](CCCC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001172497641 1286171589 /nfs/dbraw/zinc/17/15/89/1286171589.db2.gz DSCAVCBROKEGRZ-KRWDZBQOSA-N 2 1 329.492 2.809 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095009044 1286406697 /nfs/dbraw/zinc/40/66/97/1286406697.db2.gz SSHBDHSJVHTWTQ-BBWFWOEESA-N 2 1 330.476 2.552 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095009045 1286406728 /nfs/dbraw/zinc/40/67/28/1286406728.db2.gz SSHBDHSJVHTWTQ-ULQDDVLXSA-N 2 1 330.476 2.552 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774256 1287171050 /nfs/dbraw/zinc/17/10/50/1287171050.db2.gz WWPJSWQRVWOBFT-HOTGVXAUSA-N 2 1 344.503 2.661 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773997 1287171808 /nfs/dbraw/zinc/17/18/08/1287171808.db2.gz TZOYBOVPDAKKBB-CVEARBPZSA-N 2 1 344.503 2.661 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728392 1312671058 /nfs/dbraw/zinc/67/10/58/1312671058.db2.gz QRMVMVQSQJXSLX-CVEARBPZSA-N 2 1 339.911 2.632 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279664 1287921137 /nfs/dbraw/zinc/92/11/37/1287921137.db2.gz PDYLHDMPQNBSAM-IBGZPJMESA-N 2 1 343.515 2.645 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471876 1288034494 /nfs/dbraw/zinc/03/44/94/1288034494.db2.gz PXECJAIPXHXFOG-CVEARBPZSA-N 2 1 348.491 2.723 20 30 EFEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481203 1288036875 /nfs/dbraw/zinc/03/68/75/1288036875.db2.gz RGOBHBJMVMRYGQ-QZTJIDSGSA-N 2 1 331.504 2.610 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759845 1288122973 /nfs/dbraw/zinc/12/29/73/1288122973.db2.gz MFTLWSYZOHFHPJ-PKOBYXMFSA-N 2 1 329.488 2.577 20 30 EFEDMP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692034 1288278802 /nfs/dbraw/zinc/27/88/02/1288278802.db2.gz CWJYMORUPFAICF-MSOLQXFVSA-N 2 1 341.540 2.552 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785326 1288367800 /nfs/dbraw/zinc/36/78/00/1288367800.db2.gz UTVNVMSSOHVCHR-UONOGXRCSA-N 2 1 347.850 2.506 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177323739 1288389239 /nfs/dbraw/zinc/38/92/39/1288389239.db2.gz FNLBNOQTAMTPPO-VQTJNVASSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344294 1288400970 /nfs/dbraw/zinc/40/09/70/1288400970.db2.gz DBBDRSLPAIUQRB-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344294 1288400973 /nfs/dbraw/zinc/40/09/73/1288400973.db2.gz DBBDRSLPAIUQRB-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177416103 1288424259 /nfs/dbraw/zinc/42/42/59/1288424259.db2.gz UMIFJTDTDUZCTE-UHFFFAOYSA-N 2 1 349.563 2.986 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440574 1288442593 /nfs/dbraw/zinc/44/25/93/1288442593.db2.gz LVXPZTWCAXJYTQ-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484585 1288445645 /nfs/dbraw/zinc/44/56/45/1288445645.db2.gz GPUBFYKKGMTEFT-KDURUIRLSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165736118 1312672333 /nfs/dbraw/zinc/67/23/33/1312672333.db2.gz HRVLZOQUKKYMHE-ZWKOTPCHSA-N 2 1 333.520 2.846 20 30 EFEDMP CCCCCCC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135905637 1288573813 /nfs/dbraw/zinc/57/38/13/1288573813.db2.gz FBLGAMMVCGQXBN-UHFFFAOYSA-N 2 1 329.448 2.557 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178467918 1288794707 /nfs/dbraw/zinc/79/47/07/1288794707.db2.gz LABZNWQZTSUVNY-MRXNPFEDSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483890 1288801442 /nfs/dbraw/zinc/80/14/42/1288801442.db2.gz JNBVFMRXZDYJPG-IAGOWNOFSA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634448 1288846550 /nfs/dbraw/zinc/84/65/50/1288846550.db2.gz VGVQTEOPHGBFIS-MRXNPFEDSA-N 2 1 329.916 2.880 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178722693 1288867903 /nfs/dbraw/zinc/86/79/03/1288867903.db2.gz NRSTWOBXNPPZKW-FQEVSTJZSA-N 2 1 345.531 2.851 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178722693 1288867910 /nfs/dbraw/zinc/86/79/10/1288867910.db2.gz NRSTWOBXNPPZKW-FQEVSTJZSA-N 2 1 345.531 2.851 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C/CC ZINC001178722848 1288868287 /nfs/dbraw/zinc/86/82/87/1288868287.db2.gz QSQXUPDYEMXCOF-UEKDZROGSA-N 2 1 333.520 2.707 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C/CC ZINC001178722848 1288868292 /nfs/dbraw/zinc/86/82/92/1288868292.db2.gz QSQXUPDYEMXCOF-UEKDZROGSA-N 2 1 333.520 2.707 20 30 EFEDMP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179592587 1289193542 /nfs/dbraw/zinc/19/35/42/1289193542.db2.gz IOAATKJYXJCROO-UHFFFAOYSA-N 2 1 331.504 2.613 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585442 1289203226 /nfs/dbraw/zinc/20/32/26/1289203226.db2.gz HYFZJJAARONWOH-GOSISDBHSA-N 2 1 346.519 2.986 20 30 EFEDMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179992237 1289357985 /nfs/dbraw/zinc/35/79/85/1289357985.db2.gz QCVQNAFRVSJFSX-UHFFFAOYSA-N 2 1 343.515 2.646 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671010 1289896031 /nfs/dbraw/zinc/89/60/31/1289896031.db2.gz HFXQFZUDYRXKQN-QWFCFKBJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671011 1289896398 /nfs/dbraw/zinc/89/63/98/1289896398.db2.gz HFXQFZUDYRXKQN-WSTZPKSXSA-N 2 1 335.536 2.901 20 30 EFEDMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695411 1312752757 /nfs/dbraw/zinc/75/27/57/1312752757.db2.gz YTMOQTFLLXQNEL-HXUWFJFHSA-N 2 1 335.455 2.784 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623338 1290225820 /nfs/dbraw/zinc/22/58/20/1290225820.db2.gz IRVFKAYCVSQNJC-YLJYHZDGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183138384 1290302617 /nfs/dbraw/zinc/30/26/17/1290302617.db2.gz SPSBQUSAKHKMTG-SLYNCCJLSA-N 2 1 343.515 2.940 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184682255 1290499448 /nfs/dbraw/zinc/49/94/48/1290499448.db2.gz CEGIUXJFLSBAQC-ZWKOTPCHSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892549 1290539366 /nfs/dbraw/zinc/53/93/66/1290539366.db2.gz QKCDTWHNOIURNE-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892104 1290539464 /nfs/dbraw/zinc/53/94/64/1290539464.db2.gz MYVOJIQUXKQHIP-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171196 1290608740 /nfs/dbraw/zinc/60/87/40/1290608740.db2.gz URRUGMYBWVEPTA-ZBFHGGJFSA-N 2 1 343.943 2.791 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185790315 1290762799 /nfs/dbraw/zinc/76/27/99/1290762799.db2.gz ZIBRFBGLLISJMK-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185790315 1290762805 /nfs/dbraw/zinc/76/28/05/1290762805.db2.gz ZIBRFBGLLISJMK-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687792 1312820322 /nfs/dbraw/zinc/82/03/22/1312820322.db2.gz ZXKQSTPGDWHWSO-YJBOKZPZSA-N 2 1 327.488 2.650 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000876709437 1290986328 /nfs/dbraw/zinc/98/63/28/1290986328.db2.gz RGSKVQFZRWLKIS-KBPBESRZSA-N 2 1 330.259 2.529 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776472 1291019188 /nfs/dbraw/zinc/01/91/88/1291019188.db2.gz NXHCDPDIJLCZQU-ROUUACIJSA-N 2 1 349.906 2.827 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000876951524 1291082666 /nfs/dbraw/zinc/08/26/66/1291082666.db2.gz NZTBHRILJQRFOJ-HNNXBMFYSA-N 2 1 339.443 2.764 20 30 EFEDMP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248848598 1291228290 /nfs/dbraw/zinc/22/82/90/1291228290.db2.gz SNMXZZMOMWOBFM-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944691 1291270095 /nfs/dbraw/zinc/27/00/95/1291270095.db2.gz NZHLNCGIASGVMY-XUVXKRRUSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803805 1312844196 /nfs/dbraw/zinc/84/41/96/1312844196.db2.gz XKWBFAFEYHTKJG-SFHVURJKSA-N 2 1 333.520 2.846 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001188714543 1291449740 /nfs/dbraw/zinc/44/97/40/1291449740.db2.gz COGALOQDRCSXCU-ZWKOTPCHSA-N 2 1 330.476 2.552 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188895046 1291512264 /nfs/dbraw/zinc/51/22/64/1291512264.db2.gz FJWPAYJKFXJDBS-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895046 1291512271 /nfs/dbraw/zinc/51/22/71/1291512271.db2.gz FJWPAYJKFXJDBS-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895046 1291512277 /nfs/dbraw/zinc/51/22/77/1291512277.db2.gz FJWPAYJKFXJDBS-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317233 1291670298 /nfs/dbraw/zinc/67/02/98/1291670298.db2.gz KWTGPLMFECKOPS-NZSAHSFTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433638 1291724543 /nfs/dbraw/zinc/72/45/43/1291724543.db2.gz UHHCCAMEPNVKNI-YTQUADARSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433638 1291724548 /nfs/dbraw/zinc/72/45/48/1291724548.db2.gz UHHCCAMEPNVKNI-YTQUADARSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552023 1291751366 /nfs/dbraw/zinc/75/13/66/1291751366.db2.gz DMAYDJJJCPDQDJ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552329 1291751671 /nfs/dbraw/zinc/75/16/71/1291751671.db2.gz JWTSKNFKYZNWNU-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561174 1291768151 /nfs/dbraw/zinc/76/81/51/1291768151.db2.gz IEQVHNDYWHQHIO-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568288 1291779975 /nfs/dbraw/zinc/77/99/75/1291779975.db2.gz GUHYSQOGLFBONE-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605500 1291859496 /nfs/dbraw/zinc/85/94/96/1291859496.db2.gz GEOCWATUIKCWLN-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788101 1291860843 /nfs/dbraw/zinc/86/08/43/1291860843.db2.gz SVNJKQVOIMXOFW-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788101 1291860847 /nfs/dbraw/zinc/86/08/47/1291860847.db2.gz SVNJKQVOIMXOFW-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788101 1291860857 /nfs/dbraw/zinc/86/08/57/1291860857.db2.gz SVNJKQVOIMXOFW-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623777 1312887431 /nfs/dbraw/zinc/88/74/31/1312887431.db2.gz GJEVNVXWJXYUTD-IEBWSBKVSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957620908 1291900746 /nfs/dbraw/zinc/90/07/46/1291900746.db2.gz ONJSSONJZCKBET-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247841 1292079597 /nfs/dbraw/zinc/07/95/97/1292079597.db2.gz UAKURXJHLCLPSX-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247841 1292079608 /nfs/dbraw/zinc/07/96/08/1292079608.db2.gz UAKURXJHLCLPSX-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016662538 1312911119 /nfs/dbraw/zinc/91/11/19/1312911119.db2.gz KMLYJELARBCSGC-QZTJIDSGSA-N 2 1 331.504 2.550 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016662539 1312911135 /nfs/dbraw/zinc/91/11/35/1312911135.db2.gz KMLYJELARBCSGC-ROUUACIJSA-N 2 1 331.504 2.550 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663381 1312911808 /nfs/dbraw/zinc/91/18/08/1312911808.db2.gz QGCRKQKQIWVPOH-RTBURBONSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016663527 1312912287 /nfs/dbraw/zinc/91/22/87/1312912287.db2.gz SRHBAODHKBMWBF-IRXDYDNUSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016663529 1312912439 /nfs/dbraw/zinc/91/24/39/1312912439.db2.gz SRHBAODHKBMWBF-SJORKVTESA-N 2 1 342.487 2.697 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485478 1312913630 /nfs/dbraw/zinc/91/36/30/1312913630.db2.gz NWBREYYRAWYALD-GVDBMIGSSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485478 1312913633 /nfs/dbraw/zinc/91/36/33/1312913633.db2.gz NWBREYYRAWYALD-GVDBMIGSSA-N 2 1 330.476 2.648 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190721307 1292291086 /nfs/dbraw/zinc/29/10/86/1292291086.db2.gz APXGSOHFMRCMPA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190721307 1292291091 /nfs/dbraw/zinc/29/10/91/1292291091.db2.gz APXGSOHFMRCMPA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190721307 1292291102 /nfs/dbraw/zinc/29/11/02/1292291102.db2.gz APXGSOHFMRCMPA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190721307 1292291107 /nfs/dbraw/zinc/29/11/07/1292291107.db2.gz APXGSOHFMRCMPA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233386926 1312920381 /nfs/dbraw/zinc/92/03/81/1312920381.db2.gz NSNTVBMNFWHOCO-UHFFFAOYSA-N 2 1 344.503 2.503 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544077 1292562974 /nfs/dbraw/zinc/56/29/74/1292562974.db2.gz YCCFNWPTPKXXHH-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514427 1312950562 /nfs/dbraw/zinc/95/05/62/1312950562.db2.gz DXLUGSDWEBHMNT-VAMGGRTRSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514427 1312950566 /nfs/dbraw/zinc/95/05/66/1312950566.db2.gz DXLUGSDWEBHMNT-VAMGGRTRSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514427 1312950572 /nfs/dbraw/zinc/95/05/72/1312950572.db2.gz DXLUGSDWEBHMNT-VAMGGRTRSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049519698 1312958936 /nfs/dbraw/zinc/95/89/36/1312958936.db2.gz AQIVFLGILBCQOJ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519698 1312958937 /nfs/dbraw/zinc/95/89/37/1312958937.db2.gz AQIVFLGILBCQOJ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519698 1312958940 /nfs/dbraw/zinc/95/89/40/1312958940.db2.gz AQIVFLGILBCQOJ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523843 1312964262 /nfs/dbraw/zinc/96/42/62/1312964262.db2.gz IAFUVKCXXAJSCR-KURKYZTESA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523843 1312964265 /nfs/dbraw/zinc/96/42/65/1312964265.db2.gz IAFUVKCXXAJSCR-KURKYZTESA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641875 1292971467 /nfs/dbraw/zinc/97/14/67/1292971467.db2.gz OKHPYEVJZDWMFU-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641875 1292971481 /nfs/dbraw/zinc/97/14/81/1292971481.db2.gz OKHPYEVJZDWMFU-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924314 1293111202 /nfs/dbraw/zinc/11/12/02/1293111202.db2.gz YNRHGALXTAVYLT-HZPDHXFCSA-N 2 1 329.916 2.638 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924314 1293111207 /nfs/dbraw/zinc/11/12/07/1293111207.db2.gz YNRHGALXTAVYLT-HZPDHXFCSA-N 2 1 329.916 2.638 20 30 EFEDMP C#C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000775571472 1293178789 /nfs/dbraw/zinc/17/87/89/1293178789.db2.gz HOMUIDGFFAMDBV-UXHICEINSA-N 2 1 330.447 2.603 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544609 1312991623 /nfs/dbraw/zinc/99/16/23/1312991623.db2.gz DRJVDHYRPDQVGA-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544888 1312992030 /nfs/dbraw/zinc/99/20/30/1312992030.db2.gz HGIPGWLWPFJRNA-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546222 1312993862 /nfs/dbraw/zinc/99/38/62/1312993862.db2.gz PNNXJGZRKIYTNV-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1cc(Br)cnc1Cl ZINC000883131231 1293473715 /nfs/dbraw/zinc/47/37/15/1293473715.db2.gz QJWDJTKDAUKCHB-UHFFFAOYSA-N 2 1 330.657 2.542 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000883131231 1293473718 /nfs/dbraw/zinc/47/37/18/1293473718.db2.gz QJWDJTKDAUKCHB-UHFFFAOYSA-N 2 1 330.657 2.542 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000883131284 1293473742 /nfs/dbraw/zinc/47/37/42/1293473742.db2.gz UKUGEEBFNVMTLQ-UHFFFAOYSA-N 2 1 338.477 2.535 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000883131284 1293473744 /nfs/dbraw/zinc/47/37/44/1293473744.db2.gz UKUGEEBFNVMTLQ-UHFFFAOYSA-N 2 1 338.477 2.535 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1cc(Br)c(OC)s1 ZINC000883131136 1293474015 /nfs/dbraw/zinc/47/40/15/1293474015.db2.gz IZNMMUPLHPUHJR-UHFFFAOYSA-N 2 1 331.279 2.564 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1cc(Br)c(OC)s1 ZINC000883131136 1293474021 /nfs/dbraw/zinc/47/40/21/1293474021.db2.gz IZNMMUPLHPUHJR-UHFFFAOYSA-N 2 1 331.279 2.564 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCCCC)C2)CC1 ZINC001194245432 1293568753 /nfs/dbraw/zinc/56/87/53/1293568753.db2.gz AIGLZGFXXZSEHY-FQEVSTJZSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001194246447 1293569610 /nfs/dbraw/zinc/56/96/10/1293569610.db2.gz LZTAXLVSXYIKCO-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563108 1313018754 /nfs/dbraw/zinc/01/87/54/1313018754.db2.gz CDVCYZVNUOAGCE-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563108 1313018758 /nfs/dbraw/zinc/01/87/58/1313018758.db2.gz CDVCYZVNUOAGCE-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563108 1313018763 /nfs/dbraw/zinc/01/87/63/1313018763.db2.gz CDVCYZVNUOAGCE-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562108 1313020747 /nfs/dbraw/zinc/02/07/47/1313020747.db2.gz UFFQBDOFBUOPJD-OALUTQOASA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571775 1313034317 /nfs/dbraw/zinc/03/43/17/1313034317.db2.gz GXTBSOCALDYMHB-RTBURBONSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707873 1294059713 /nfs/dbraw/zinc/05/97/13/1294059713.db2.gz KJXQGEFCBJWIMD-INIZCTEOSA-N 2 1 332.492 2.942 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195875604 1294068504 /nfs/dbraw/zinc/06/85/04/1294068504.db2.gz IESIXTCYFLUBHW-IBGZPJMESA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196026114 1294110455 /nfs/dbraw/zinc/11/04/55/1294110455.db2.gz ZKTXPBOWCSXNRZ-DLBZAZTESA-N 2 1 327.488 2.555 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155644 1294152651 /nfs/dbraw/zinc/15/26/51/1294152651.db2.gz PYJBKSKCZGNMQO-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155644 1294152653 /nfs/dbraw/zinc/15/26/53/1294152653.db2.gz PYJBKSKCZGNMQO-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155644 1294152655 /nfs/dbraw/zinc/15/26/55/1294152655.db2.gz PYJBKSKCZGNMQO-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001196310340 1294186024 /nfs/dbraw/zinc/18/60/24/1294186024.db2.gz QCAOAIPQTDFYMW-SFHVURJKSA-N 2 1 346.519 2.950 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001203969647 1313057492 /nfs/dbraw/zinc/05/74/92/1313057492.db2.gz HHIRJTBCMHVFKT-UHFFFAOYSA-N 2 1 343.515 2.877 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275676 1294189666 /nfs/dbraw/zinc/18/96/66/1294189666.db2.gz LEKSQIJBFAEXPK-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275677 1294189678 /nfs/dbraw/zinc/18/96/78/1294189678.db2.gz LEKSQIJBFAEXPK-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001196339759 1294203367 /nfs/dbraw/zinc/20/33/67/1294203367.db2.gz CWGZJVHNZJSPFR-SFHVURJKSA-N 2 1 346.519 2.950 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388149 1294220749 /nfs/dbraw/zinc/22/07/49/1294220749.db2.gz DSWSNFXGRQBYFF-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388149 1294220755 /nfs/dbraw/zinc/22/07/55/1294220755.db2.gz DSWSNFXGRQBYFF-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388149 1294220762 /nfs/dbraw/zinc/22/07/62/1294220762.db2.gz DSWSNFXGRQBYFF-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001196507809 1294263481 /nfs/dbraw/zinc/26/34/81/1294263481.db2.gz QOEOHAIDZPKCSU-MRXNPFEDSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985950 1313072643 /nfs/dbraw/zinc/07/26/43/1313072643.db2.gz NFEDLFOIRMYEJF-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP CCCC[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C)cc1 ZINC000303557744 1294539729 /nfs/dbraw/zinc/53/97/29/1294539729.db2.gz LQMACCUVUXTBDV-UHFFFAOYSA-N 2 1 346.519 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610671 1313085260 /nfs/dbraw/zinc/08/52/60/1313085260.db2.gz AUKDXGFDLTZXQQ-PMACEKPBSA-N 2 1 341.499 2.656 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774835 1294578805 /nfs/dbraw/zinc/57/88/05/1294578805.db2.gz GEYINKOFWJWNEP-HNNXBMFYSA-N 2 1 338.496 2.697 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610674 1313085683 /nfs/dbraw/zinc/08/56/83/1313085683.db2.gz AUKDXGFDLTZXQQ-VQTJNVASSA-N 2 1 341.499 2.656 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000303782466 1294580391 /nfs/dbraw/zinc/58/03/91/1294580391.db2.gz NGZPEXVSPUXGTD-APWZRJJASA-N 2 1 344.503 2.879 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCCC2)cc1 ZINC000303789323 1294581414 /nfs/dbraw/zinc/58/14/14/1294581414.db2.gz VFYVLEMIIXSEGX-LJQANCHMSA-N 2 1 344.503 2.927 20 30 EFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCCCC1)c1cccc(OC)c1 ZINC000303787231 1294581751 /nfs/dbraw/zinc/58/17/51/1294581751.db2.gz SHWNHRZEZKFKQI-GOSISDBHSA-N 2 1 332.492 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879696 1294594991 /nfs/dbraw/zinc/59/49/91/1294594991.db2.gz GTCDGAXCUAFSAM-QGZVFWFLSA-N 2 1 332.492 2.543 20 30 EFEDMP C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000303899883 1294600693 /nfs/dbraw/zinc/60/06/93/1294600693.db2.gz RVCUEODVGONSSP-INIZCTEOSA-N 2 1 328.504 2.870 20 30 EFEDMP C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000303899883 1294600702 /nfs/dbraw/zinc/60/07/02/1294600702.db2.gz RVCUEODVGONSSP-INIZCTEOSA-N 2 1 328.504 2.870 20 30 EFEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303898995 1294601015 /nfs/dbraw/zinc/60/10/15/1294601015.db2.gz VWEMUPHQXFBFFO-IEBWSBKVSA-N 2 1 328.504 2.598 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000303904164 1294601040 /nfs/dbraw/zinc/60/10/40/1294601040.db2.gz UTZPIAZLEYSOSH-INIZCTEOSA-N 2 1 332.492 2.925 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1F ZINC000303900138 1294601191 /nfs/dbraw/zinc/60/11/91/1294601191.db2.gz WOQARCNACRYBOI-ZDUSSCGKSA-N 2 1 329.423 2.866 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCC1 ZINC000303970406 1294612312 /nfs/dbraw/zinc/61/23/12/1294612312.db2.gz CONIPEOESKTNHG-KRWDZBQOSA-N 2 1 332.467 2.636 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615561 1313089611 /nfs/dbraw/zinc/08/96/11/1313089611.db2.gz LKZSVLCILFZCQK-AQNXPRMDSA-N 2 1 345.531 2.892 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001276359838 1294630336 /nfs/dbraw/zinc/63/03/36/1294630336.db2.gz LNVTYOLALPQLKC-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001276359838 1294630344 /nfs/dbraw/zinc/63/03/44/1294630344.db2.gz LNVTYOLALPQLKC-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001276359838 1294630351 /nfs/dbraw/zinc/63/03/51/1294630351.db2.gz LNVTYOLALPQLKC-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204266247 1313111334 /nfs/dbraw/zinc/11/13/34/1313111334.db2.gz VTIKBRWNRGGTIE-GOSISDBHSA-N 2 1 346.496 2.791 20 30 EFEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204266247 1313111336 /nfs/dbraw/zinc/11/13/36/1313111336.db2.gz VTIKBRWNRGGTIE-GOSISDBHSA-N 2 1 346.496 2.791 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198363987 1295005345 /nfs/dbraw/zinc/00/53/45/1295005345.db2.gz HUAFVGZTCPETTI-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198363987 1295005351 /nfs/dbraw/zinc/00/53/51/1295005351.db2.gz HUAFVGZTCPETTI-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363987 1295005359 /nfs/dbraw/zinc/00/53/59/1295005359.db2.gz HUAFVGZTCPETTI-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363987 1295005363 /nfs/dbraw/zinc/00/53/63/1295005363.db2.gz HUAFVGZTCPETTI-UHFFFAOYSA-N 2 1 329.488 2.619 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001234402486 1313120302 /nfs/dbraw/zinc/12/03/02/1313120302.db2.gz LPLTYPSPONTSQE-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402486 1313120303 /nfs/dbraw/zinc/12/03/03/1313120303.db2.gz LPLTYPSPONTSQE-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402486 1313120306 /nfs/dbraw/zinc/12/03/06/1313120306.db2.gz LPLTYPSPONTSQE-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234402484 1313120759 /nfs/dbraw/zinc/12/07/59/1313120759.db2.gz LPLTYPSPONTSQE-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402484 1313120763 /nfs/dbraw/zinc/12/07/63/1313120763.db2.gz LPLTYPSPONTSQE-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402484 1313120766 /nfs/dbraw/zinc/12/07/66/1313120766.db2.gz LPLTYPSPONTSQE-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616560 1295149393 /nfs/dbraw/zinc/14/93/93/1295149393.db2.gz IUBNJOARYQDPHH-MSOLQXFVSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198759774 1295238077 /nfs/dbraw/zinc/23/80/77/1295238077.db2.gz MCQMVURSHRSEAB-WMZOPIPTSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774739 1295245326 /nfs/dbraw/zinc/24/53/26/1295245326.db2.gz ADUOVIBGQDSLPB-QGZVFWFLSA-N 2 1 347.503 2.749 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276360407 1295275694 /nfs/dbraw/zinc/27/56/94/1295275694.db2.gz TURMKVLQTGKWLR-HXUWFJFHSA-N 2 1 326.488 2.954 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276360407 1295275699 /nfs/dbraw/zinc/27/56/99/1295275699.db2.gz TURMKVLQTGKWLR-HXUWFJFHSA-N 2 1 326.488 2.954 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001276360407 1295275704 /nfs/dbraw/zinc/27/57/04/1295275704.db2.gz TURMKVLQTGKWLR-HXUWFJFHSA-N 2 1 326.488 2.954 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049669862 1313161928 /nfs/dbraw/zinc/16/19/28/1313161928.db2.gz BHBZRWMVHPLTAP-CADBVGFASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669862 1313161932 /nfs/dbraw/zinc/16/19/32/1313161932.db2.gz BHBZRWMVHPLTAP-CADBVGFASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669862 1313161936 /nfs/dbraw/zinc/16/19/36/1313161936.db2.gz BHBZRWMVHPLTAP-CADBVGFASA-N 2 1 333.520 2.748 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750818 1295748128 /nfs/dbraw/zinc/74/81/28/1295748128.db2.gz ISKMERGLTOPGQF-DOTOQJQBSA-N 2 1 332.492 2.577 20 30 EFEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304742696 1295748223 /nfs/dbraw/zinc/74/82/23/1295748223.db2.gz CUXNLDAPKPDHGZ-UHFFFAOYSA-N 2 1 343.431 2.560 20 30 EFEDMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1C ZINC000304757006 1295750584 /nfs/dbraw/zinc/75/05/84/1295750584.db2.gz OIYOUFHNOMBZFV-IRXDYDNUSA-N 2 1 332.492 2.541 20 30 EFEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCCCC2 ZINC000304805970 1295760893 /nfs/dbraw/zinc/76/08/93/1295760893.db2.gz RSTXQOBAWYGTNO-YESZJQIVSA-N 2 1 336.524 2.503 20 30 EFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000305037210 1295838842 /nfs/dbraw/zinc/83/88/42/1295838842.db2.gz BPSRGGRJOHDMMB-LJQANCHMSA-N 2 1 328.504 2.742 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843066 1313202072 /nfs/dbraw/zinc/20/20/72/1313202072.db2.gz JZMNHVORHAQTTC-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843066 1313202074 /nfs/dbraw/zinc/20/20/74/1313202074.db2.gz JZMNHVORHAQTTC-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234977987 1313215932 /nfs/dbraw/zinc/21/59/32/1313215932.db2.gz FCFIHNLUZAHWEF-KDURUIRLSA-N 2 1 332.451 2.977 20 30 EFEDMP CCCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275132067 1296235058 /nfs/dbraw/zinc/23/50/58/1296235058.db2.gz NKIKFSIBAUONKM-QZTJIDSGSA-N 2 1 335.536 2.879 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001275132341 1296236116 /nfs/dbraw/zinc/23/61/16/1296236116.db2.gz QVSDPIMTVJOXGM-UHFFFAOYSA-N 2 1 325.500 2.517 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275132341 1296236131 /nfs/dbraw/zinc/23/61/31/1296236131.db2.gz QVSDPIMTVJOXGM-UHFFFAOYSA-N 2 1 325.500 2.517 20 30 EFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001275588326 1296316626 /nfs/dbraw/zinc/31/66/26/1296316626.db2.gz AGZGCVUIFGXFRC-IBGZPJMESA-N 2 1 346.544 2.859 20 30 EFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001275969020 1296464049 /nfs/dbraw/zinc/46/40/49/1296464049.db2.gz WYYCKFMHDJGNBJ-OAQYLSRUSA-N 2 1 340.515 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754425 1313260114 /nfs/dbraw/zinc/26/01/14/1313260114.db2.gz NLHRPISVMHPEAO-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754425 1313260118 /nfs/dbraw/zinc/26/01/18/1313260118.db2.gz NLHRPISVMHPEAO-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030194 1296494094 /nfs/dbraw/zinc/49/40/94/1296494094.db2.gz BZDQZROGVIMRFM-KANFNMMFSA-N 2 1 326.488 2.697 20 30 EFEDMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030194 1296494099 /nfs/dbraw/zinc/49/40/99/1296494099.db2.gz BZDQZROGVIMRFM-KANFNMMFSA-N 2 1 326.488 2.697 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043464 1296558432 /nfs/dbraw/zinc/55/84/32/1296558432.db2.gz DSDRLGIBFRGKOE-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052588 1296565932 /nfs/dbraw/zinc/56/59/32/1296565932.db2.gz GPSYZOHDHRFQTO-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053847 1296568373 /nfs/dbraw/zinc/56/83/73/1296568373.db2.gz ZFDZLEKOKYKVNX-DOTOQJQBSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768531 1313279638 /nfs/dbraw/zinc/27/96/38/1313279638.db2.gz WWRHATAKSYJNKB-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768531 1313279642 /nfs/dbraw/zinc/27/96/42/1313279642.db2.gz WWRHATAKSYJNKB-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235279150 1313281023 /nfs/dbraw/zinc/28/10/23/1313281023.db2.gz YRDBBGXAGKQXET-HOTGVXAUSA-N 2 1 348.409 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235279150 1313281026 /nfs/dbraw/zinc/28/10/26/1313281026.db2.gz YRDBBGXAGKQXET-HOTGVXAUSA-N 2 1 348.409 2.750 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000960263353 1296668757 /nfs/dbraw/zinc/66/87/57/1296668757.db2.gz VHPLEXKZFUGKRG-HSALFYBXSA-N 2 1 341.499 2.807 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001205479816 1313297597 /nfs/dbraw/zinc/29/75/97/1313297597.db2.gz YSDDARKSNBWZDV-ICSRJNTNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001205479816 1313297599 /nfs/dbraw/zinc/29/75/99/1313297599.db2.gz YSDDARKSNBWZDV-ICSRJNTNSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789042 1313302783 /nfs/dbraw/zinc/30/27/83/1313302783.db2.gz UYNDZQKGWYTGRZ-RTBURBONSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518787 1313303908 /nfs/dbraw/zinc/30/39/08/1313303908.db2.gz KQLOIKQVDRHFRY-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CCCC#N)CC3)C2)cc1C#N ZINC001277943205 1313316043 /nfs/dbraw/zinc/31/60/43/1313316043.db2.gz PFCSBKXRUUIPKP-UHFFFAOYSA-N 2 1 339.487 2.879 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429087 1313318876 /nfs/dbraw/zinc/31/88/76/1313318876.db2.gz WVWRSAHKUBBXLB-RTBURBONSA-N 2 1 342.483 2.919 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCCC ZINC001235473286 1313332305 /nfs/dbraw/zinc/33/23/05/1313332305.db2.gz UZKOZAGQTJHFKS-MOPGFXCFSA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCCC ZINC001235473286 1313332308 /nfs/dbraw/zinc/33/23/08/1313332308.db2.gz UZKOZAGQTJHFKS-MOPGFXCFSA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCCC ZINC001235473286 1313332318 /nfs/dbraw/zinc/33/23/18/1313332318.db2.gz UZKOZAGQTJHFKS-MOPGFXCFSA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCCC ZINC001235473286 1313332320 /nfs/dbraw/zinc/33/23/20/1313332320.db2.gz UZKOZAGQTJHFKS-MOPGFXCFSA-N 2 1 333.520 2.587 20 30 EFEDMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001205681380 1313336768 /nfs/dbraw/zinc/33/67/68/1313336768.db2.gz IRZHLTJMEWUBPX-FQEVSTJZSA-N 2 1 340.492 2.824 20 30 EFEDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001205681380 1313336771 /nfs/dbraw/zinc/33/67/71/1313336771.db2.gz IRZHLTJMEWUBPX-FQEVSTJZSA-N 2 1 340.492 2.824 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818797 1313339335 /nfs/dbraw/zinc/33/93/35/1313339335.db2.gz AMKGNGUTHGDESF-MOPGFXCFSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205707116 1313342112 /nfs/dbraw/zinc/34/21/12/1313342112.db2.gz OTAXBAHEXGUVQL-UHFFFAOYSA-N 2 1 344.503 2.556 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820904 1313342206 /nfs/dbraw/zinc/34/22/06/1313342206.db2.gz PKJIAOHPGHAKPJ-RTBURBONSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201817701 1297096496 /nfs/dbraw/zinc/09/64/96/1297096496.db2.gz CVXWEFIZYHVSAX-UHFFFAOYSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006970 1313390455 /nfs/dbraw/zinc/39/04/55/1313390455.db2.gz UQIDBEOVBPZXDD-KRWDZBQOSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001235835608 1313406312 /nfs/dbraw/zinc/40/63/12/1313406312.db2.gz ZDYQFRKJPBCYOX-OAQYLSRUSA-N 2 1 346.478 2.614 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555474 1313411760 /nfs/dbraw/zinc/41/17/60/1313411760.db2.gz OHRQPJZZWYODLA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555474 1313411761 /nfs/dbraw/zinc/41/17/61/1313411761.db2.gz OHRQPJZZWYODLA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555474 1313411764 /nfs/dbraw/zinc/41/17/64/1313411764.db2.gz OHRQPJZZWYODLA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555474 1313411765 /nfs/dbraw/zinc/41/17/65/1313411765.db2.gz OHRQPJZZWYODLA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267857 1297772817 /nfs/dbraw/zinc/77/28/17/1297772817.db2.gz LLJGCFBPQCVTFC-BNDYYXHWSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267857 1297772829 /nfs/dbraw/zinc/77/28/29/1297772829.db2.gz LLJGCFBPQCVTFC-BNDYYXHWSA-N 2 1 341.499 2.761 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282194 1313431521 /nfs/dbraw/zinc/43/15/21/1313431521.db2.gz RRUXWXWZDVWDDO-IEBWSBKVSA-N 2 1 337.552 2.983 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206446238 1313455396 /nfs/dbraw/zinc/45/53/96/1313455396.db2.gz ZLVSOAHCORLGIN-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320691 1313469212 /nfs/dbraw/zinc/46/92/12/1313469212.db2.gz UJFLIWLEBXCMNJ-OKILXGFUSA-N 2 1 334.261 2.752 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909799 1313470508 /nfs/dbraw/zinc/47/05/08/1313470508.db2.gz CMENJUHCNJJKRN-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCN(CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C(=O)OCC ZINC001236371318 1313473989 /nfs/dbraw/zinc/47/39/89/1313473989.db2.gz LDWBYGODTYYMBS-KRWDZBQOSA-N 2 1 337.508 2.875 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914089 1313477318 /nfs/dbraw/zinc/47/73/18/1313477318.db2.gz MGHCVGOXRRVIBJ-VAMGGRTRSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914089 1313477320 /nfs/dbraw/zinc/47/73/20/1313477320.db2.gz MGHCVGOXRRVIBJ-VAMGGRTRSA-N 2 1 341.499 2.931 20 30 EFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236416545 1313478197 /nfs/dbraw/zinc/47/81/97/1313478197.db2.gz VPEONFYUWGAWSZ-AERCQKQUSA-N 2 1 332.451 2.976 20 30 EFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236416545 1313478201 /nfs/dbraw/zinc/47/82/01/1313478201.db2.gz VPEONFYUWGAWSZ-AERCQKQUSA-N 2 1 332.451 2.976 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914623 1313478313 /nfs/dbraw/zinc/47/83/13/1313478313.db2.gz QYDNJYIXBOJZSV-XUVXKRRUSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914623 1313478315 /nfs/dbraw/zinc/47/83/15/1313478315.db2.gz QYDNJYIXBOJZSV-XUVXKRRUSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156621 1298222085 /nfs/dbraw/zinc/22/20/85/1298222085.db2.gz LGTQAWKEXPQKAG-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181350 1298259321 /nfs/dbraw/zinc/25/93/21/1298259321.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181350 1298259328 /nfs/dbraw/zinc/25/93/28/1298259328.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181350 1298259335 /nfs/dbraw/zinc/25/93/35/1298259335.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202046 1298313993 /nfs/dbraw/zinc/31/39/93/1298313993.db2.gz SWVDIBQSSXJRQZ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202046 1298314005 /nfs/dbraw/zinc/31/40/05/1298314005.db2.gz SWVDIBQSSXJRQZ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236582557 1313493842 /nfs/dbraw/zinc/49/38/42/1313493842.db2.gz RASOONAPCLHOAR-ZTFGCOKTSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236582557 1313493844 /nfs/dbraw/zinc/49/38/44/1313493844.db2.gz RASOONAPCLHOAR-ZTFGCOKTSA-N 2 1 349.425 2.892 20 30 EFEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206723418 1313498434 /nfs/dbraw/zinc/49/84/34/1313498434.db2.gz ZXVQTUQPJIDCRY-OWZKRDHZSA-N 2 1 325.456 2.785 20 30 EFEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206723418 1313498436 /nfs/dbraw/zinc/49/84/36/1313498436.db2.gz ZXVQTUQPJIDCRY-OWZKRDHZSA-N 2 1 325.456 2.785 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231300 1298376030 /nfs/dbraw/zinc/37/60/30/1298376030.db2.gz QHJWHVKANYZLPV-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276834 1298474669 /nfs/dbraw/zinc/47/46/69/1298474669.db2.gz WPOAAIQHSMJXLN-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285236 1298491100 /nfs/dbraw/zinc/49/11/00/1298491100.db2.gz PCZFFNNQROXUJQ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285236 1298491104 /nfs/dbraw/zinc/49/11/04/1298491104.db2.gz PCZFFNNQROXUJQ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605497 1313510498 /nfs/dbraw/zinc/51/04/98/1313510498.db2.gz RQQNQHQURGDCBL-NEWSRXKRSA-N 2 1 327.472 2.659 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338501 1298574930 /nfs/dbraw/zinc/57/49/30/1298574930.db2.gz FZCYBIPCVNPZJB-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338501 1298574939 /nfs/dbraw/zinc/57/49/39/1298574939.db2.gz FZCYBIPCVNPZJB-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961340408 1298578553 /nfs/dbraw/zinc/57/85/53/1298578553.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961340408 1298578560 /nfs/dbraw/zinc/57/85/60/1298578560.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961340408 1298578571 /nfs/dbraw/zinc/57/85/71/1298578571.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961340396 1298579137 /nfs/dbraw/zinc/57/91/37/1298579137.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961340396 1298579145 /nfs/dbraw/zinc/57/91/45/1298579145.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961340396 1298579151 /nfs/dbraw/zinc/57/91/51/1298579151.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961349468 1298594712 /nfs/dbraw/zinc/59/47/12/1298594712.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961349468 1298594721 /nfs/dbraw/zinc/59/47/21/1298594721.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961349468 1298594724 /nfs/dbraw/zinc/59/47/24/1298594724.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961365491 1298620806 /nfs/dbraw/zinc/62/08/06/1298620806.db2.gz DTNNGDBWZSJPDJ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365491 1298620819 /nfs/dbraw/zinc/62/08/19/1298620819.db2.gz DTNNGDBWZSJPDJ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365491 1298620828 /nfs/dbraw/zinc/62/08/28/1298620828.db2.gz DTNNGDBWZSJPDJ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961367442 1298627579 /nfs/dbraw/zinc/62/75/79/1298627579.db2.gz MSECIWVIECOTGU-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961367442 1298627588 /nfs/dbraw/zinc/62/75/88/1298627588.db2.gz MSECIWVIECOTGU-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961367442 1298627599 /nfs/dbraw/zinc/62/75/99/1298627599.db2.gz MSECIWVIECOTGU-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372291 1298635101 /nfs/dbraw/zinc/63/51/01/1298635101.db2.gz AVKAZQMIWOTQNL-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376404 1298646999 /nfs/dbraw/zinc/64/69/99/1298646999.db2.gz STGQXICLOKJEDI-MOPGFXCFSA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377991 1298648638 /nfs/dbraw/zinc/64/86/38/1298648638.db2.gz JSUUZIVIBWVNPX-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872909 1313531876 /nfs/dbraw/zinc/53/18/76/1313531876.db2.gz YCHDAWXKMAMYFY-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961383742 1298658917 /nfs/dbraw/zinc/65/89/17/1298658917.db2.gz LUPPTLXMZVTYKT-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961407346 1298701022 /nfs/dbraw/zinc/70/10/22/1298701022.db2.gz XCPANMQFLRWYKY-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961407346 1298701032 /nfs/dbraw/zinc/70/10/32/1298701032.db2.gz XCPANMQFLRWYKY-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961407346 1298701041 /nfs/dbraw/zinc/70/10/41/1298701041.db2.gz XCPANMQFLRWYKY-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)ccc2F)CC1 ZINC001236975391 1313563850 /nfs/dbraw/zinc/56/38/50/1313563850.db2.gz YXIGBOYTVXSZHU-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc2F)CC1 ZINC001236975391 1313563853 /nfs/dbraw/zinc/56/38/53/1313563853.db2.gz YXIGBOYTVXSZHU-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953517 1313570237 /nfs/dbraw/zinc/57/02/37/1313570237.db2.gz PDFUFTIYPSKQCP-SFHVURJKSA-N 2 1 349.906 2.870 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969960 1313575802 /nfs/dbraw/zinc/57/58/02/1313575802.db2.gz VISTZVCWFAMNJI-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969960 1313575805 /nfs/dbraw/zinc/57/58/05/1313575805.db2.gz VISTZVCWFAMNJI-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001490619193 1299049528 /nfs/dbraw/zinc/04/95/28/1299049528.db2.gz WBRSDNPFRFFECB-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207007739 1313587350 /nfs/dbraw/zinc/58/73/50/1313587350.db2.gz PIXKLLRTUFSWAC-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207007739 1313587353 /nfs/dbraw/zinc/58/73/53/1313587353.db2.gz PIXKLLRTUFSWAC-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949362 1313609340 /nfs/dbraw/zinc/60/93/40/1313609340.db2.gz LYMCSYVVYJTUMC-BGYRXZFFSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949362 1313609344 /nfs/dbraw/zinc/60/93/44/1313609344.db2.gz LYMCSYVVYJTUMC-BGYRXZFFSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052150 1313660101 /nfs/dbraw/zinc/66/01/01/1313660101.db2.gz MABNWGAIPLNTPH-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052150 1313660103 /nfs/dbraw/zinc/66/01/03/1313660103.db2.gz MABNWGAIPLNTPH-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052150 1313660106 /nfs/dbraw/zinc/66/01/06/1313660106.db2.gz MABNWGAIPLNTPH-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237614739 1313677643 /nfs/dbraw/zinc/67/76/43/1313677643.db2.gz RGKKJVKWFHXNQL-UHFFFAOYSA-N 2 1 325.460 2.758 20 30 EFEDMP CC(C)[N@H+]1CCCC[C@@H]1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853674382 1300223665 /nfs/dbraw/zinc/22/36/65/1300223665.db2.gz XKNNZTQNYQNRRV-GOSISDBHSA-N 2 1 332.492 2.648 20 30 EFEDMP N#Cc1ccc(CCC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278129705 1313688028 /nfs/dbraw/zinc/68/80/28/1313688028.db2.gz UJKSWPVRVWVJQT-UHFFFAOYSA-N 2 1 349.482 2.812 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccccc2OC)CC1 ZINC001207461582 1313689528 /nfs/dbraw/zinc/68/95/28/1313689528.db2.gz WVBHRGBWOVPTAQ-UHFFFAOYSA-N 2 1 343.515 2.529 20 30 EFEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232580 1300480612 /nfs/dbraw/zinc/48/06/12/1300480612.db2.gz UNZQIDYSCQVFIH-GFCCVEGCSA-N 2 1 348.834 2.623 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776742202 1300573142 /nfs/dbraw/zinc/57/31/42/1300573142.db2.gz ZFRAORDCDVNCPZ-GJZGRUSLSA-N 2 1 331.435 2.849 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315445 1300580575 /nfs/dbraw/zinc/58/05/75/1300580575.db2.gz STHOQAFSDMKFRH-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315445 1300580578 /nfs/dbraw/zinc/58/05/78/1300580578.db2.gz STHOQAFSDMKFRH-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315445 1300580581 /nfs/dbraw/zinc/58/05/81/1300580581.db2.gz STHOQAFSDMKFRH-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322627 1300598312 /nfs/dbraw/zinc/59/83/12/1300598312.db2.gz HVPDQEKWVYOOLE-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328322 1300611608 /nfs/dbraw/zinc/61/16/08/1300611608.db2.gz NUSCFFTXTSOLJZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337312 1300631534 /nfs/dbraw/zinc/63/15/34/1300631534.db2.gz NQGLQJSXSAWPMU-ROUUACIJSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337213 1300632220 /nfs/dbraw/zinc/63/22/20/1300632220.db2.gz MAJGQGVGGCZVTO-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337213 1300632230 /nfs/dbraw/zinc/63/22/30/1300632230.db2.gz MAJGQGVGGCZVTO-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358564 1300680991 /nfs/dbraw/zinc/68/09/91/1300680991.db2.gz UKFQXXJXZCFTHA-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384213 1300741376 /nfs/dbraw/zinc/74/13/76/1300741376.db2.gz RRAMCYVQPSZKLS-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390201 1300754161 /nfs/dbraw/zinc/75/41/61/1300754161.db2.gz KCCSEXQJQLZNNQ-SJLPKXTDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390201 1300754168 /nfs/dbraw/zinc/75/41/68/1300754168.db2.gz KCCSEXQJQLZNNQ-SJLPKXTDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429616 1300837009 /nfs/dbraw/zinc/83/70/09/1300837009.db2.gz QHLSTGGQNLFIEE-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018165809 1313722640 /nfs/dbraw/zinc/72/26/40/1313722640.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001018165809 1313722642 /nfs/dbraw/zinc/72/26/42/1313722642.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018165809 1313722643 /nfs/dbraw/zinc/72/26/43/1313722643.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018165809 1313722646 /nfs/dbraw/zinc/72/26/46/1313722646.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018165809 1313722647 /nfs/dbraw/zinc/72/26/47/1313722647.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432061 1300844590 /nfs/dbraw/zinc/84/45/90/1300844590.db2.gz ZTDHGVBVSAHIDI-VQTJNVASSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000963956183 1301517499 /nfs/dbraw/zinc/51/74/99/1301517499.db2.gz YZYDHDNLQOCTAT-UHFFFAOYSA-N 2 1 332.492 2.942 20 30 EFEDMP Cn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CCCCF)C3)cc1C#N ZINC001278205410 1313786574 /nfs/dbraw/zinc/78/65/74/1313786574.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 1 332.467 2.934 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504486 1301792162 /nfs/dbraw/zinc/79/21/62/1301792162.db2.gz UGHAVLHLSVIWCU-LJQANCHMSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018312044 1313806439 /nfs/dbraw/zinc/80/64/39/1313806439.db2.gz AISTXEMWFUKRMG-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964645667 1302127341 /nfs/dbraw/zinc/12/73/41/1302127341.db2.gz YOAJLLJURWLALF-FUSSNKQKSA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208050246 1313834738 /nfs/dbraw/zinc/83/47/38/1313834738.db2.gz WWFUGMFIOZGHCF-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097077725 1313840629 /nfs/dbraw/zinc/84/06/29/1313840629.db2.gz GDOVVEOUABSMCI-AITUJVMLSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097077725 1313840630 /nfs/dbraw/zinc/84/06/30/1313840630.db2.gz GDOVVEOUABSMCI-AITUJVMLSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073443 1313841187 /nfs/dbraw/zinc/84/11/87/1313841187.db2.gz JZXUZQMMDDVKOT-DLBZAZTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208092974 1313846017 /nfs/dbraw/zinc/84/60/17/1313846017.db2.gz ZZLNESKWEOPOSH-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092712 1313846427 /nfs/dbraw/zinc/84/64/27/1313846427.db2.gz VWFHAERXPNATRM-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208106267 1313848455 /nfs/dbraw/zinc/84/84/55/1313848455.db2.gz ASZZNMMJYMXBMD-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110867 1313849711 /nfs/dbraw/zinc/84/97/11/1313849711.db2.gz WGQVPZBIZLGCNS-QUCCMNQESA-N 2 1 336.520 2.792 20 30 EFEDMP N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)s1 ZINC000863552113 1302647369 /nfs/dbraw/zinc/64/73/69/1302647369.db2.gz JYSHKUPAPXIWBW-QGZVFWFLSA-N 2 1 341.480 2.833 20 30 EFEDMP CCc1cc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)ccc1C#N ZINC001238777975 1313867725 /nfs/dbraw/zinc/86/77/25/1313867725.db2.gz KCKAZFYPNAZLLO-UHFFFAOYSA-N 2 1 342.531 2.970 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619103 1303034533 /nfs/dbraw/zinc/03/45/33/1303034533.db2.gz QGWSHEIVCUWYRN-PIIMJCKOSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208352450 1313908484 /nfs/dbraw/zinc/90/84/84/1313908484.db2.gz FTIXUNJFUKCTGX-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208352450 1313908488 /nfs/dbraw/zinc/90/84/88/1313908488.db2.gz FTIXUNJFUKCTGX-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCCC)C1 ZINC001208356576 1313909749 /nfs/dbraw/zinc/90/97/49/1313909749.db2.gz VEJXLGLWUAHVFT-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCCC)C1 ZINC001208356576 1313909750 /nfs/dbraw/zinc/90/97/50/1313909750.db2.gz VEJXLGLWUAHVFT-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485978 1304009469 /nfs/dbraw/zinc/00/94/69/1304009469.db2.gz BXTOSRYQXALKGF-HOCLYGCPSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485978 1304009476 /nfs/dbraw/zinc/00/94/76/1304009476.db2.gz BXTOSRYQXALKGF-HOCLYGCPSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1ccnc1 ZINC001114898956 1304193059 /nfs/dbraw/zinc/19/30/59/1304193059.db2.gz JQPUEOKMTMZZDF-VXNCWWDNSA-N 2 1 330.476 2.627 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596099 1313971763 /nfs/dbraw/zinc/97/17/63/1313971763.db2.gz BKPZYUTXBLULKJ-VQTJNVASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596100 1313972002 /nfs/dbraw/zinc/97/20/02/1313972002.db2.gz BKPZYUTXBLULKJ-WOJBJXKFSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596098 1313972321 /nfs/dbraw/zinc/97/23/21/1313972321.db2.gz BKPZYUTXBLULKJ-UXHICEINSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]2CC ZINC001208607093 1313976093 /nfs/dbraw/zinc/97/60/93/1313976093.db2.gz IZPXGDPSFKKILP-HBFSDRIKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]2CC ZINC001208607093 1313976095 /nfs/dbraw/zinc/97/60/95/1313976095.db2.gz IZPXGDPSFKKILP-HBFSDRIKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]2CC ZINC001208607093 1313976096 /nfs/dbraw/zinc/97/60/96/1313976096.db2.gz IZPXGDPSFKKILP-HBFSDRIKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]2CC ZINC001208607093 1313976098 /nfs/dbraw/zinc/97/60/98/1313976098.db2.gz IZPXGDPSFKKILP-HBFSDRIKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037927013 1304817162 /nfs/dbraw/zinc/81/71/62/1304817162.db2.gz PIUYXYDMCYVDLW-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397860 1304944564 /nfs/dbraw/zinc/94/45/64/1304944564.db2.gz SSKQTHCAYQEZGN-YJBOKZPZSA-N 2 1 326.444 2.741 20 30 EFEDMP N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240345694 1314022549 /nfs/dbraw/zinc/02/25/49/1314022549.db2.gz OHAYEKWNAYGWLD-UHFFFAOYSA-N 2 1 333.435 2.744 20 30 EFEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc1C#N ZINC001276609025 1314072338 /nfs/dbraw/zinc/07/23/38/1314072338.db2.gz ZZMNANQSGHSJNZ-UHFFFAOYSA-N 2 1 337.471 2.713 20 30 EFEDMP C=CCN(CC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(=O)OCC ZINC001209021840 1314072347 /nfs/dbraw/zinc/07/23/47/1314072347.db2.gz MWISCYRQJWXKCE-SFHVURJKSA-N 2 1 337.508 2.971 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(=O)OCC ZINC001209021840 1314072349 /nfs/dbraw/zinc/07/23/49/1314072349.db2.gz MWISCYRQJWXKCE-SFHVURJKSA-N 2 1 337.508 2.971 20 30 EFEDMP C=CCN(CC[N@@H+](C)C1CC[NH+](CCCC)CC1)C(=O)OCC ZINC001209024396 1314073374 /nfs/dbraw/zinc/07/33/74/1314073374.db2.gz QVTKRTBVKLOVCB-UHFFFAOYSA-N 2 1 325.497 2.827 20 30 EFEDMP C=CCN(CC[N@H+](C)C1CC[NH+](CCCC)CC1)C(=O)OCC ZINC001209024396 1314073376 /nfs/dbraw/zinc/07/33/76/1314073376.db2.gz QVTKRTBVKLOVCB-UHFFFAOYSA-N 2 1 325.497 2.827 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001246305149 1314608839 /nfs/dbraw/zinc/60/88/39/1314608839.db2.gz GWZXVORKFIUWCR-RDBSUJKOSA-N 2 1 336.398 2.924 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326776 1306136343 /nfs/dbraw/zinc/13/63/43/1306136343.db2.gz IUHWRRVCTUMYQH-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496930 1306400802 /nfs/dbraw/zinc/40/08/02/1306400802.db2.gz FJODTGNLDYDFOU-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525365 1306431441 /nfs/dbraw/zinc/43/14/41/1306431441.db2.gz QGCKNFMVBGVJTQ-LPHOPBHVSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681892 1306563902 /nfs/dbraw/zinc/56/39/02/1306563902.db2.gz MIDFBNBDVXUIJP-YLJYHZDGSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681890 1306564493 /nfs/dbraw/zinc/56/44/93/1306564493.db2.gz MIDFBNBDVXUIJP-PXNSSMCTSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C)CC1 ZINC000968683219 1306565372 /nfs/dbraw/zinc/56/53/72/1306565372.db2.gz ZVMWQJSLRWPNBL-HKUYNNGSSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882310 1306754601 /nfs/dbraw/zinc/75/46/01/1306754601.db2.gz LJBGKCRBCPIQAJ-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887865 1306759971 /nfs/dbraw/zinc/75/99/71/1306759971.db2.gz NZPRWNGKMXDYBL-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887380 1306760821 /nfs/dbraw/zinc/76/08/21/1306760821.db2.gz CBHMJSWLDVDBEP-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887380 1306760826 /nfs/dbraw/zinc/76/08/26/1306760826.db2.gz CBHMJSWLDVDBEP-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887380 1306760830 /nfs/dbraw/zinc/76/08/30/1306760830.db2.gz CBHMJSWLDVDBEP-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044767222 1306786806 /nfs/dbraw/zinc/78/68/06/1306786806.db2.gz MQPPMWZSLDXKAE-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022302 1306899215 /nfs/dbraw/zinc/89/92/15/1306899215.db2.gz BKHQEXOCWJPBCT-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022302 1306899219 /nfs/dbraw/zinc/89/92/19/1306899219.db2.gz BKHQEXOCWJPBCT-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022301 1306900131 /nfs/dbraw/zinc/90/01/31/1306900131.db2.gz BKHQEXOCWJPBCT-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022301 1306900135 /nfs/dbraw/zinc/90/01/35/1306900135.db2.gz BKHQEXOCWJPBCT-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209425057 1314161803 /nfs/dbraw/zinc/16/18/03/1314161803.db2.gz YULGNHYPCODYIF-NHCUHLMSSA-N 2 1 349.563 2.994 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209425057 1314161804 /nfs/dbraw/zinc/16/18/04/1314161804.db2.gz YULGNHYPCODYIF-NHCUHLMSSA-N 2 1 349.563 2.994 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209425057 1314161805 /nfs/dbraw/zinc/16/18/05/1314161805.db2.gz YULGNHYPCODYIF-NHCUHLMSSA-N 2 1 349.563 2.994 20 30 EFEDMP C=CCCCCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209435801 1314162692 /nfs/dbraw/zinc/16/26/92/1314162692.db2.gz NLVKFQSKVBYKMP-UHFFFAOYSA-N 2 1 345.531 2.947 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209449784 1314164948 /nfs/dbraw/zinc/16/49/48/1314164948.db2.gz LFFYBOSGQOJHOJ-FQEVSTJZSA-N 2 1 333.520 2.896 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437995 1307338336 /nfs/dbraw/zinc/33/83/36/1307338336.db2.gz IJEPDBOXYSWYQR-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045438671 1307339466 /nfs/dbraw/zinc/33/94/66/1307339466.db2.gz VNOWXKKUHVNWAP-OAHLLOKOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438671 1307339468 /nfs/dbraw/zinc/33/94/68/1307339468.db2.gz VNOWXKKUHVNWAP-OAHLLOKOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441438 1307341032 /nfs/dbraw/zinc/34/10/32/1307341032.db2.gz FXQNNGMMZCPKPO-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461819 1307356747 /nfs/dbraw/zinc/35/67/47/1307356747.db2.gz PAGSQXHGHOUFHP-MRXNPFEDSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475870 1307365468 /nfs/dbraw/zinc/36/54/68/1307365468.db2.gz VAXYAZOQYYWUMP-MSOLQXFVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045556621 1307427355 /nfs/dbraw/zinc/42/73/55/1307427355.db2.gz HTQZCEXITQORFF-KRWDZBQOSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585458 1307449266 /nfs/dbraw/zinc/44/92/66/1307449266.db2.gz QTYPUBFWCUNELJ-CVEARBPZSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585458 1307449269 /nfs/dbraw/zinc/44/92/69/1307449269.db2.gz QTYPUBFWCUNELJ-CVEARBPZSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723875 1307569712 /nfs/dbraw/zinc/56/97/12/1307569712.db2.gz RTMWJZUOQBINFF-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640405 1314205961 /nfs/dbraw/zinc/20/59/61/1314205961.db2.gz BXXFSUACQFIEPF-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053508 1307788835 /nfs/dbraw/zinc/78/88/35/1307788835.db2.gz VGVYVLLQTOTYIG-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921970 1307900087 /nfs/dbraw/zinc/90/00/87/1307900087.db2.gz WMAXWZYIPCIGAA-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921970 1307900088 /nfs/dbraw/zinc/90/00/88/1307900088.db2.gz WMAXWZYIPCIGAA-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921970 1307900092 /nfs/dbraw/zinc/90/00/92/1307900092.db2.gz WMAXWZYIPCIGAA-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045941901 1307951231 /nfs/dbraw/zinc/95/12/31/1307951231.db2.gz OMNYTJSUGPCDDM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941901 1307951238 /nfs/dbraw/zinc/95/12/38/1307951238.db2.gz OMNYTJSUGPCDDM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941901 1307951241 /nfs/dbraw/zinc/95/12/41/1307951241.db2.gz OMNYTJSUGPCDDM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942447 1307953385 /nfs/dbraw/zinc/95/33/85/1307953385.db2.gz XPVSFPCBQHZTDL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045942447 1307953381 /nfs/dbraw/zinc/95/33/81/1307953381.db2.gz XPVSFPCBQHZTDL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942447 1307953392 /nfs/dbraw/zinc/95/33/92/1307953392.db2.gz XPVSFPCBQHZTDL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943035 1307956256 /nfs/dbraw/zinc/95/62/56/1307956256.db2.gz FJQMFQPOHONEBV-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045946856 1307968458 /nfs/dbraw/zinc/96/84/58/1307968458.db2.gz BWRYKHDXZHTDBC-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947486 1307970917 /nfs/dbraw/zinc/97/09/17/1307970917.db2.gz LZNQKCVLFRXNJA-SJLPKXTDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958531 1308000335 /nfs/dbraw/zinc/00/03/35/1308000335.db2.gz SUUJFFICWTUJRM-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958877 1308001443 /nfs/dbraw/zinc/00/14/43/1308001443.db2.gz YTTSMMIWORPEFZ-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961261 1308008985 /nfs/dbraw/zinc/00/89/85/1308008985.db2.gz JYPIRWQAOQMLEQ-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961261 1308008987 /nfs/dbraw/zinc/00/89/87/1308008987.db2.gz JYPIRWQAOQMLEQ-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961261 1308008988 /nfs/dbraw/zinc/00/89/88/1308008988.db2.gz JYPIRWQAOQMLEQ-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045967388 1308025251 /nfs/dbraw/zinc/02/52/51/1308025251.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967388 1308025255 /nfs/dbraw/zinc/02/52/55/1308025255.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967388 1308025260 /nfs/dbraw/zinc/02/52/60/1308025260.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970120 1308034994 /nfs/dbraw/zinc/03/49/94/1308034994.db2.gz BGQIOKBPLCEKLA-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979398 1308061622 /nfs/dbraw/zinc/06/16/22/1308061622.db2.gz DCBZPKLCPLPENZ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979398 1308061628 /nfs/dbraw/zinc/06/16/28/1308061628.db2.gz DCBZPKLCPLPENZ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979398 1308061635 /nfs/dbraw/zinc/06/16/35/1308061635.db2.gz DCBZPKLCPLPENZ-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986342 1308087318 /nfs/dbraw/zinc/08/73/18/1308087318.db2.gz NWCGSNDJOQXKTN-OAQYLSRUSA-N 2 1 345.531 2.590 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883725 1314253313 /nfs/dbraw/zinc/25/33/13/1314253313.db2.gz OGQZLOGTTLTWGZ-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957527 1314263858 /nfs/dbraw/zinc/26/38/58/1314263858.db2.gz AGCUWXHGFGVLOJ-ZIFCJYIRSA-N 2 1 335.536 2.898 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626326 1308954282 /nfs/dbraw/zinc/95/42/82/1308954282.db2.gz RQUCBLNOZOUAOS-NRFANRHFSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708435 1314313877 /nfs/dbraw/zinc/31/38/77/1314313877.db2.gz ACEAJOZJROGSLM-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046938104 1309718161 /nfs/dbraw/zinc/71/81/61/1309718161.db2.gz OKYXADSFBCYTSE-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046938104 1309718165 /nfs/dbraw/zinc/71/81/65/1309718165.db2.gz OKYXADSFBCYTSE-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046938104 1309718168 /nfs/dbraw/zinc/71/81/68/1309718168.db2.gz OKYXADSFBCYTSE-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046954300 1309758528 /nfs/dbraw/zinc/75/85/28/1309758528.db2.gz QLDVXACVYBVXNO-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954300 1309758532 /nfs/dbraw/zinc/75/85/32/1309758532.db2.gz QLDVXACVYBVXNO-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954300 1309758536 /nfs/dbraw/zinc/75/85/36/1309758536.db2.gz QLDVXACVYBVXNO-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001046977835 1309824526 /nfs/dbraw/zinc/82/45/26/1309824526.db2.gz MRVFJKGZQQLLIK-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977835 1309824537 /nfs/dbraw/zinc/82/45/37/1309824537.db2.gz MRVFJKGZQQLLIK-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977835 1309824547 /nfs/dbraw/zinc/82/45/47/1309824547.db2.gz MRVFJKGZQQLLIK-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764644 1314358536 /nfs/dbraw/zinc/35/85/36/1314358536.db2.gz QBPVLROVRSWOAR-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764644 1314358540 /nfs/dbraw/zinc/35/85/40/1314358540.db2.gz QBPVLROVRSWOAR-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764644 1314358544 /nfs/dbraw/zinc/35/85/44/1314358544.db2.gz QBPVLROVRSWOAR-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210646267 1314366118 /nfs/dbraw/zinc/36/61/18/1314366118.db2.gz WJJYQOMYYBZJNJ-RBUKOAKNSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047242055 1310393800 /nfs/dbraw/zinc/39/38/00/1310393800.db2.gz QVHZACLSQVXXAR-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256065 1310429321 /nfs/dbraw/zinc/42/93/21/1310429321.db2.gz GATDAUIUIPCVES-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265369 1310457529 /nfs/dbraw/zinc/45/75/29/1310457529.db2.gz ZBQLHHSEOZOAIR-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265440 1310457700 /nfs/dbraw/zinc/45/77/00/1310457700.db2.gz RIASTGMCDLRPEC-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265443 1310458120 /nfs/dbraw/zinc/45/81/20/1310458120.db2.gz RIASTGMCDLRPEC-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836247 1314407228 /nfs/dbraw/zinc/40/72/28/1314407228.db2.gz HKKVTUJKKNWAPO-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669327 1311010232 /nfs/dbraw/zinc/01/02/32/1311010232.db2.gz HKYJKRDJNOVQJK-KZNAEPCWSA-N 2 1 331.504 2.502 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771697 1311029173 /nfs/dbraw/zinc/02/91/73/1311029173.db2.gz FMDUNOFBLDLSEE-QZTJIDSGSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873106 1311045720 /nfs/dbraw/zinc/04/57/20/1311045720.db2.gz PSNAUCNROKMFLG-QXAKKESOSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873106 1311045723 /nfs/dbraw/zinc/04/57/23/1311045723.db2.gz PSNAUCNROKMFLG-QXAKKESOSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098871056 1311048618 /nfs/dbraw/zinc/04/86/18/1311048618.db2.gz ZXKZMZZDNGHUPB-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871056 1311048620 /nfs/dbraw/zinc/04/86/20/1311048620.db2.gz ZXKZMZZDNGHUPB-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871056 1311048623 /nfs/dbraw/zinc/04/86/23/1311048623.db2.gz ZXKZMZZDNGHUPB-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001222049559 1311073743 /nfs/dbraw/zinc/07/37/43/1311073743.db2.gz FTUWQDQYVWHIQX-VAMGGRTRSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050014 1311075292 /nfs/dbraw/zinc/07/52/92/1311075292.db2.gz QZQRYEOXGVQOJT-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340788 1311088293 /nfs/dbraw/zinc/08/82/93/1311088293.db2.gz ZFNYVQGYVXAESE-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340788 1311088296 /nfs/dbraw/zinc/08/82/96/1311088296.db2.gz ZFNYVQGYVXAESE-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491139 1311097675 /nfs/dbraw/zinc/09/76/75/1311097675.db2.gz YTSVOENSMPSAOP-OKYOBFRVSA-N 2 1 345.531 2.606 20 30 EFEDMP CCCCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521545 1311146450 /nfs/dbraw/zinc/14/64/50/1311146450.db2.gz VPOZLTSPVILOHC-HXUWFJFHSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656497 1311167936 /nfs/dbraw/zinc/16/79/36/1311167936.db2.gz KDDSNFFCHKFSJD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656497 1311167937 /nfs/dbraw/zinc/16/79/37/1311167937.db2.gz KDDSNFFCHKFSJD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001222877642 1311193946 /nfs/dbraw/zinc/19/39/46/1311193946.db2.gz YPOJOKOKDPYWFI-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001222877642 1311193948 /nfs/dbraw/zinc/19/39/48/1311193948.db2.gz YPOJOKOKDPYWFI-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001222877642 1311193949 /nfs/dbraw/zinc/19/39/49/1311193949.db2.gz YPOJOKOKDPYWFI-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276858103 1311211391 /nfs/dbraw/zinc/21/13/91/1311211391.db2.gz BDJKRHLEPUNNIL-NRFANRHFSA-N 2 1 340.515 2.716 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001223039378 1311211717 /nfs/dbraw/zinc/21/17/17/1311211717.db2.gz ICKLHUVWDDWMFX-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001223039378 1311211719 /nfs/dbraw/zinc/21/17/19/1311211719.db2.gz ICKLHUVWDDWMFX-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001223039378 1311211722 /nfs/dbraw/zinc/21/17/22/1311211722.db2.gz ICKLHUVWDDWMFX-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223194123 1311228752 /nfs/dbraw/zinc/22/87/52/1311228752.db2.gz YGHTUZMCPLRIDB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223194123 1311228753 /nfs/dbraw/zinc/22/87/53/1311228753.db2.gz YGHTUZMCPLRIDB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223194123 1311228756 /nfs/dbraw/zinc/22/87/56/1311228756.db2.gz YGHTUZMCPLRIDB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258461 1311233573 /nfs/dbraw/zinc/23/35/73/1311233573.db2.gz JMYPOEFSSZQXAL-MRXNPFEDSA-N 2 1 332.492 2.801 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001223495171 1311268412 /nfs/dbraw/zinc/26/84/12/1311268412.db2.gz LYTVMDLUABDHIC-QUCCMNQESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001223495171 1311268415 /nfs/dbraw/zinc/26/84/15/1311268415.db2.gz LYTVMDLUABDHIC-QUCCMNQESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223900833 1311318583 /nfs/dbraw/zinc/31/85/83/1311318583.db2.gz LBYVZEWXLDHEIB-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222694 1311362606 /nfs/dbraw/zinc/36/26/06/1311362606.db2.gz VTRBRNSIAZYZOC-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980358 1311405951 /nfs/dbraw/zinc/40/59/51/1311405951.db2.gz WKGWPAVZVKWJCH-PZJWPPBQSA-N 2 1 347.547 2.692 20 30 EFEDMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872607 1311407218 /nfs/dbraw/zinc/40/72/18/1311407218.db2.gz RGMYPBSBNVCXRQ-FUHWJXTLSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872607 1311407219 /nfs/dbraw/zinc/40/72/19/1311407219.db2.gz RGMYPBSBNVCXRQ-FUHWJXTLSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913831 1311415918 /nfs/dbraw/zinc/41/59/18/1311415918.db2.gz FOBKQHNHSAFOKJ-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224713364 1311426530 /nfs/dbraw/zinc/42/65/30/1311426530.db2.gz QJPDMOPSXHSGCU-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826000 1311439556 /nfs/dbraw/zinc/43/95/56/1311439556.db2.gz NSBSTGHMQFOCOL-HETMTNPWSA-N 2 1 342.483 2.528 20 30 EFEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826000 1311439558 /nfs/dbraw/zinc/43/95/58/1311439558.db2.gz NSBSTGHMQFOCOL-HETMTNPWSA-N 2 1 342.483 2.528 20 30 EFEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826000 1311439560 /nfs/dbraw/zinc/43/95/60/1311439560.db2.gz NSBSTGHMQFOCOL-HETMTNPWSA-N 2 1 342.483 2.528 20 30 EFEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826000 1311439562 /nfs/dbraw/zinc/43/95/62/1311439562.db2.gz NSBSTGHMQFOCOL-HETMTNPWSA-N 2 1 342.483 2.528 20 30 EFEDMP N#Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1N1CC[NH2+]CC1 ZINC001159748926 1311577666 /nfs/dbraw/zinc/57/76/66/1311577666.db2.gz PPMZDLDGOSJKHE-UHFFFAOYSA-N 2 1 347.344 2.547 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001159928594 1311611179 /nfs/dbraw/zinc/61/11/79/1311611179.db2.gz PDSZPIUHWVZUBI-AWEZNQCLSA-N 2 1 339.867 2.787 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131465 1311650366 /nfs/dbraw/zinc/65/03/66/1311650366.db2.gz MUOCJOPBLUBJNR-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131021 1311651000 /nfs/dbraw/zinc/65/10/00/1311651000.db2.gz CYCPGXBQSYDKGN-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131021 1311651002 /nfs/dbraw/zinc/65/10/02/1311651002.db2.gz CYCPGXBQSYDKGN-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131021 1311651003 /nfs/dbraw/zinc/65/10/03/1311651003.db2.gz CYCPGXBQSYDKGN-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155453 1311656747 /nfs/dbraw/zinc/65/67/47/1311656747.db2.gz GIFBQJHQFJJWHR-XLIONFOSSA-N 2 1 345.531 2.821 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175469 1311659496 /nfs/dbraw/zinc/65/94/96/1311659496.db2.gz SZYMWPNDTKHJKF-YQVWRLOYSA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175469 1311659500 /nfs/dbraw/zinc/65/95/00/1311659500.db2.gz SZYMWPNDTKHJKF-YQVWRLOYSA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175469 1311659504 /nfs/dbraw/zinc/65/95/04/1311659504.db2.gz SZYMWPNDTKHJKF-YQVWRLOYSA-N 2 1 333.520 2.820 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001160209344 1311665140 /nfs/dbraw/zinc/66/51/40/1311665140.db2.gz IORGPOKQEHVOKB-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001160209344 1311665143 /nfs/dbraw/zinc/66/51/43/1311665143.db2.gz IORGPOKQEHVOKB-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285126 1311679908 /nfs/dbraw/zinc/67/99/08/1311679908.db2.gz BIQIPFOWUFRRHD-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285126 1311679915 /nfs/dbraw/zinc/67/99/15/1311679915.db2.gz BIQIPFOWUFRRHD-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285126 1311679917 /nfs/dbraw/zinc/67/99/17/1311679917.db2.gz BIQIPFOWUFRRHD-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160291202 1311681305 /nfs/dbraw/zinc/68/13/05/1311681305.db2.gz GAAZOUBARGDRLC-SFHVURJKSA-N 2 1 339.499 2.771 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359847 1311696411 /nfs/dbraw/zinc/69/64/11/1311696411.db2.gz CRFOWNDAEITVGT-IBGZPJMESA-N 2 1 331.504 2.718 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359847 1311696414 /nfs/dbraw/zinc/69/64/14/1311696414.db2.gz CRFOWNDAEITVGT-IBGZPJMESA-N 2 1 331.504 2.718 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359847 1311696417 /nfs/dbraw/zinc/69/64/17/1311696417.db2.gz CRFOWNDAEITVGT-IBGZPJMESA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379157 1311700000 /nfs/dbraw/zinc/70/00/00/1311700000.db2.gz CZMJFPFPVJZQEI-KRWDZBQOSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379157 1311700003 /nfs/dbraw/zinc/70/00/03/1311700003.db2.gz CZMJFPFPVJZQEI-KRWDZBQOSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379157 1311700007 /nfs/dbraw/zinc/70/00/07/1311700007.db2.gz CZMJFPFPVJZQEI-KRWDZBQOSA-N 2 1 333.520 2.964 20 30 EFEDMP N#Cc1ccc(-c2cccs2)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160519940 1311726343 /nfs/dbraw/zinc/72/63/43/1311726343.db2.gz OASAIASNHMMAIM-GOSISDBHSA-N 2 1 339.468 2.517 20 30 EFEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277159654 1311731124 /nfs/dbraw/zinc/73/11/24/1311731124.db2.gz LTFSCZDLQNEJLL-WIYYLYMNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546794 1311733997 /nfs/dbraw/zinc/73/39/97/1311733997.db2.gz YMDDMSZVGBRIMT-UHFFFAOYSA-N 2 1 342.487 2.622 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676890 1311756945 /nfs/dbraw/zinc/75/69/45/1311756945.db2.gz KDWXWGBPBORARA-MRXNPFEDSA-N 2 1 330.476 2.685 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676890 1311756949 /nfs/dbraw/zinc/75/69/49/1311756949.db2.gz KDWXWGBPBORARA-MRXNPFEDSA-N 2 1 330.476 2.685 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787199 1311781151 /nfs/dbraw/zinc/78/11/51/1311781151.db2.gz KEWFIHYCZKMKMA-LJQANCHMSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNc1cccc(OCC[NH+]2CCCC2)n1 ZINC001160953528 1311820750 /nfs/dbraw/zinc/82/07/50/1311820750.db2.gz DCMYGJYGZCGEEZ-KRWDZBQOSA-N 2 1 330.476 2.619 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986719 1311829170 /nfs/dbraw/zinc/82/91/70/1311829170.db2.gz UCWXVVHKUWASFR-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986719 1311829173 /nfs/dbraw/zinc/82/91/73/1311829173.db2.gz UCWXVVHKUWASFR-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986719 1311829175 /nfs/dbraw/zinc/82/91/75/1311829175.db2.gz UCWXVVHKUWASFR-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985684 1311829416 /nfs/dbraw/zinc/82/94/16/1311829416.db2.gz GFVJXZAMDRAKCF-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985684 1311829418 /nfs/dbraw/zinc/82/94/18/1311829418.db2.gz GFVJXZAMDRAKCF-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985684 1311829421 /nfs/dbraw/zinc/82/94/21/1311829421.db2.gz GFVJXZAMDRAKCF-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985688 1311829652 /nfs/dbraw/zinc/82/96/52/1311829652.db2.gz GFVJXZAMDRAKCF-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985688 1311829655 /nfs/dbraw/zinc/82/96/55/1311829655.db2.gz GFVJXZAMDRAKCF-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985688 1311829658 /nfs/dbraw/zinc/82/96/58/1311829658.db2.gz GFVJXZAMDRAKCF-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990473 1311830033 /nfs/dbraw/zinc/83/00/33/1311830033.db2.gz AXLBAXXYTAPYNC-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990473 1311830035 /nfs/dbraw/zinc/83/00/35/1311830035.db2.gz AXLBAXXYTAPYNC-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792683 1311856344 /nfs/dbraw/zinc/85/63/44/1311856344.db2.gz RKUDZXGVZNYYIH-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525043 1311860034 /nfs/dbraw/zinc/86/00/34/1311860034.db2.gz ICVHYMYQMLEIDQ-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525043 1311860039 /nfs/dbraw/zinc/86/00/39/1311860039.db2.gz ICVHYMYQMLEIDQ-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525043 1311860041 /nfs/dbraw/zinc/86/00/41/1311860041.db2.gz ICVHYMYQMLEIDQ-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525042 1311860384 /nfs/dbraw/zinc/86/03/84/1311860384.db2.gz ICVHYMYQMLEIDQ-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525042 1311860387 /nfs/dbraw/zinc/86/03/87/1311860387.db2.gz ICVHYMYQMLEIDQ-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525042 1311860391 /nfs/dbraw/zinc/86/03/91/1311860391.db2.gz ICVHYMYQMLEIDQ-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048530058 1311868006 /nfs/dbraw/zinc/86/80/06/1311868006.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048530058 1311868008 /nfs/dbraw/zinc/86/80/08/1311868008.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048530058 1311868010 /nfs/dbraw/zinc/86/80/10/1311868010.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533114 1311872715 /nfs/dbraw/zinc/87/27/15/1311872715.db2.gz QCFAATHGFBGAPN-XMTFNYHQSA-N 2 1 342.487 2.696 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533114 1311872718 /nfs/dbraw/zinc/87/27/18/1311872718.db2.gz QCFAATHGFBGAPN-XMTFNYHQSA-N 2 1 342.487 2.696 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383055 1311874517 /nfs/dbraw/zinc/87/45/17/1311874517.db2.gz GWAXJVQRWAXSKQ-UHFFFAOYSA-N 2 1 342.487 2.558 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383055 1311874520 /nfs/dbraw/zinc/87/45/20/1311874520.db2.gz GWAXJVQRWAXSKQ-UHFFFAOYSA-N 2 1 342.487 2.558 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001161385955 1311874965 /nfs/dbraw/zinc/87/49/65/1311874965.db2.gz CRZZOZMIULSNNA-SJORKVTESA-N 2 1 331.460 2.834 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391239 1311876698 /nfs/dbraw/zinc/87/66/98/1311876698.db2.gz PFMIWVNCQQNVGJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391239 1311876702 /nfs/dbraw/zinc/87/67/02/1311876702.db2.gz PFMIWVNCQQNVGJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391239 1311876706 /nfs/dbraw/zinc/87/67/06/1311876706.db2.gz PFMIWVNCQQNVGJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048537455 1311877375 /nfs/dbraw/zinc/87/73/75/1311877375.db2.gz BJVOIFOKUCTUNX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048537455 1311877379 /nfs/dbraw/zinc/87/73/79/1311877379.db2.gz BJVOIFOKUCTUNX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048537455 1311877382 /nfs/dbraw/zinc/87/73/82/1311877382.db2.gz BJVOIFOKUCTUNX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391868 1311877505 /nfs/dbraw/zinc/87/75/05/1311877505.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391868 1311877507 /nfs/dbraw/zinc/87/75/07/1311877507.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391868 1311877508 /nfs/dbraw/zinc/87/75/08/1311877508.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538503 1311879171 /nfs/dbraw/zinc/87/91/71/1311879171.db2.gz XMRSBNZUDPZRSX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538503 1311879175 /nfs/dbraw/zinc/87/91/75/1311879175.db2.gz XMRSBNZUDPZRSX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538503 1311879178 /nfs/dbraw/zinc/87/91/78/1311879178.db2.gz XMRSBNZUDPZRSX-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583423 1311933511 /nfs/dbraw/zinc/93/35/11/1311933511.db2.gz KOTAFFLUCDOYKT-QTMHVTGLSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228415922 1311944549 /nfs/dbraw/zinc/94/45/49/1311944549.db2.gz WETWQWYMYNJCIE-UHFFFAOYSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001228448644 1311949503 /nfs/dbraw/zinc/94/95/03/1311949503.db2.gz OBSKBHYHSUQXHC-UHFFFAOYSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001228448644 1311949506 /nfs/dbraw/zinc/94/95/06/1311949506.db2.gz OBSKBHYHSUQXHC-UHFFFAOYSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457269 1311950424 /nfs/dbraw/zinc/95/04/24/1311950424.db2.gz NRDYJNMLVSPLPA-UHFFFAOYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704693 1311955694 /nfs/dbraw/zinc/95/56/94/1311955694.db2.gz GFAKQNKPXODZKM-OALUTQOASA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001228602111 1311968892 /nfs/dbraw/zinc/96/88/92/1311968892.db2.gz DDAYKMMCLHHZIV-QXAKKESOSA-N 2 1 344.503 2.737 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925001 1312004744 /nfs/dbraw/zinc/00/47/44/1312004744.db2.gz SJZUPXLGEAVBGU-ROUUACIJSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947056 1312011042 /nfs/dbraw/zinc/01/10/42/1312011042.db2.gz VDDLZAJOMHAWBJ-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952974 1312012724 /nfs/dbraw/zinc/01/27/24/1312012724.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952974 1312012728 /nfs/dbraw/zinc/01/27/28/1312012728.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952974 1312012732 /nfs/dbraw/zinc/01/27/32/1312012732.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127388 1312050518 /nfs/dbraw/zinc/05/05/18/1312050518.db2.gz YNKOUOFVMFHULM-QZTJIDSGSA-N 2 1 332.492 2.955 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001229222676 1312064148 /nfs/dbraw/zinc/06/41/48/1312064148.db2.gz FIZUKASWYRRGLB-UHFFFAOYSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001229400844 1312089337 /nfs/dbraw/zinc/08/93/37/1312089337.db2.gz MNBMSJZLPIHAAK-INIZCTEOSA-N 2 1 332.492 2.942 20 30 EFEDMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000902796890 1312115179 /nfs/dbraw/zinc/11/51/79/1312115179.db2.gz RKWKTQQGWXONHI-LJQANCHMSA-N 2 1 342.487 2.542 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229616360 1312119732 /nfs/dbraw/zinc/11/97/32/1312119732.db2.gz JHYVBDNIYUUTQS-MRXNPFEDSA-N 2 1 332.492 2.907 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001229615524 1312120258 /nfs/dbraw/zinc/12/02/58/1312120258.db2.gz NSFYULUXWDNGDT-QRVBRYPASA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821208 1312165759 /nfs/dbraw/zinc/16/57/59/1312165759.db2.gz VQFWVTZCZHXFMC-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821208 1312165762 /nfs/dbraw/zinc/16/57/62/1312165762.db2.gz VQFWVTZCZHXFMC-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821208 1312165765 /nfs/dbraw/zinc/16/57/65/1312165765.db2.gz VQFWVTZCZHXFMC-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162746796 1312166701 /nfs/dbraw/zinc/16/67/01/1312166701.db2.gz JCQGXMCHIPONBH-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001162832402 1312186346 /nfs/dbraw/zinc/18/63/46/1312186346.db2.gz RLFSAQKCDQUUEY-UHFFFAOYSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001162836818 1312187490 /nfs/dbraw/zinc/18/74/90/1312187490.db2.gz RPOBIRPPMZFKLW-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001162928831 1312206056 /nfs/dbraw/zinc/20/60/56/1312206056.db2.gz OYZYSYXVLSTAHX-IBGZPJMESA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001162929472 1312206238 /nfs/dbraw/zinc/20/62/38/1312206238.db2.gz ZFRHNXFZCRRCBB-LJQANCHMSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001162935477 1312206546 /nfs/dbraw/zinc/20/65/46/1312206546.db2.gz XWKTZAYHCUSKKF-UHFFFAOYSA-N 2 1 345.531 2.811 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230348110 1312226862 /nfs/dbraw/zinc/22/68/62/1312226862.db2.gz UUKHNPWDJPWFBL-RTBURBONSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230348110 1312226866 /nfs/dbraw/zinc/22/68/66/1312226866.db2.gz UUKHNPWDJPWFBL-RTBURBONSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001163111861 1312243403 /nfs/dbraw/zinc/24/34/03/1312243403.db2.gz XOJCYXHVAZSNTI-VBSBHUPXSA-N 2 1 327.472 2.656 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001230572852 1312269597 /nfs/dbraw/zinc/26/95/97/1312269597.db2.gz UWKSATVBSYMHGU-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581214 1312272806 /nfs/dbraw/zinc/27/28/06/1312272806.db2.gz WZUQKQJNNMYZHF-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591776 1312275887 /nfs/dbraw/zinc/27/58/87/1312275887.db2.gz JEHBKIJIFNWCGD-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001230598098 1312278287 /nfs/dbraw/zinc/27/82/87/1312278287.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001230598098 1312278289 /nfs/dbraw/zinc/27/82/89/1312278289.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001230598098 1312278292 /nfs/dbraw/zinc/27/82/92/1312278292.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598730 1312278887 /nfs/dbraw/zinc/27/88/87/1312278887.db2.gz XTLGMMQWVLQLIO-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610821 1312283325 /nfs/dbraw/zinc/28/33/25/1312283325.db2.gz IFVBMEHVTKXAKY-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619203 1312287024 /nfs/dbraw/zinc/28/70/24/1312287024.db2.gz WIMNPNBNRQHSSI-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230621838 1312287227 /nfs/dbraw/zinc/28/72/27/1312287227.db2.gz HPPNFQMKJROIDR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230621838 1312287231 /nfs/dbraw/zinc/28/72/31/1312287231.db2.gz HPPNFQMKJROIDR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230621838 1312287234 /nfs/dbraw/zinc/28/72/34/1312287234.db2.gz HPPNFQMKJROIDR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781661 1312340698 /nfs/dbraw/zinc/34/06/98/1312340698.db2.gz SNAFBOQJKKGQOK-IBGZPJMESA-N 2 1 346.519 2.552 20 30 EFEDMP C=C(C)C[NH+](CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230790281 1312344575 /nfs/dbraw/zinc/34/45/75/1312344575.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790281 1312344578 /nfs/dbraw/zinc/34/45/78/1312344578.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)C[N@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790281 1312344582 /nfs/dbraw/zinc/34/45/82/1312344582.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491880 1312524632 /nfs/dbraw/zinc/52/46/32/1312524632.db2.gz PAAIQKZXRWBWDZ-INIZCTEOSA-N 2 1 327.900 2.632 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165603 1312532889 /nfs/dbraw/zinc/53/28/89/1312532889.db2.gz VDJLDFLTLLZUMR-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165603 1312532893 /nfs/dbraw/zinc/53/28/93/1312532893.db2.gz VDJLDFLTLLZUMR-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165603 1312532896 /nfs/dbraw/zinc/53/28/96/1312532896.db2.gz VDJLDFLTLLZUMR-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578707 1312543462 /nfs/dbraw/zinc/54/34/62/1312543462.db2.gz NZRHLVNUBNKVLZ-INIZCTEOSA-N 2 1 332.492 2.849 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582704 1312544034 /nfs/dbraw/zinc/54/40/34/1312544034.db2.gz NPWQATWCSYOJRI-FGTMMUONSA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015475 1312606421 /nfs/dbraw/zinc/60/64/21/1312606421.db2.gz XDRGQGWYJXOZRS-MJGOQNOKSA-N 2 1 327.428 2.889 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232782 1312608123 /nfs/dbraw/zinc/60/81/23/1312608123.db2.gz ZLBZIPVAHFUPAJ-HDICACEKSA-N 2 1 347.890 2.505 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484701 1312636266 /nfs/dbraw/zinc/63/62/66/1312636266.db2.gz GZBPUZABDZUMBA-SFHVURJKSA-N 2 1 333.520 2.846 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484374 1312636485 /nfs/dbraw/zinc/63/64/85/1312636485.db2.gz CTZSCXPSLVYNOL-IAGOWNOFSA-N 2 1 344.503 2.991 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857522 1314425717 /nfs/dbraw/zinc/42/57/17/1314425717.db2.gz OEHFAUICHJJFOA-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001211307043 1314472865 /nfs/dbraw/zinc/47/28/65/1314472865.db2.gz MZUPYSSMHOTEER-HTJOGQSXSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955318 1314515743 /nfs/dbraw/zinc/51/57/43/1314515743.db2.gz CXKPWASYAVQZJX-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955318 1314515745 /nfs/dbraw/zinc/51/57/45/1314515745.db2.gz CXKPWASYAVQZJX-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955318 1314515749 /nfs/dbraw/zinc/51/57/49/1314515749.db2.gz CXKPWASYAVQZJX-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967626 1314526272 /nfs/dbraw/zinc/52/62/72/1314526272.db2.gz KWMBQXPPZTZRJM-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CCC)CC2)C1 ZINC001052990556 1314546644 /nfs/dbraw/zinc/54/66/44/1314546644.db2.gz FHIWJBXPMVSZFO-KDURUIRLSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CCC)CC2)C1 ZINC001052990556 1314546649 /nfs/dbraw/zinc/54/66/49/1314546649.db2.gz FHIWJBXPMVSZFO-KDURUIRLSA-N 2 1 345.531 2.892 20 30 EFEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001245989515 1314560620 /nfs/dbraw/zinc/56/06/20/1314560620.db2.gz WYXWITQTDSDVCW-GBESFXJTSA-N 2 1 326.525 2.989 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030802 1314570179 /nfs/dbraw/zinc/57/01/79/1314570179.db2.gz YXKYVASPYCESTH-RTBURBONSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030802 1314570180 /nfs/dbraw/zinc/57/01/80/1314570180.db2.gz YXKYVASPYCESTH-RTBURBONSA-N 2 1 325.541 2.515 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246046941 1314573007 /nfs/dbraw/zinc/57/30/07/1314573007.db2.gz UPDAQTPXIQHQEH-MOPGFXCFSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246046941 1314573011 /nfs/dbraw/zinc/57/30/11/1314573011.db2.gz UPDAQTPXIQHQEH-MOPGFXCFSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246048154 1314573574 /nfs/dbraw/zinc/57/35/74/1314573574.db2.gz YCUCFUGGEYSOSP-VQTJNVASSA-N 2 1 346.421 2.884 20 30 EFEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246048154 1314573579 /nfs/dbraw/zinc/57/35/79/1314573579.db2.gz YCUCFUGGEYSOSP-VQTJNVASSA-N 2 1 346.421 2.884 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001246049698 1314574095 /nfs/dbraw/zinc/57/40/95/1314574095.db2.gz SLXXNHNXJUAHLT-IBGZPJMESA-N 2 1 327.557 2.715 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027852 1314597916 /nfs/dbraw/zinc/59/79/16/1314597916.db2.gz IDGZCDOXMQFSDS-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001278436784 1314599544 /nfs/dbraw/zinc/59/95/44/1314599544.db2.gz VJRWSPVDILOTNZ-UHFFFAOYSA-N 2 1 348.494 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030721 1314605366 /nfs/dbraw/zinc/60/53/66/1314605366.db2.gz GUVBCMBANFIBJO-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030949 1314605524 /nfs/dbraw/zinc/60/55/24/1314605524.db2.gz IAKAKJBITZBWFJ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030949 1314605528 /nfs/dbraw/zinc/60/55/28/1314605528.db2.gz IAKAKJBITZBWFJ-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP CCCCCCCCN(CC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246307705 1314608298 /nfs/dbraw/zinc/60/82/98/1314608298.db2.gz NSAXTTDWOFTTQI-IRXDYDNUSA-N 2 1 341.540 2.680 20 30 EFEDMP CCCCCCCCOC(=O)C[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246307544 1314608629 /nfs/dbraw/zinc/60/86/29/1314608629.db2.gz DMGASIAXFUNLRZ-UHFFFAOYSA-N 2 1 340.508 2.781 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CC[C@H](C)[NH2+]C3)cc(C#N)c21 ZINC001246330362 1314610699 /nfs/dbraw/zinc/61/06/99/1314610699.db2.gz YFUFUHNUTWBYSG-NJSLBKSFSA-N 2 1 338.455 2.834 20 30 EFEDMP N#CCC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246399945 1314623934 /nfs/dbraw/zinc/62/39/34/1314623934.db2.gz CBCYYRUKOLRYBQ-KVZIAJEVSA-N 2 1 343.471 2.899 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043750 1314626356 /nfs/dbraw/zinc/62/63/56/1314626356.db2.gz YYRKJTGSVWDELT-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043753 1314626426 /nfs/dbraw/zinc/62/64/26/1314626426.db2.gz YYRKJTGSVWDELT-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444875 1314629710 /nfs/dbraw/zinc/62/97/10/1314629710.db2.gz ZIOJRCLQVXXERG-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047041 1314631727 /nfs/dbraw/zinc/63/17/27/1314631727.db2.gz OZDCVVIYWTVHEY-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052310 1314640398 /nfs/dbraw/zinc/64/03/98/1314640398.db2.gz UMAINXFRWWVDJL-OALUTQOASA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)C1 ZINC001246528436 1314642211 /nfs/dbraw/zinc/64/22/11/1314642211.db2.gz XNJGNXLEGXCHOG-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246524818 1314642265 /nfs/dbraw/zinc/64/22/65/1314642265.db2.gz HWKYBUFRTFUNSE-DLBZAZTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCCC[NH2+]C1)CC2 ZINC001246525180 1314642440 /nfs/dbraw/zinc/64/24/40/1314642440.db2.gz IJKCXESBHDEZLO-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053124 1314642745 /nfs/dbraw/zinc/64/27/45/1314642745.db2.gz YWVJQBJDZMXYSO-MOPGFXCFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054019 1314643630 /nfs/dbraw/zinc/64/36/30/1314643630.db2.gz GJVRUZCKHUWCSD-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054019 1314643635 /nfs/dbraw/zinc/64/36/35/1314643635.db2.gz GJVRUZCKHUWCSD-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053949 1314643650 /nfs/dbraw/zinc/64/36/50/1314643650.db2.gz FNPIIUONXXGASF-PMACEKPBSA-N 2 1 347.547 2.999 20 30 EFEDMP CCCCCCCC[C@H](CC)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246631397 1314661640 /nfs/dbraw/zinc/66/16/40/1314661640.db2.gz XDXVFQTVUGMRFO-FXAWDEMLSA-N 2 1 335.536 2.927 20 30 EFEDMP CCCCCCCCC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823680 1314690606 /nfs/dbraw/zinc/69/06/06/1314690606.db2.gz VZYRHWDFMVYGOL-IBGZPJMESA-N 2 1 326.573 2.600 20 30 EFEDMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889538 1314704124 /nfs/dbraw/zinc/70/41/24/1314704124.db2.gz FEWJIINUKGRUFQ-RTBURBONSA-N 2 1 326.488 2.847 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108097 1314732994 /nfs/dbraw/zinc/73/29/94/1314732994.db2.gz PEFWGEQJNMXHHI-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162072 1314792072 /nfs/dbraw/zinc/79/20/72/1314792072.db2.gz IMJSWDIXXNSXNN-JFIYKMOQSA-N 2 1 344.503 2.553 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401017729 1314792506 /nfs/dbraw/zinc/79/25/06/1314792506.db2.gz JJCAXCRCMUHNBJ-FGTMMUONSA-N 2 1 349.519 2.567 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401017729 1314792510 /nfs/dbraw/zinc/79/25/10/1314792510.db2.gz JJCAXCRCMUHNBJ-FGTMMUONSA-N 2 1 349.519 2.567 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987954 1315028600 /nfs/dbraw/zinc/02/86/00/1315028600.db2.gz MRNVAOHPVKHEKS-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987954 1315028603 /nfs/dbraw/zinc/02/86/03/1315028603.db2.gz MRNVAOHPVKHEKS-WSTZPKSXSA-N 2 1 343.515 2.910 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038624004 1315048582 /nfs/dbraw/zinc/04/85/82/1315048582.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624004 1315048586 /nfs/dbraw/zinc/04/85/86/1315048586.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624004 1315048591 /nfs/dbraw/zinc/04/85/91/1315048591.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217933996 1315122196 /nfs/dbraw/zinc/12/21/96/1315122196.db2.gz QVOKXGPYKFOXLE-VAMGGRTRSA-N 2 1 330.472 2.601 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217933996 1315122201 /nfs/dbraw/zinc/12/22/01/1315122201.db2.gz QVOKXGPYKFOXLE-VAMGGRTRSA-N 2 1 330.472 2.601 20 30 EFEDMP CC[C@]1(c2cccc(O[C@H]3C[NH2+]C[C@H]3C#N)c2)CCCC[N@@H+](C)C1 ZINC001218205230 1315163549 /nfs/dbraw/zinc/16/35/49/1315163549.db2.gz YBIMSNKITOSREG-UXPWSPDFSA-N 2 1 327.472 2.940 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218205670 1315164238 /nfs/dbraw/zinc/16/42/38/1315164238.db2.gz GQEOSFAPYBKOBD-OAHLLOKOSA-N 2 1 325.250 2.808 20 30 EFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054035779 1315198450 /nfs/dbraw/zinc/19/84/50/1315198450.db2.gz UVTUUNPZTPUTOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035779 1315198454 /nfs/dbraw/zinc/19/84/54/1315198454.db2.gz UVTUUNPZTPUTOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035779 1315198457 /nfs/dbraw/zinc/19/84/57/1315198457.db2.gz UVTUUNPZTPUTOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054044793 1315214322 /nfs/dbraw/zinc/21/43/22/1315214322.db2.gz DDLIBWPVVUSKOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054044793 1315214327 /nfs/dbraw/zinc/21/43/27/1315214327.db2.gz DDLIBWPVVUSKOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044793 1315214331 /nfs/dbraw/zinc/21/43/31/1315214331.db2.gz DDLIBWPVVUSKOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044793 1315214335 /nfs/dbraw/zinc/21/43/35/1315214335.db2.gz DDLIBWPVVUSKOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145575 1315365633 /nfs/dbraw/zinc/36/56/33/1315365633.db2.gz SESYWVYHMUFREJ-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145575 1315365638 /nfs/dbraw/zinc/36/56/38/1315365638.db2.gz SESYWVYHMUFREJ-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145575 1315365644 /nfs/dbraw/zinc/36/56/44/1315365644.db2.gz SESYWVYHMUFREJ-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158619 1315386205 /nfs/dbraw/zinc/38/62/05/1315386205.db2.gz NTVUKXOZRSKNMI-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158619 1315386208 /nfs/dbraw/zinc/38/62/08/1315386208.db2.gz NTVUKXOZRSKNMI-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158619 1315386211 /nfs/dbraw/zinc/38/62/11/1315386211.db2.gz NTVUKXOZRSKNMI-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160051 1315388442 /nfs/dbraw/zinc/38/84/42/1315388442.db2.gz UEVBQYJHSMTAIM-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169916 1315403738 /nfs/dbraw/zinc/40/37/38/1315403738.db2.gz AOJPTOWMWGEWPE-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174402 1315409780 /nfs/dbraw/zinc/40/97/80/1315409780.db2.gz OMCPUQGXBSFLOK-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183117 1315423518 /nfs/dbraw/zinc/42/35/18/1315423518.db2.gz YJKMOBUXOXQSIA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183117 1315423523 /nfs/dbraw/zinc/42/35/23/1315423523.db2.gz YJKMOBUXOXQSIA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183117 1315423529 /nfs/dbraw/zinc/42/35/29/1315423529.db2.gz YJKMOBUXOXQSIA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185160 1315425746 /nfs/dbraw/zinc/42/57/46/1315425746.db2.gz VDUWPUCHOYVHOS-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185160 1315425750 /nfs/dbraw/zinc/42/57/50/1315425750.db2.gz VDUWPUCHOYVHOS-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185160 1315425753 /nfs/dbraw/zinc/42/57/53/1315425753.db2.gz VDUWPUCHOYVHOS-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190474 1315431404 /nfs/dbraw/zinc/43/14/04/1315431404.db2.gz KINQAPUNHDAPLU-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197470 1315440939 /nfs/dbraw/zinc/44/09/39/1315440939.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197470 1315440944 /nfs/dbraw/zinc/44/09/44/1315440944.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197470 1315440947 /nfs/dbraw/zinc/44/09/47/1315440947.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209121 1315459478 /nfs/dbraw/zinc/45/94/78/1315459478.db2.gz JQZDDFKLUBSNBZ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209121 1315459481 /nfs/dbraw/zinc/45/94/81/1315459481.db2.gz JQZDDFKLUBSNBZ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209884 1315461634 /nfs/dbraw/zinc/46/16/34/1315461634.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209884 1315461638 /nfs/dbraw/zinc/46/16/38/1315461638.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209884 1315461642 /nfs/dbraw/zinc/46/16/42/1315461642.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209784 1315461707 /nfs/dbraw/zinc/46/17/07/1315461707.db2.gz XQWISWGEXZPNQK-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209719 1315462090 /nfs/dbraw/zinc/46/20/90/1315462090.db2.gz WDNIRJAVHTWBTR-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001252553238 1315467801 /nfs/dbraw/zinc/46/78/01/1315467801.db2.gz UYBXMAASWLRXBZ-IBGZPJMESA-N 2 1 329.488 2.695 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219695 1315476299 /nfs/dbraw/zinc/47/62/99/1315476299.db2.gz SUHMCIXHKFPHCX-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227624 1315487772 /nfs/dbraw/zinc/48/77/72/1315487772.db2.gz JCBSFKREHZDJLU-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227624 1315487774 /nfs/dbraw/zinc/48/77/74/1315487774.db2.gz JCBSFKREHZDJLU-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243740 1315514435 /nfs/dbraw/zinc/51/44/35/1315514435.db2.gz NDVCZDQKYFLGLL-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039134490 1315518689 /nfs/dbraw/zinc/51/86/89/1315518689.db2.gz QPTUGYPOEDVBOA-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134490 1315518691 /nfs/dbraw/zinc/51/86/91/1315518691.db2.gz QPTUGYPOEDVBOA-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134490 1315518695 /nfs/dbraw/zinc/51/86/95/1315518695.db2.gz QPTUGYPOEDVBOA-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134859 1315519131 /nfs/dbraw/zinc/51/91/31/1315519131.db2.gz TXNPUAPWYOVBMZ-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134551 1315519152 /nfs/dbraw/zinc/51/91/52/1315519152.db2.gz RWYBTVHGJYGEAC-QZTJIDSGSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134551 1315519153 /nfs/dbraw/zinc/51/91/53/1315519153.db2.gz RWYBTVHGJYGEAC-QZTJIDSGSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039136401 1315521933 /nfs/dbraw/zinc/52/19/33/1315521933.db2.gz JOUXJMZUDLUXAG-PMACEKPBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136401 1315521936 /nfs/dbraw/zinc/52/19/36/1315521936.db2.gz JOUXJMZUDLUXAG-PMACEKPBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136401 1315521939 /nfs/dbraw/zinc/52/19/39/1315521939.db2.gz JOUXJMZUDLUXAG-PMACEKPBSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136565 1315522686 /nfs/dbraw/zinc/52/26/86/1315522686.db2.gz AFCHPUMLLFFOLH-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136565 1315522689 /nfs/dbraw/zinc/52/26/89/1315522689.db2.gz AFCHPUMLLFFOLH-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136565 1315522694 /nfs/dbraw/zinc/52/26/94/1315522694.db2.gz AFCHPUMLLFFOLH-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140907 1315529548 /nfs/dbraw/zinc/52/95/48/1315529548.db2.gz KOECVJLVUVPEFD-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140907 1315529553 /nfs/dbraw/zinc/52/95/53/1315529553.db2.gz KOECVJLVUVPEFD-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140907 1315529558 /nfs/dbraw/zinc/52/95/58/1315529558.db2.gz KOECVJLVUVPEFD-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039154820 1315550549 /nfs/dbraw/zinc/55/05/49/1315550549.db2.gz HHMKJYQTUMOHFO-KRWDZBQOSA-N 2 1 345.487 2.701 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557413 1315552011 /nfs/dbraw/zinc/55/20/11/1315552011.db2.gz FFKOUEWIRJHAET-VAMGGRTRSA-N 2 1 347.547 2.831 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560823 1315552141 /nfs/dbraw/zinc/55/21/41/1315552141.db2.gz JNTKBWMNYMBYRL-RCCFBDPRSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560823 1315552146 /nfs/dbraw/zinc/55/21/46/1315552146.db2.gz JNTKBWMNYMBYRL-RCCFBDPRSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565356 /nfs/dbraw/zinc/56/53/56/1315565356.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565360 /nfs/dbraw/zinc/56/53/60/1315565360.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565363 /nfs/dbraw/zinc/56/53/63/1315565363.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167663 1315569293 /nfs/dbraw/zinc/56/92/93/1315569293.db2.gz ZTBLHFXOVRTBEG-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168322 1315571095 /nfs/dbraw/zinc/57/10/95/1315571095.db2.gz TZRBSQZHTNLRJF-FQEVSTJZSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657268 1315571537 /nfs/dbraw/zinc/57/15/37/1315571537.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657268 1315571540 /nfs/dbraw/zinc/57/15/40/1315571540.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657268 1315571543 /nfs/dbraw/zinc/57/15/43/1315571543.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172984 1315576921 /nfs/dbraw/zinc/57/69/21/1315576921.db2.gz KKTNINSNNHWCLB-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172984 1315576923 /nfs/dbraw/zinc/57/69/23/1315576923.db2.gz KKTNINSNNHWCLB-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001039173590 1315578328 /nfs/dbraw/zinc/57/83/28/1315578328.db2.gz ABRGVKZTESDSFD-KRWDZBQOSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179925 1315586654 /nfs/dbraw/zinc/58/66/54/1315586654.db2.gz JDJJSSBVPFICPC-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219340 1315639456 /nfs/dbraw/zinc/63/94/56/1315639456.db2.gz SHGLUONULKPCFD-PKOBYXMFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228593 1315650299 /nfs/dbraw/zinc/65/02/99/1315650299.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228593 1315650301 /nfs/dbraw/zinc/65/03/01/1315650301.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228593 1315650306 /nfs/dbraw/zinc/65/03/06/1315650306.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228595 1315651041 /nfs/dbraw/zinc/65/10/41/1315651041.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228595 1315651044 /nfs/dbraw/zinc/65/10/44/1315651044.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228595 1315651046 /nfs/dbraw/zinc/65/10/46/1315651046.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235514 1315659784 /nfs/dbraw/zinc/65/97/84/1315659784.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235514 1315659787 /nfs/dbraw/zinc/65/97/87/1315659787.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235514 1315659789 /nfs/dbraw/zinc/65/97/89/1315659789.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236349 1315660423 /nfs/dbraw/zinc/66/04/23/1315660423.db2.gz ZHUKSVDNPOBZNE-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236862 1315661456 /nfs/dbraw/zinc/66/14/56/1315661456.db2.gz FVVJWAXJRJOLBO-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239936 1315666444 /nfs/dbraw/zinc/66/64/44/1315666444.db2.gz SKJFMQDKACPBSS-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243832 1315672528 /nfs/dbraw/zinc/67/25/28/1315672528.db2.gz WMCSSRCCGQXAKK-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244838 1315673668 /nfs/dbraw/zinc/67/36/68/1315673668.db2.gz ZDSXMLXEKRTDIF-PMACEKPBSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250167 1315681402 /nfs/dbraw/zinc/68/14/02/1315681402.db2.gz JGPOILWHRMDXFW-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039282179 1315700554 /nfs/dbraw/zinc/70/05/54/1315700554.db2.gz FPCDDDQVEPCIFT-IPQPSQTFSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039288841 1315703226 /nfs/dbraw/zinc/70/32/26/1315703226.db2.gz IYYSVTMYZWXHDZ-HRVKUGKESA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001001538 1315704049 /nfs/dbraw/zinc/70/40/49/1315704049.db2.gz LAMVLBFRHPSIQC-UHFFFAOYSA-N 2 1 341.499 2.729 20 30 EFEDMP C[N@H+]1CCC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254506808 1315711174 /nfs/dbraw/zinc/71/11/74/1315711174.db2.gz ARYFWVYHYLWVDL-IBGZPJMESA-N 2 1 326.488 2.619 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001522409 1315735445 /nfs/dbraw/zinc/73/54/45/1315735445.db2.gz MTUYUZMMXMQTEI-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406265 1315770672 /nfs/dbraw/zinc/77/06/72/1315770672.db2.gz MIRYSIXJAUHXCD-MJGOQNOKSA-N 2 1 338.455 2.979 20 30 EFEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255110071 1315776825 /nfs/dbraw/zinc/77/68/25/1315776825.db2.gz YUKQGGYHWIRAJG-OAQYLSRUSA-N 3 1 336.483 2.928 20 30 EFEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255110071 1315776826 /nfs/dbraw/zinc/77/68/26/1315776826.db2.gz YUKQGGYHWIRAJG-OAQYLSRUSA-N 2 1 336.483 2.928 20 30 EFEDMP C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125958 1315779524 /nfs/dbraw/zinc/77/95/24/1315779524.db2.gz IQKNKPBMLAQMQU-LDLYASANSA-N 2 1 328.456 2.891 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424833 1315783583 /nfs/dbraw/zinc/78/35/83/1315783583.db2.gz IJZKIGKQSOXGOU-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424833 1315783587 /nfs/dbraw/zinc/78/35/87/1315783587.db2.gz IJZKIGKQSOXGOU-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424833 1315783590 /nfs/dbraw/zinc/78/35/90/1315783590.db2.gz IJZKIGKQSOXGOU-OKYOBFRVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001039437452 1315791291 /nfs/dbraw/zinc/79/12/91/1315791291.db2.gz LLSWMADTDRHWFF-UXHICEINSA-N 2 1 341.499 2.656 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039448057 1315797421 /nfs/dbraw/zinc/79/74/21/1315797421.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448057 1315797423 /nfs/dbraw/zinc/79/74/23/1315797423.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448057 1315797426 /nfs/dbraw/zinc/79/74/26/1315797426.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447805 1315797659 /nfs/dbraw/zinc/79/76/59/1315797659.db2.gz KPVDRYWSDKUKHW-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP [NH2+]=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC001255385308 1315814330 /nfs/dbraw/zinc/81/43/30/1315814330.db2.gz GDVKGCMSLPGZJN-KRWDZBQOSA-N 2 1 326.419 2.981 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474473 1315817417 /nfs/dbraw/zinc/81/74/17/1315817417.db2.gz KBKCKALTTPJXAS-HSALFYBXSA-N 2 1 345.531 2.586 20 30 EFEDMP CN1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477909 1315828350 /nfs/dbraw/zinc/82/83/50/1315828350.db2.gz QINYLYQXDSRMEO-VAMGGRTRSA-N 2 1 326.488 2.724 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001255677928 1315856489 /nfs/dbraw/zinc/85/64/89/1315856489.db2.gz QVQPKEHVKGXFOO-WMWLNJEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001255677928 1315856493 /nfs/dbraw/zinc/85/64/93/1315856493.db2.gz QVQPKEHVKGXFOO-WMWLNJEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255677928 1315856496 /nfs/dbraw/zinc/85/64/96/1315856496.db2.gz QVQPKEHVKGXFOO-WMWLNJEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255677928 1315856499 /nfs/dbraw/zinc/85/64/99/1315856499.db2.gz QVQPKEHVKGXFOO-WMWLNJEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255679110 1315857317 /nfs/dbraw/zinc/85/73/17/1315857317.db2.gz RQMODGUNGALAJI-RZRMAFQFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255679110 1315857320 /nfs/dbraw/zinc/85/73/20/1315857320.db2.gz RQMODGUNGALAJI-RZRMAFQFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255679110 1315857323 /nfs/dbraw/zinc/85/73/23/1315857323.db2.gz RQMODGUNGALAJI-RZRMAFQFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255679110 1315857327 /nfs/dbraw/zinc/85/73/27/1315857327.db2.gz RQMODGUNGALAJI-RZRMAFQFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H](C)CC[NH+](CC)CC)C2)CC1 ZINC001255957422 1315884797 /nfs/dbraw/zinc/88/47/97/1315884797.db2.gz RTUJWKOKFLZNMK-KRWDZBQOSA-N 2 1 337.508 2.827 20 30 EFEDMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255963379 1315886441 /nfs/dbraw/zinc/88/64/41/1315886441.db2.gz HDXKCXCKBKNZTD-QGZVFWFLSA-N 2 1 329.492 2.586 20 30 EFEDMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255963379 1315886444 /nfs/dbraw/zinc/88/64/44/1315886444.db2.gz HDXKCXCKBKNZTD-QGZVFWFLSA-N 2 1 329.492 2.586 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256964067 1316015119 /nfs/dbraw/zinc/01/51/19/1316015119.db2.gz PYFWSHFELNMACA-LXPRWKDFSA-N 2 1 347.503 2.808 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256964067 1316015122 /nfs/dbraw/zinc/01/51/22/1316015122.db2.gz PYFWSHFELNMACA-LXPRWKDFSA-N 2 1 347.503 2.808 20 30 EFEDMP N#Cc1ccc(C2CCC(N3CC[NH+](CCCC[NH3+])CC3)CC2)cc1 ZINC001257015886 1316021705 /nfs/dbraw/zinc/02/17/05/1316021705.db2.gz QWLCPZWDYZUDLE-UHFFFAOYSA-N 2 1 340.515 2.941 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257216542 1316047457 /nfs/dbraw/zinc/04/74/57/1316047457.db2.gz HTRFLXNYPDQTKY-HXUWFJFHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257216542 1316047459 /nfs/dbraw/zinc/04/74/59/1316047459.db2.gz HTRFLXNYPDQTKY-HXUWFJFHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229612 1316153626 /nfs/dbraw/zinc/15/36/26/1316153626.db2.gz UTGGPZWDNAZUII-IBGZPJMESA-N 2 1 347.528 2.924 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233368 1316156839 /nfs/dbraw/zinc/15/68/39/1316156839.db2.gz ZCBHCMZWRWWAIX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233368 1316156841 /nfs/dbraw/zinc/15/68/41/1316156841.db2.gz ZCBHCMZWRWWAIX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233368 1316156844 /nfs/dbraw/zinc/15/68/44/1316156844.db2.gz ZCBHCMZWRWWAIX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040241137 1316160394 /nfs/dbraw/zinc/16/03/94/1316160394.db2.gz MFFHNZOJRBEWED-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241137 1316160397 /nfs/dbraw/zinc/16/03/97/1316160397.db2.gz MFFHNZOJRBEWED-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241137 1316160398 /nfs/dbraw/zinc/16/03/98/1316160398.db2.gz MFFHNZOJRBEWED-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240773 1316160404 /nfs/dbraw/zinc/16/04/04/1316160404.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240773 1316160406 /nfs/dbraw/zinc/16/04/06/1316160406.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240773 1316160409 /nfs/dbraw/zinc/16/04/09/1316160409.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240855 1316160665 /nfs/dbraw/zinc/16/06/65/1316160665.db2.gz KACNOSAEDALYEE-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240855 1316160668 /nfs/dbraw/zinc/16/06/68/1316160668.db2.gz KACNOSAEDALYEE-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240855 1316160670 /nfs/dbraw/zinc/16/06/70/1316160670.db2.gz KACNOSAEDALYEE-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040241141 1316160818 /nfs/dbraw/zinc/16/08/18/1316160818.db2.gz MFFHNZOJRBEWED-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241141 1316160820 /nfs/dbraw/zinc/16/08/20/1316160820.db2.gz MFFHNZOJRBEWED-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241141 1316160821 /nfs/dbraw/zinc/16/08/21/1316160821.db2.gz MFFHNZOJRBEWED-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241308 1316161255 /nfs/dbraw/zinc/16/12/55/1316161255.db2.gz NEEBJIKMLARJPA-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241308 1316161256 /nfs/dbraw/zinc/16/12/56/1316161256.db2.gz NEEBJIKMLARJPA-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241308 1316161258 /nfs/dbraw/zinc/16/12/58/1316161258.db2.gz NEEBJIKMLARJPA-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242522 1316162221 /nfs/dbraw/zinc/16/22/21/1316162221.db2.gz YQFUDPCOASZIGG-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040264740 1316173676 /nfs/dbraw/zinc/17/36/76/1316173676.db2.gz QWETZEFYGTVOBN-FQEVSTJZSA-N 2 1 336.439 2.514 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264575 1316173835 /nfs/dbraw/zinc/17/38/35/1316173835.db2.gz PQUGKGTVNPTCEV-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264575 1316173837 /nfs/dbraw/zinc/17/38/37/1316173837.db2.gz PQUGKGTVNPTCEV-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264575 1316173839 /nfs/dbraw/zinc/17/38/39/1316173839.db2.gz PQUGKGTVNPTCEV-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258728921 1316173948 /nfs/dbraw/zinc/17/39/48/1316173948.db2.gz RRAWZIJMMAZCJX-BHIYHBOVSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730307 1316174332 /nfs/dbraw/zinc/17/43/32/1316174332.db2.gz DQOBYYCXWSSWMV-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730307 1316174335 /nfs/dbraw/zinc/17/43/35/1316174335.db2.gz DQOBYYCXWSSWMV-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730307 1316174338 /nfs/dbraw/zinc/17/43/38/1316174338.db2.gz DQOBYYCXWSSWMV-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CCC)CC1)CC2 ZINC001258773309 1316176590 /nfs/dbraw/zinc/17/65/90/1316176590.db2.gz GQEFTHOSIYNRKJ-FQEVSTJZSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279958 1316180566 /nfs/dbraw/zinc/18/05/66/1316180566.db2.gz BNLLNWGRCBSFJJ-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347426 1316213839 /nfs/dbraw/zinc/21/38/39/1316213839.db2.gz KXDLHXUGKJLJSD-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347426 1316213841 /nfs/dbraw/zinc/21/38/41/1316213841.db2.gz KXDLHXUGKJLJSD-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347426 1316213844 /nfs/dbraw/zinc/21/38/44/1316213844.db2.gz KXDLHXUGKJLJSD-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040378729 1316230137 /nfs/dbraw/zinc/23/01/37/1316230137.db2.gz GKQQMADULMFBGG-QUCCMNQESA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430892 1316260802 /nfs/dbraw/zinc/26/08/02/1316260802.db2.gz DKRXIQJLFZTSNN-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433250 1316263271 /nfs/dbraw/zinc/26/32/71/1316263271.db2.gz VCCJJENGBATMEM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040476890 1316284903 /nfs/dbraw/zinc/28/49/03/1316284903.db2.gz AKAUEFUSKUDHRO-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480085 1316287166 /nfs/dbraw/zinc/28/71/66/1316287166.db2.gz RMZJEYBPNYCQJK-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487715 1316289213 /nfs/dbraw/zinc/28/92/13/1316289213.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487715 1316289216 /nfs/dbraw/zinc/28/92/16/1316289216.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487715 1316289218 /nfs/dbraw/zinc/28/92/18/1316289218.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040489317 1316290113 /nfs/dbraw/zinc/29/01/13/1316290113.db2.gz OFIDSCWOFSMLGF-NRFANRHFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040489318 1316290482 /nfs/dbraw/zinc/29/04/82/1316290482.db2.gz OFIDSCWOFSMLGF-OAQYLSRUSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492683 1316292120 /nfs/dbraw/zinc/29/21/20/1316292120.db2.gz DFKZHAVUFNJSPS-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492683 1316292123 /nfs/dbraw/zinc/29/21/23/1316292123.db2.gz DFKZHAVUFNJSPS-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492683 1316292125 /nfs/dbraw/zinc/29/21/25/1316292125.db2.gz DFKZHAVUFNJSPS-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544783 1316316415 /nfs/dbraw/zinc/31/64/15/1316316415.db2.gz ZXYLQUXJNJNHGA-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040701381 1316354662 /nfs/dbraw/zinc/35/46/62/1316354662.db2.gz JHVPGFHWOQGTGJ-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702250 1316355081 /nfs/dbraw/zinc/35/50/81/1316355081.db2.gz SPXQXGMJNNEYCQ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727095 1316361641 /nfs/dbraw/zinc/36/16/41/1316361641.db2.gz OFYXQBMVVXYIDD-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733195 1316362995 /nfs/dbraw/zinc/36/29/95/1316362995.db2.gz QEJREQZTTUPOHC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874124 1316394126 /nfs/dbraw/zinc/39/41/26/1316394126.db2.gz CTFFSELEWIWCOV-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738380 1316410756 /nfs/dbraw/zinc/41/07/56/1316410756.db2.gz RESKNTHRDCYYRL-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738380 1316410758 /nfs/dbraw/zinc/41/07/58/1316410758.db2.gz RESKNTHRDCYYRL-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738380 1316410761 /nfs/dbraw/zinc/41/07/61/1316410761.db2.gz RESKNTHRDCYYRL-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285694 1316502462 /nfs/dbraw/zinc/50/24/62/1316502462.db2.gz GJWIHWJHOSDIBH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301533 1316506804 /nfs/dbraw/zinc/50/68/04/1316506804.db2.gz NGRRYQZMAACWJA-VQIMIIECSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301533 1316506807 /nfs/dbraw/zinc/50/68/07/1316506807.db2.gz NGRRYQZMAACWJA-VQIMIIECSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCN(CC)[C@H](C)C1 ZINC001263341431 1316534200 /nfs/dbraw/zinc/53/42/00/1316534200.db2.gz NRGQEJCNEQXIAP-SJORKVTESA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605860 1316617619 /nfs/dbraw/zinc/61/76/19/1316617619.db2.gz NLOBMYWTGQULMD-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724330 1316666129 /nfs/dbraw/zinc/66/61/29/1316666129.db2.gz VFLJFLJIFARHJQ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724330 1316666132 /nfs/dbraw/zinc/66/61/32/1316666132.db2.gz VFLJFLJIFARHJQ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724848 1316667072 /nfs/dbraw/zinc/66/70/72/1316667072.db2.gz GMMIZMXLTBDBTM-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725147 1316668084 /nfs/dbraw/zinc/66/80/84/1316668084.db2.gz KSWIGRHCUAWLSE-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782551 1316696358 /nfs/dbraw/zinc/69/63/58/1316696358.db2.gz AHEIERSTKIVWRY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782551 1316696360 /nfs/dbraw/zinc/69/63/60/1316696360.db2.gz AHEIERSTKIVWRY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782551 1316696361 /nfs/dbraw/zinc/69/63/61/1316696361.db2.gz AHEIERSTKIVWRY-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782234 1316696731 /nfs/dbraw/zinc/69/67/31/1316696731.db2.gz TWJWABNYUBZNSF-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782234 1316696733 /nfs/dbraw/zinc/69/67/33/1316696733.db2.gz TWJWABNYUBZNSF-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782234 1316696735 /nfs/dbraw/zinc/69/67/35/1316696735.db2.gz TWJWABNYUBZNSF-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844649 1316730892 /nfs/dbraw/zinc/73/08/92/1316730892.db2.gz BUVRFOVDQZTVKW-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846061 1316732124 /nfs/dbraw/zinc/73/21/24/1316732124.db2.gz WJVOEVGTXBPNKN-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845575 1316732207 /nfs/dbraw/zinc/73/22/07/1316732207.db2.gz IRXLTMBXYXDNNB-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845971 1316732402 /nfs/dbraw/zinc/73/24/02/1316732402.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845971 1316732403 /nfs/dbraw/zinc/73/24/03/1316732403.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845971 1316732404 /nfs/dbraw/zinc/73/24/04/1316732404.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847132 1316732953 /nfs/dbraw/zinc/73/29/53/1316732953.db2.gz JHEYONFZVMXIRV-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847132 1316732956 /nfs/dbraw/zinc/73/29/56/1316732956.db2.gz JHEYONFZVMXIRV-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062888 1316852946 /nfs/dbraw/zinc/85/29/46/1316852946.db2.gz PCJJOGMYQNGHTN-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896688 /nfs/dbraw/zinc/89/66/88/1316896688.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896690 /nfs/dbraw/zinc/89/66/90/1316896690.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896693 /nfs/dbraw/zinc/89/66/93/1316896693.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156433 1316916980 /nfs/dbraw/zinc/91/69/80/1316916980.db2.gz IVIWSRQTSMEUGO-PBHICJAKSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156433 1316916982 /nfs/dbraw/zinc/91/69/82/1316916982.db2.gz IVIWSRQTSMEUGO-PBHICJAKSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156435 1316917302 /nfs/dbraw/zinc/91/73/02/1316917302.db2.gz IVIWSRQTSMEUGO-WMLDXEAASA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156435 1316917305 /nfs/dbraw/zinc/91/73/05/1316917305.db2.gz IVIWSRQTSMEUGO-WMLDXEAASA-N 2 1 344.846 2.623 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234205 1316997899 /nfs/dbraw/zinc/99/78/99/1316997899.db2.gz LBJHJQMQLLXYMC-AZUAARDMSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254086 1317040817 /nfs/dbraw/zinc/04/08/17/1317040817.db2.gz ZJWBBILLASKHJU-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254086 1317040824 /nfs/dbraw/zinc/04/08/24/1317040824.db2.gz ZJWBBILLASKHJU-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042257049 1317044120 /nfs/dbraw/zinc/04/41/20/1317044120.db2.gz CPNNVCDPZOMHAD-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042257049 1317044124 /nfs/dbraw/zinc/04/41/24/1317044124.db2.gz CPNNVCDPZOMHAD-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308376 1317128605 /nfs/dbraw/zinc/12/86/05/1317128605.db2.gz UWIBGHLQKHNCQE-AZUAARDMSA-N 2 1 345.531 2.607 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204929 /nfs/dbraw/zinc/20/49/29/1317204929.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204934 /nfs/dbraw/zinc/20/49/34/1317204934.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204941 /nfs/dbraw/zinc/20/49/41/1317204941.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365842 1317217691 /nfs/dbraw/zinc/21/76/91/1317217691.db2.gz RCQXROJKQDCPAQ-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368127 1317222866 /nfs/dbraw/zinc/22/28/66/1317222866.db2.gz ODHCINKOBPYDJU-YLJYHZDGSA-N 2 1 341.499 2.861 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cc(C)nn4C)C3)CC2)c1 ZINC001279301763 1317230320 /nfs/dbraw/zinc/23/03/20/1317230320.db2.gz MZFFOWNSSWQMQS-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP Cc1cccnc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279380215 1317250697 /nfs/dbraw/zinc/25/06/97/1317250697.db2.gz RWRZMXWFLCVVMJ-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)cc[nH+]1 ZINC001279785043 1317385886 /nfs/dbraw/zinc/38/58/86/1317385886.db2.gz BRMBYKBZXWJMBP-KDURUIRLSA-N 2 1 349.482 2.949 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001323636276 1329556441 /nfs/dbraw/zinc/55/64/41/1329556441.db2.gz BWTBSVQJAMXFKB-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001338385208 1331701773 /nfs/dbraw/zinc/70/17/73/1331701773.db2.gz XLCJAJBTRPUGTF-SJORKVTESA-N 2 1 338.540 2.620 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001495963168 1332197972 /nfs/dbraw/zinc/19/79/72/1332197972.db2.gz DIQDJQPMVQISJL-OAHLLOKOSA-N 2 1 327.900 2.632 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001340881816 1332216881 /nfs/dbraw/zinc/21/68/81/1332216881.db2.gz TXSIRNWGPMBVGJ-YQQAZPJKSA-N 2 1 335.517 2.931 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751018 1333438576 /nfs/dbraw/zinc/43/85/76/1333438576.db2.gz GJOAZQQBYDBHDT-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756054 1333445724 /nfs/dbraw/zinc/44/57/24/1333445724.db2.gz DACMHSWRCYCVRW-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771260 1333464443 /nfs/dbraw/zinc/46/44/43/1333464443.db2.gz BWMYIXQSIMAOPH-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001831825 1333571645 /nfs/dbraw/zinc/57/16/45/1333571645.db2.gz AMJFKLIJCYTFDV-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002047121 1333988126 /nfs/dbraw/zinc/98/81/26/1333988126.db2.gz VPVVKIWDRSNBJC-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002047129 1333988162 /nfs/dbraw/zinc/98/81/62/1333988162.db2.gz VPVVKIWDRSNBJC-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643843 1334259941 /nfs/dbraw/zinc/25/99/41/1334259941.db2.gz FNYDSVBDECYORG-INIZCTEOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679977 1334559921 /nfs/dbraw/zinc/55/99/21/1334559921.db2.gz YSESEQHQKGAKAV-RJYAGPCLSA-N 2 1 339.499 2.650 20 30 EFEDMP C=CCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681884 1334564868 /nfs/dbraw/zinc/56/48/68/1334564868.db2.gz WHYOQNNULJXCSM-UHFFFAOYSA-N 2 1 343.515 2.612 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570787 1335316934 /nfs/dbraw/zinc/31/69/34/1335316934.db2.gz OZFKADNGEMVWAX-QRQLOZEOSA-N 2 1 329.488 2.697 20 30 EFEDMP CCCC[NH+]=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(C)cc1 ZINC000849108345 1335553113 /nfs/dbraw/zinc/55/31/13/1335553113.db2.gz GBORXCWTADFVFB-UHFFFAOYSA-N 2 1 346.519 2.553 20 30 EFEDMP CCCC[NH+]=C(NCC[N@H+]1CCCOCC1)NCc1ccc(C)cc1 ZINC000849108345 1335553115 /nfs/dbraw/zinc/55/31/15/1335553115.db2.gz GBORXCWTADFVFB-UHFFFAOYSA-N 2 1 346.519 2.553 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366065712 1337358757 /nfs/dbraw/zinc/35/87/57/1337358757.db2.gz DFBIVGPJEGIEKW-KRWDZBQOSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001367437097 1338739538 /nfs/dbraw/zinc/73/95/38/1338739538.db2.gz JIDPOSDIVHMSOO-UHFFFAOYSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001367437097 1338739542 /nfs/dbraw/zinc/73/95/42/1338739542.db2.gz JIDPOSDIVHMSOO-UHFFFAOYSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368234056 1339277864 /nfs/dbraw/zinc/27/78/64/1339277864.db2.gz VLZOPVCJFOTAKG-RDJZCZTQSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368234056 1339277866 /nfs/dbraw/zinc/27/78/66/1339277866.db2.gz VLZOPVCJFOTAKG-RDJZCZTQSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368234052 1339278140 /nfs/dbraw/zinc/27/81/40/1339278140.db2.gz VLZOPVCJFOTAKG-DOTOQJQBSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368234052 1339278142 /nfs/dbraw/zinc/27/81/42/1339278142.db2.gz VLZOPVCJFOTAKG-DOTOQJQBSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001368342026 1339307128 /nfs/dbraw/zinc/30/71/28/1339307128.db2.gz PTYMIORQUAFRSX-ACHSLPGTSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001368342026 1339307130 /nfs/dbraw/zinc/30/71/30/1339307130.db2.gz PTYMIORQUAFRSX-ACHSLPGTSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001368342026 1339307132 /nfs/dbraw/zinc/30/71/32/1339307132.db2.gz PTYMIORQUAFRSX-ACHSLPGTSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)C2 ZINC001368350750 1339311594 /nfs/dbraw/zinc/31/15/94/1339311594.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001368350750 1339311597 /nfs/dbraw/zinc/31/15/97/1339311597.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001368350750 1339311600 /nfs/dbraw/zinc/31/16/00/1339311600.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 2 1 341.927 2.830 20 30 EFEDMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848698 1340721268 /nfs/dbraw/zinc/72/12/68/1340721268.db2.gz ZHQUDSNDXXZOQL-INIZCTEOSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376614821 1343721604 /nfs/dbraw/zinc/72/16/04/1343721604.db2.gz CLLIGHXVPFTPKM-JKSUJKDBSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614821 1343721609 /nfs/dbraw/zinc/72/16/09/1343721609.db2.gz CLLIGHXVPFTPKM-JKSUJKDBSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614821 1343721618 /nfs/dbraw/zinc/72/16/18/1343721618.db2.gz CLLIGHXVPFTPKM-JKSUJKDBSA-N 2 1 343.943 2.934 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001380086397 1347509420 /nfs/dbraw/zinc/50/94/20/1347509420.db2.gz IIEMBTFZRFTWMK-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001381277427 1348181445 /nfs/dbraw/zinc/18/14/45/1348181445.db2.gz ZRHXMRGKUMBAHA-INIZCTEOSA-N 2 1 338.883 2.695 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001381765705 1348514543 /nfs/dbraw/zinc/51/45/43/1348514543.db2.gz ZORYXSBLXHDNEZ-KRWDZBQOSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001381765705 1348514544 /nfs/dbraw/zinc/51/45/44/1348514544.db2.gz ZORYXSBLXHDNEZ-KRWDZBQOSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@@H]1C ZINC001391808732 1355551109 /nfs/dbraw/zinc/55/11/09/1355551109.db2.gz LFITXYCIFCKUTI-YOEHRIQHSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@H]1C ZINC001391808381 1355551132 /nfs/dbraw/zinc/55/11/32/1355551132.db2.gz LFITXYCIFCKUTI-PBHICJAKSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001391884005 1355620185 /nfs/dbraw/zinc/62/01/85/1355620185.db2.gz CTLOTIZGSBOTAN-HOCLYGCPSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001402662682 1363906238 /nfs/dbraw/zinc/90/62/38/1363906238.db2.gz JFFMMYXGZPHEGY-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001402662682 1363906242 /nfs/dbraw/zinc/90/62/42/1363906242.db2.gz JFFMMYXGZPHEGY-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001394396201 1357770599 /nfs/dbraw/zinc/77/05/99/1357770599.db2.gz GIOUTYCHAMUXSS-UHFFFAOYSA-N 2 1 349.906 2.794 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001394396201 1357770602 /nfs/dbraw/zinc/77/06/02/1357770602.db2.gz GIOUTYCHAMUXSS-UHFFFAOYSA-N 2 1 349.906 2.794 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001394396201 1357770605 /nfs/dbraw/zinc/77/06/05/1357770605.db2.gz GIOUTYCHAMUXSS-UHFFFAOYSA-N 2 1 349.906 2.794 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001394396201 1357770608 /nfs/dbraw/zinc/77/06/08/1357770608.db2.gz GIOUTYCHAMUXSS-UHFFFAOYSA-N 2 1 349.906 2.794 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1C)C(C)(C)C ZINC001394832410 1358132387 /nfs/dbraw/zinc/13/23/87/1358132387.db2.gz HPHLLBWAWINREC-HNNXBMFYSA-N 2 1 340.899 2.845 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001394858873 1358165580 /nfs/dbraw/zinc/16/55/80/1358165580.db2.gz GRROIVCVMRQTJP-UHFFFAOYSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060666 1387389907 /nfs/dbraw/zinc/38/99/07/1387389907.db2.gz RDYFMZVZMNPELZ-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001400950990 1362290656 /nfs/dbraw/zinc/29/06/56/1362290656.db2.gz FQHXXYRJTNSVBH-MRXNPFEDSA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001401232925 1362570532 /nfs/dbraw/zinc/57/05/32/1362570532.db2.gz KYLLTKXMSDOKLV-OAHLLOKOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001401302028 1362647428 /nfs/dbraw/zinc/64/74/28/1362647428.db2.gz VKLAASNQFMKFKS-DZGCQCFKSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001402037826 1363348549 /nfs/dbraw/zinc/34/85/49/1363348549.db2.gz FBKUUILNJJQXNH-MRXNPFEDSA-N 2 1 329.916 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001402077135 1363381968 /nfs/dbraw/zinc/38/19/68/1363381968.db2.gz NLXRGKWMXCBLEO-MRXNPFEDSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001402093688 1363399434 /nfs/dbraw/zinc/39/94/34/1363399434.db2.gz BGQCTBDTGZWBSZ-MRXNPFEDSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120508 1363426110 /nfs/dbraw/zinc/42/61/10/1363426110.db2.gz AVRIIKHHTLRGAH-KRWDZBQOSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120508 1363426115 /nfs/dbraw/zinc/42/61/15/1363426115.db2.gz AVRIIKHHTLRGAH-KRWDZBQOSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001402662671 1363905740 /nfs/dbraw/zinc/90/57/40/1363905740.db2.gz JFFMMYXGZPHEGY-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001402662671 1363905743 /nfs/dbraw/zinc/90/57/43/1363905743.db2.gz JFFMMYXGZPHEGY-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001402662671 1363905749 /nfs/dbraw/zinc/90/57/49/1363905749.db2.gz JFFMMYXGZPHEGY-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001402662671 1363905753 /nfs/dbraw/zinc/90/57/53/1363905753.db2.gz JFFMMYXGZPHEGY-HNNXBMFYSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001402662682 1363906233 /nfs/dbraw/zinc/90/62/33/1363906233.db2.gz JFFMMYXGZPHEGY-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001402662682 1363906236 /nfs/dbraw/zinc/90/62/36/1363906236.db2.gz JFFMMYXGZPHEGY-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402680042 1363929171 /nfs/dbraw/zinc/92/91/71/1363929171.db2.gz JVZWBXJCFGFALP-QGZVFWFLSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402680042 1363929173 /nfs/dbraw/zinc/92/91/73/1363929173.db2.gz JVZWBXJCFGFALP-QGZVFWFLSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001404059214 1365215082 /nfs/dbraw/zinc/21/50/82/1365215082.db2.gz NUGOGKRYGHWCOV-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001404059214 1365215086 /nfs/dbraw/zinc/21/50/86/1365215086.db2.gz NUGOGKRYGHWCOV-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001404059214 1365215089 /nfs/dbraw/zinc/21/50/89/1365215089.db2.gz NUGOGKRYGHWCOV-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001404059214 1365215094 /nfs/dbraw/zinc/21/50/94/1365215094.db2.gz NUGOGKRYGHWCOV-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026463 1368344350 /nfs/dbraw/zinc/34/43/50/1368344350.db2.gz JQZSVEJCXPZFRB-AEFFLSMTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026463 1368344358 /nfs/dbraw/zinc/34/43/58/1368344358.db2.gz JQZSVEJCXPZFRB-AEFFLSMTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001417903281 1373395223 /nfs/dbraw/zinc/39/52/23/1373395223.db2.gz ZWAYQFBNVBYATO-UHFFFAOYSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001418551422 1374166598 /nfs/dbraw/zinc/16/65/98/1374166598.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)CC[N@@H+](C)CC)CC1 ZINC001419205159 1374950851 /nfs/dbraw/zinc/95/08/51/1374950851.db2.gz HVNOSLLAJSWXBD-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)CN1CCC(N(CCC)C(=O)CC[N@@H+](C)CC)CC1 ZINC001419205159 1374950846 /nfs/dbraw/zinc/95/08/46/1374950846.db2.gz HVNOSLLAJSWXBD-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)CC[N@H+](C)CC)CC1 ZINC001419205159 1374950849 /nfs/dbraw/zinc/95/08/49/1374950849.db2.gz HVNOSLLAJSWXBD-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001419332829 1375116638 /nfs/dbraw/zinc/11/66/38/1375116638.db2.gz JSTMNINWBPYNSC-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001421161428 1378207264 /nfs/dbraw/zinc/20/72/64/1378207264.db2.gz JRXPWWQWSHIIOQ-HNNXBMFYSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001422041426 1379531721 /nfs/dbraw/zinc/53/17/21/1379531721.db2.gz QHIKLYLBESVCLO-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001422041426 1379531726 /nfs/dbraw/zinc/53/17/26/1379531726.db2.gz QHIKLYLBESVCLO-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001422041426 1379531729 /nfs/dbraw/zinc/53/17/29/1379531729.db2.gz QHIKLYLBESVCLO-NVXWUHKLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001422085399 1379591327 /nfs/dbraw/zinc/59/13/27/1379591327.db2.gz GDGVZRDJIZBQOO-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001422085399 1379591330 /nfs/dbraw/zinc/59/13/30/1379591330.db2.gz GDGVZRDJIZBQOO-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001422462383 1380144773 /nfs/dbraw/zinc/14/47/73/1380144773.db2.gz ACMWUNSUDFAYEL-UHFFFAOYSA-N 2 1 340.899 2.833 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001440318964 1389531073 /nfs/dbraw/zinc/53/10/73/1389531073.db2.gz MLTRTOZIGJHRRL-HYVNUMGLSA-N 2 1 335.879 2.526 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001440423510 1389621353 /nfs/dbraw/zinc/62/13/53/1389621353.db2.gz VBQHHLVRNRPUGP-ZBFHGGJFSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001506980562 1406543112 /nfs/dbraw/zinc/54/31/12/1406543112.db2.gz VBTHZMZYKDWJBG-OALUTQOASA-N 2 1 329.488 2.884 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001449058902 1392242573 /nfs/dbraw/zinc/24/25/73/1392242573.db2.gz NWUXGQMBYWBERQ-CVEARBPZSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984722 1398069744 /nfs/dbraw/zinc/06/97/44/1398069744.db2.gz HKHMXONTWARKRX-HNNXBMFYSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001494194694 1399201993 /nfs/dbraw/zinc/20/19/93/1399201993.db2.gz AQDQIIGDGKKASY-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001494194694 1399201996 /nfs/dbraw/zinc/20/19/96/1399201996.db2.gz AQDQIIGDGKKASY-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494718407 1399441913 /nfs/dbraw/zinc/44/19/13/1399441913.db2.gz JNUBVOWNAJOEMJ-MJGOQNOKSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001500382363 1403086806 /nfs/dbraw/zinc/08/68/06/1403086806.db2.gz PTLVISZVBPLZLC-KRWDZBQOSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566771836 1415769506 /nfs/dbraw/zinc/76/95/06/1415769506.db2.gz BAMYJGRTUQYYFM-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP CC[C@H](C(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001567651066 1416231222 /nfs/dbraw/zinc/23/12/22/1416231222.db2.gz AERDXBXTHYMZMB-HXUWFJFHSA-N 2 1 343.515 2.595 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153930 712940364 /nfs/dbraw/zinc/94/03/64/712940364.db2.gz SRWOHOMQEJEKBE-FQEVSTJZSA-N 2 1 341.499 2.746 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158752 712944013 /nfs/dbraw/zinc/94/40/13/712944013.db2.gz SJRVTXJLJBXTNW-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153571 713533192 /nfs/dbraw/zinc/53/31/92/713533192.db2.gz BXDQUBFWEITQQX-RBUKOAKNSA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980218407 717933079 /nfs/dbraw/zinc/93/30/79/717933079.db2.gz NDVVELYBOCEDPS-UFYCRDLUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021607872 714169559 /nfs/dbraw/zinc/16/95/59/714169559.db2.gz YBVAEOSTYBCPSI-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607872 714169560 /nfs/dbraw/zinc/16/95/60/714169560.db2.gz YBVAEOSTYBCPSI-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607872 714169562 /nfs/dbraw/zinc/16/95/62/714169562.db2.gz YBVAEOSTYBCPSI-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607872 714169563 /nfs/dbraw/zinc/16/95/63/714169563.db2.gz YBVAEOSTYBCPSI-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021635001 714213118 /nfs/dbraw/zinc/21/31/18/714213118.db2.gz GZJSMLGRXQCNHT-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671916 714275423 /nfs/dbraw/zinc/27/54/23/714275423.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671916 714275427 /nfs/dbraw/zinc/27/54/27/714275427.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671916 714275430 /nfs/dbraw/zinc/27/54/30/714275430.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705938 714344666 /nfs/dbraw/zinc/34/46/66/714344666.db2.gz HJOKLIZWHRXZGG-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711381 714349279 /nfs/dbraw/zinc/34/92/79/714349279.db2.gz VYCBWRCWPSGDHE-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738903 714401186 /nfs/dbraw/zinc/40/11/86/714401186.db2.gz DSDJUMCBRVREQP-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980251068 717980473 /nfs/dbraw/zinc/98/04/73/717980473.db2.gz FULBZSSOCAXMCA-QXAKKESOSA-N 2 1 341.499 2.765 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000971704260 714895414 /nfs/dbraw/zinc/89/54/14/714895414.db2.gz QKWAFJQLRPGHJJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000971704260 714895416 /nfs/dbraw/zinc/89/54/16/714895416.db2.gz QKWAFJQLRPGHJJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC000971704260 714895418 /nfs/dbraw/zinc/89/54/18/714895418.db2.gz QKWAFJQLRPGHJJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC000971704260 714895419 /nfs/dbraw/zinc/89/54/19/714895419.db2.gz QKWAFJQLRPGHJJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617868 718027133 /nfs/dbraw/zinc/02/71/33/718027133.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617868 718027136 /nfs/dbraw/zinc/02/71/36/718027136.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617868 718027138 /nfs/dbraw/zinc/02/71/38/718027138.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618115 718031115 /nfs/dbraw/zinc/03/11/15/718031115.db2.gz QGTOWGOABFZZJS-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618115 718031117 /nfs/dbraw/zinc/03/11/17/718031117.db2.gz QGTOWGOABFZZJS-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618115 718031121 /nfs/dbraw/zinc/03/11/21/718031121.db2.gz QGTOWGOABFZZJS-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038988 715443972 /nfs/dbraw/zinc/44/39/72/715443972.db2.gz MHJFTGMIGNLVJZ-BEFAXECRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158018 715450921 /nfs/dbraw/zinc/45/09/21/715450921.db2.gz JJCKBOKHAYFXFT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972158018 715450924 /nfs/dbraw/zinc/45/09/24/715450924.db2.gz JJCKBOKHAYFXFT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972158018 715450929 /nfs/dbraw/zinc/45/09/29/715450929.db2.gz JJCKBOKHAYFXFT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975065538 715466635 /nfs/dbraw/zinc/46/66/35/715466635.db2.gz UIFIWEDCBHDGEZ-IBGZPJMESA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027417384 715739513 /nfs/dbraw/zinc/73/95/13/715739513.db2.gz XEUPYABQMNLCTL-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027417384 715739515 /nfs/dbraw/zinc/73/95/15/715739515.db2.gz XEUPYABQMNLCTL-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985469461 724438985 /nfs/dbraw/zinc/43/89/85/724438985.db2.gz FAPOHCJORJVWGC-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000985469461 724438988 /nfs/dbraw/zinc/43/89/88/724438988.db2.gz FAPOHCJORJVWGC-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000985469461 724438992 /nfs/dbraw/zinc/43/89/92/724438992.db2.gz FAPOHCJORJVWGC-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442660 716217979 /nfs/dbraw/zinc/21/79/79/716217979.db2.gz WZDDBYYTQIRGEI-GOSISDBHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647314 716306473 /nfs/dbraw/zinc/30/64/73/716306473.db2.gz NMAMFBFSLIPSQY-AZUAARDMSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542043 716374050 /nfs/dbraw/zinc/37/40/50/716374050.db2.gz HEIKEYNAKCUHGO-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542043 716374055 /nfs/dbraw/zinc/37/40/55/716374055.db2.gz HEIKEYNAKCUHGO-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542043 716374060 /nfs/dbraw/zinc/37/40/60/716374060.db2.gz HEIKEYNAKCUHGO-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541170 716382862 /nfs/dbraw/zinc/38/28/62/716382862.db2.gz NLGXDLPQARQJIG-IRXDYDNUSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541170 716382866 /nfs/dbraw/zinc/38/28/66/716382866.db2.gz NLGXDLPQARQJIG-IRXDYDNUSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541170 716382867 /nfs/dbraw/zinc/38/28/67/716382867.db2.gz NLGXDLPQARQJIG-IRXDYDNUSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541170 716382870 /nfs/dbraw/zinc/38/28/70/716382870.db2.gz NLGXDLPQARQJIG-IRXDYDNUSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409977 716430326 /nfs/dbraw/zinc/43/03/26/716430326.db2.gz KHKRIQYFQCIYSE-OALUTQOASA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409977 716430330 /nfs/dbraw/zinc/43/03/30/716430330.db2.gz KHKRIQYFQCIYSE-OALUTQOASA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409977 716430335 /nfs/dbraw/zinc/43/03/35/716430335.db2.gz KHKRIQYFQCIYSE-OALUTQOASA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414106 716439307 /nfs/dbraw/zinc/43/93/07/716439307.db2.gz MTZLCFIBZPPZJW-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414106 716439309 /nfs/dbraw/zinc/43/93/09/716439309.db2.gz MTZLCFIBZPPZJW-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414106 716439311 /nfs/dbraw/zinc/43/93/11/716439311.db2.gz MTZLCFIBZPPZJW-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414554 716440042 /nfs/dbraw/zinc/44/00/42/716440042.db2.gz VYCAHROYQSTIOT-IAGOWNOFSA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414554 716440045 /nfs/dbraw/zinc/44/00/45/716440045.db2.gz VYCAHROYQSTIOT-IAGOWNOFSA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556752 716479048 /nfs/dbraw/zinc/47/90/48/716479048.db2.gz SWIXZFSSGFWFLL-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556752 716479053 /nfs/dbraw/zinc/47/90/53/716479053.db2.gz SWIXZFSSGFWFLL-IRXDYDNUSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490123 716535689 /nfs/dbraw/zinc/53/56/89/716535689.db2.gz UKSVTDKAWWDZKW-MRXNPFEDSA-N 2 1 326.444 2.742 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692265 716539670 /nfs/dbraw/zinc/53/96/70/716539670.db2.gz DKTKGIKSDPBJAK-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508057 716557932 /nfs/dbraw/zinc/55/79/32/716557932.db2.gz HEZGPCIEUOZFNP-GOSISDBHSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697269 716570128 /nfs/dbraw/zinc/57/01/28/716570128.db2.gz VBXYXSPUJAGFFL-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697269 716570130 /nfs/dbraw/zinc/57/01/30/716570130.db2.gz VBXYXSPUJAGFFL-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978951541 716598615 /nfs/dbraw/zinc/59/86/15/716598615.db2.gz QBKSRVQGPXSIHU-HAGHYFMRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552726 716616602 /nfs/dbraw/zinc/61/66/02/716616602.db2.gz MBILSASEZJRMKZ-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552726 716616610 /nfs/dbraw/zinc/61/66/10/716616610.db2.gz MBILSASEZJRMKZ-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552726 716616613 /nfs/dbraw/zinc/61/66/13/716616613.db2.gz MBILSASEZJRMKZ-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568321 716634992 /nfs/dbraw/zinc/63/49/92/716634992.db2.gz KVBCZQLXZDRVTP-WMZOPIPTSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023586126 716662704 /nfs/dbraw/zinc/66/27/04/716662704.db2.gz UVGVJYMTAZGJMF-HOTGVXAUSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023586126 716662708 /nfs/dbraw/zinc/66/27/08/716662708.db2.gz UVGVJYMTAZGJMF-HOTGVXAUSA-N 2 1 330.476 2.624 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027577281 716717510 /nfs/dbraw/zinc/71/75/10/716717510.db2.gz IFJKREXGMNEQSZ-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979109868 716728493 /nfs/dbraw/zinc/72/84/93/716728493.db2.gz BHNKGUVGVFQGBT-NNZMDNLPSA-N 2 1 345.487 2.605 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001023760449 716973514 /nfs/dbraw/zinc/97/35/14/716973514.db2.gz WJHIJDZBOBRKQN-LJQANCHMSA-N 2 1 347.547 2.596 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769761 716990835 /nfs/dbraw/zinc/99/08/35/716990835.db2.gz FLMBHJVRORBISS-QGZVFWFLSA-N 2 1 345.487 2.587 20 30 EFEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176968487 717331739 /nfs/dbraw/zinc/33/17/39/717331739.db2.gz NSOLVYLALOMIDJ-LBPRGKRZSA-N 2 1 346.397 2.720 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1 ZINC000985477032 724449144 /nfs/dbraw/zinc/44/91/44/724449144.db2.gz YVEWXMDMFIWVSC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC000985477032 724449147 /nfs/dbraw/zinc/44/91/47/724449147.db2.gz YVEWXMDMFIWVSC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCCCC2)CC1 ZINC000985477032 724449149 /nfs/dbraw/zinc/44/91/49/724449149.db2.gz YVEWXMDMFIWVSC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCCCC2)CC1 ZINC000985477032 724449152 /nfs/dbraw/zinc/44/91/52/724449152.db2.gz YVEWXMDMFIWVSC-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980002378 717654648 /nfs/dbraw/zinc/65/46/48/717654648.db2.gz QPIDUQUIHOPJAJ-FHWLQOOXSA-N 2 1 345.531 2.655 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440071 717737656 /nfs/dbraw/zinc/73/76/56/717737656.db2.gz KGGCKAMLXQADEK-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440071 717737661 /nfs/dbraw/zinc/73/76/61/717737661.db2.gz KGGCKAMLXQADEK-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440071 717737664 /nfs/dbraw/zinc/73/76/64/717737664.db2.gz KGGCKAMLXQADEK-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980144963 717793363 /nfs/dbraw/zinc/79/33/63/717793363.db2.gz RWCPYZAVPUVURA-KSZLIROESA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479939 717806318 /nfs/dbraw/zinc/80/63/18/717806318.db2.gz UKNHQFFGNBSNAH-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479939 717806322 /nfs/dbraw/zinc/80/63/22/717806322.db2.gz UKNHQFFGNBSNAH-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885648 717834784 /nfs/dbraw/zinc/83/47/84/717834784.db2.gz HKOVTUUONBSTAT-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980182220 717851109 /nfs/dbraw/zinc/85/11/09/717851109.db2.gz CDXVWBQFUNCMJO-OTWHNJEPSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980183167 717867987 /nfs/dbraw/zinc/86/79/87/717867987.db2.gz GBNRXWOPRQMPJQ-KSZLIROESA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980183167 717867993 /nfs/dbraw/zinc/86/79/93/717867993.db2.gz GBNRXWOPRQMPJQ-KSZLIROESA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711932 718101783 /nfs/dbraw/zinc/10/17/83/718101783.db2.gz NFKRAENZLKMGHI-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024752171 718138258 /nfs/dbraw/zinc/13/82/58/718138258.db2.gz QGHPZPYYEYVFKF-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024752171 718138259 /nfs/dbraw/zinc/13/82/59/718138259.db2.gz QGHPZPYYEYVFKF-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024752171 718138261 /nfs/dbraw/zinc/13/82/61/718138261.db2.gz QGHPZPYYEYVFKF-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024752171 718138262 /nfs/dbraw/zinc/13/82/62/718138262.db2.gz QGHPZPYYEYVFKF-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024987861 718249714 /nfs/dbraw/zinc/24/97/14/718249714.db2.gz XPFPEQBWJKDOMQ-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024987861 718249716 /nfs/dbraw/zinc/24/97/16/718249716.db2.gz XPFPEQBWJKDOMQ-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)c2occc2CN(C)C)C[C@@H]1C ZINC000947663291 718431983 /nfs/dbraw/zinc/43/19/83/718431983.db2.gz STQOMBFTELNQPJ-ZFWWWQNUSA-N 2 1 339.867 2.676 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244565 718463340 /nfs/dbraw/zinc/46/33/40/718463340.db2.gz WIVMYQMFJBECCL-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248293 718469051 /nfs/dbraw/zinc/46/90/51/718469051.db2.gz YBMRKDILQDPCEF-RBUKOAKNSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251857 718472737 /nfs/dbraw/zinc/47/27/37/718472737.db2.gz LKMWYBAXBQQECC-OALUTQOASA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258819 718475128 /nfs/dbraw/zinc/47/51/28/718475128.db2.gz JIZLOWIBGGIYAO-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045653 718494568 /nfs/dbraw/zinc/49/45/68/718494568.db2.gz NSYYDBOOISISPI-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287821 718524591 /nfs/dbraw/zinc/52/45/91/718524591.db2.gz GVEBFQFGSPSRMB-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289362 718530171 /nfs/dbraw/zinc/53/01/71/718530171.db2.gz ZHBZGZKEJZCNDK-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293079 718533290 /nfs/dbraw/zinc/53/32/90/718533290.db2.gz AFCQZNWPTDKDJP-IRXDYDNUSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293079 718533293 /nfs/dbraw/zinc/53/32/93/718533293.db2.gz AFCQZNWPTDKDJP-IRXDYDNUSA-N 2 1 339.911 2.680 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294127 718535800 /nfs/dbraw/zinc/53/58/00/718535800.db2.gz IKSRIJWDUTYXEG-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294127 718535806 /nfs/dbraw/zinc/53/58/06/718535806.db2.gz IKSRIJWDUTYXEG-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC000981361541 718664023 /nfs/dbraw/zinc/66/40/23/718664023.db2.gz RUDRBJBRBZFKSC-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC000981361541 718664024 /nfs/dbraw/zinc/66/40/24/718664024.db2.gz RUDRBJBRBZFKSC-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000981361541 718664025 /nfs/dbraw/zinc/66/40/25/718664025.db2.gz RUDRBJBRBZFKSC-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000981361541 718664026 /nfs/dbraw/zinc/66/40/26/718664026.db2.gz RUDRBJBRBZFKSC-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981364536 718665647 /nfs/dbraw/zinc/66/56/47/718665647.db2.gz ODHQGAMRQSEJTF-GJZGRUSLSA-N 2 1 338.883 2.776 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092644 718708394 /nfs/dbraw/zinc/70/83/94/718708394.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092644 718708397 /nfs/dbraw/zinc/70/83/97/718708397.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092644 718708399 /nfs/dbraw/zinc/70/83/99/718708399.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461118 718921664 /nfs/dbraw/zinc/92/16/64/718921664.db2.gz PGEUZPMJFDRNQO-HOTGVXAUSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461118 718921668 /nfs/dbraw/zinc/92/16/68/718921668.db2.gz PGEUZPMJFDRNQO-HOTGVXAUSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470664 718957617 /nfs/dbraw/zinc/95/76/17/718957617.db2.gz ZZLMOQHVAADSPI-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470663 718957684 /nfs/dbraw/zinc/95/76/84/718957684.db2.gz ZZLMOQHVAADSPI-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473208 718959511 /nfs/dbraw/zinc/95/95/11/718959511.db2.gz ARSGFRYAPXEJCZ-NVXWUHKLSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486367 719001486 /nfs/dbraw/zinc/00/14/86/719001486.db2.gz UBYDGPQSUKUTRV-HZPDHXFCSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486744 719001904 /nfs/dbraw/zinc/00/19/04/719001904.db2.gz WJTXJRAMTCRVMH-CVEARBPZSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492939 719020923 /nfs/dbraw/zinc/02/09/23/719020923.db2.gz HFWCNDFKDQDZJR-MJGOQNOKSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492938 719021219 /nfs/dbraw/zinc/02/12/19/719021219.db2.gz HFWCNDFKDQDZJR-IEBWSBKVSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779972 719038406 /nfs/dbraw/zinc/03/84/06/719038406.db2.gz HEALYBDJJOCFLA-INIZCTEOSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779972 719038411 /nfs/dbraw/zinc/03/84/11/719038411.db2.gz HEALYBDJJOCFLA-INIZCTEOSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515708 719052434 /nfs/dbraw/zinc/05/24/34/719052434.db2.gz MNQXGPUFLIOSJQ-HZPDHXFCSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813813 719062179 /nfs/dbraw/zinc/06/21/79/719062179.db2.gz RATVEKIDHBXLEK-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813813 719062184 /nfs/dbraw/zinc/06/21/84/719062184.db2.gz RATVEKIDHBXLEK-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813813 719062188 /nfs/dbraw/zinc/06/21/88/719062188.db2.gz RATVEKIDHBXLEK-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813959 719062548 /nfs/dbraw/zinc/06/25/48/719062548.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813959 719062552 /nfs/dbraw/zinc/06/25/52/719062552.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813959 719062556 /nfs/dbraw/zinc/06/25/56/719062556.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981814614 719064067 /nfs/dbraw/zinc/06/40/67/719064067.db2.gz JXJMBWLUCKJRRL-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981814614 719064073 /nfs/dbraw/zinc/06/40/73/719064073.db2.gz JXJMBWLUCKJRRL-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981814614 719064080 /nfs/dbraw/zinc/06/40/80/719064080.db2.gz JXJMBWLUCKJRRL-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(Cl)CN1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981823027 719083262 /nfs/dbraw/zinc/08/32/62/719083262.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981823027 719083265 /nfs/dbraw/zinc/08/32/65/719083265.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981823027 719083269 /nfs/dbraw/zinc/08/32/69/719083269.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981823027 719083270 /nfs/dbraw/zinc/08/32/70/719083270.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981823027 719083272 /nfs/dbraw/zinc/08/32/72/719083272.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000981861325 719139921 /nfs/dbraw/zinc/13/99/21/719139921.db2.gz MCPJFMIXFUWTSO-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861325 719139925 /nfs/dbraw/zinc/13/99/25/719139925.db2.gz MCPJFMIXFUWTSO-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861325 719139928 /nfs/dbraw/zinc/13/99/28/719139928.db2.gz MCPJFMIXFUWTSO-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871158 719150821 /nfs/dbraw/zinc/15/08/21/719150821.db2.gz UHWLCJZZCISMKF-UHFFFAOYSA-N 2 1 331.504 2.505 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591293 719183612 /nfs/dbraw/zinc/18/36/12/719183612.db2.gz ZQKJHMLUBXJLHV-LPHOPBHVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591294 719183964 /nfs/dbraw/zinc/18/39/64/719183964.db2.gz ZQKJHMLUBXJLHV-QFBILLFUSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627681 719248817 /nfs/dbraw/zinc/24/88/17/719248817.db2.gz AWVSEDNQSOKNPZ-ICSRJNTNSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628686 719251648 /nfs/dbraw/zinc/25/16/48/719251648.db2.gz TYYJOLZRVQMLLJ-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629318 719253539 /nfs/dbraw/zinc/25/35/39/719253539.db2.gz FSOYLICFVARAQH-ROUUACIJSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629679 719254422 /nfs/dbraw/zinc/25/44/22/719254422.db2.gz IQBRSLFRUBGVRA-ICSRJNTNSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279607 719788231 /nfs/dbraw/zinc/78/82/31/719788231.db2.gz AYUNSYHUEVTZAW-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279607 719788237 /nfs/dbraw/zinc/78/82/37/719788237.db2.gz AYUNSYHUEVTZAW-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279607 719788240 /nfs/dbraw/zinc/78/82/40/719788240.db2.gz AYUNSYHUEVTZAW-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285564 719804760 /nfs/dbraw/zinc/80/47/60/719804760.db2.gz KZUANWIZSCDGEA-IZZBFERCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285564 719804773 /nfs/dbraw/zinc/80/47/73/719804773.db2.gz KZUANWIZSCDGEA-IZZBFERCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285564 719804786 /nfs/dbraw/zinc/80/47/86/719804786.db2.gz KZUANWIZSCDGEA-IZZBFERCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@]2(C)C1 ZINC000982299380 719851044 /nfs/dbraw/zinc/85/10/44/719851044.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@]2(C)C1 ZINC000982299380 719851051 /nfs/dbraw/zinc/85/10/51/719851051.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254563 719889985 /nfs/dbraw/zinc/88/99/85/719889985.db2.gz XGDXXGCQSNKLOV-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001026298829 720179947 /nfs/dbraw/zinc/17/99/47/720179947.db2.gz QKHIUMJUWUNYEB-RYQLBKOJSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342802 720396860 /nfs/dbraw/zinc/39/68/60/720396860.db2.gz GQZUMTMIOJQMFG-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594462 724694023 /nfs/dbraw/zinc/69/40/23/724694023.db2.gz UWQIILSRTWJISB-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985594462 724694024 /nfs/dbraw/zinc/69/40/24/724694024.db2.gz UWQIILSRTWJISB-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985594462 724694026 /nfs/dbraw/zinc/69/40/26/724694026.db2.gz UWQIILSRTWJISB-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026506852 720684158 /nfs/dbraw/zinc/68/41/58/720684158.db2.gz GYLIWGVSUXWPCZ-TVPLGVNVSA-N 2 1 333.520 2.987 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026508686 720690526 /nfs/dbraw/zinc/69/05/26/720690526.db2.gz FMCSHNUQQYJYFZ-MHJFOBGBSA-N 2 1 343.515 2.601 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026508686 720690528 /nfs/dbraw/zinc/69/05/28/720690528.db2.gz FMCSHNUQQYJYFZ-MHJFOBGBSA-N 2 1 343.515 2.601 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519759 720702726 /nfs/dbraw/zinc/70/27/26/720702726.db2.gz UEPWJGBFLSOGHW-OFLPRAFFSA-N 2 1 341.927 2.876 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959949 /nfs/dbraw/zinc/95/99/49/720959949.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959951 /nfs/dbraw/zinc/95/99/51/720959951.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959954 /nfs/dbraw/zinc/95/99/54/720959954.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028572805 721035390 /nfs/dbraw/zinc/03/53/90/721035390.db2.gz DOSHNMKTXIKNBQ-OAHLLOKOSA-N 2 1 335.517 2.828 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725873 721131824 /nfs/dbraw/zinc/13/18/24/721131824.db2.gz PDCHWAQQPUWOJS-JYRKZWEQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676358 721278130 /nfs/dbraw/zinc/27/81/30/721278130.db2.gz WPHOIRGFVXQKEZ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676358 721278133 /nfs/dbraw/zinc/27/81/33/721278133.db2.gz WPHOIRGFVXQKEZ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676388 721278164 /nfs/dbraw/zinc/27/81/64/721278164.db2.gz WPHOIRGFVXQKEZ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676388 721278167 /nfs/dbraw/zinc/27/81/67/721278167.db2.gz WPHOIRGFVXQKEZ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830847 721301540 /nfs/dbraw/zinc/30/15/40/721301540.db2.gz BCBFCAHOEVPXJB-QGZVKYPTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@]2(C)C1 ZINC000982831760 721304680 /nfs/dbraw/zinc/30/46/80/721304680.db2.gz QLCQIJFFMQLDBT-OYRHEFFESA-N 2 1 341.499 2.718 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982834389 721308171 /nfs/dbraw/zinc/30/81/71/721308171.db2.gz XVHDUHOVMSHXHY-OYRHEFFESA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974749187 721385729 /nfs/dbraw/zinc/38/57/29/721385729.db2.gz YKCXEBFFSGLAKJ-QGZVFWFLSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780686 721427496 /nfs/dbraw/zinc/42/74/96/721427496.db2.gz UFOPJKAWPXBERK-QGZVFWFLSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681708 724791664 /nfs/dbraw/zinc/79/16/64/724791664.db2.gz BIJPDKALHUNZHH-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709972 721876814 /nfs/dbraw/zinc/87/68/14/721876814.db2.gz GQVLMSMPYFLWKR-MRXNPFEDSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709972 721876816 /nfs/dbraw/zinc/87/68/16/721876816.db2.gz GQVLMSMPYFLWKR-MRXNPFEDSA-N 2 1 349.906 2.595 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755187 721936145 /nfs/dbraw/zinc/93/61/45/721936145.db2.gz IJVPVEJHFQCEST-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755187 721936146 /nfs/dbraw/zinc/93/61/46/721936146.db2.gz IJVPVEJHFQCEST-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755187 721936148 /nfs/dbraw/zinc/93/61/48/721936148.db2.gz IJVPVEJHFQCEST-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921348 722097740 /nfs/dbraw/zinc/09/77/40/722097740.db2.gz QHWLKIWAGHMWCT-SFHVURJKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000804 722617248 /nfs/dbraw/zinc/61/72/48/722617248.db2.gz KEMWEPTUCZYPJG-MRXNPFEDSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000804 722617250 /nfs/dbraw/zinc/61/72/50/722617250.db2.gz KEMWEPTUCZYPJG-MRXNPFEDSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000640 722617950 /nfs/dbraw/zinc/61/79/50/722617950.db2.gz GRFHVBTWVDDVSN-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802327 723411565 /nfs/dbraw/zinc/41/15/65/723411565.db2.gz XYJYUHMGGUUMNT-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985746250 724851217 /nfs/dbraw/zinc/85/12/17/724851217.db2.gz JLWYRPPPDJXBCR-NRFANRHFSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987105057 725509062 /nfs/dbraw/zinc/50/90/62/725509062.db2.gz WRGKMRLQXWXKHJ-CABCVRRESA-N 2 1 338.883 2.728 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4nc[nH]c43)CCC[C@H]12 ZINC000992165379 725578500 /nfs/dbraw/zinc/57/85/00/725578500.db2.gz DXJFFKMVOYPONN-SIXWZSSISA-N 2 1 328.460 2.519 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262224 725655260 /nfs/dbraw/zinc/65/52/60/725655260.db2.gz RCIOIFDYFFGBCX-VQIMIIECSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262224 725655262 /nfs/dbraw/zinc/65/52/62/725655262.db2.gz RCIOIFDYFFGBCX-VQIMIIECSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276820 725666125 /nfs/dbraw/zinc/66/61/25/725666125.db2.gz BGKAWJXVNXZPQN-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992399582 725777908 /nfs/dbraw/zinc/77/79/08/725777908.db2.gz CJLORTDYBUNOOD-TZIWHRDSSA-N 2 1 345.531 2.798 20 30 EFEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153563453 726945568 /nfs/dbraw/zinc/94/55/68/726945568.db2.gz PUOZFPQZGYRBQQ-INIZCTEOSA-N 2 1 338.565 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498549 727283742 /nfs/dbraw/zinc/28/37/42/727283742.db2.gz FYBWOUUHEGIBCZ-QAPCUYQASA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993624091 727346326 /nfs/dbraw/zinc/34/63/26/727346326.db2.gz RLXURLUQONFOMD-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993624091 727346327 /nfs/dbraw/zinc/34/63/27/727346327.db2.gz RLXURLUQONFOMD-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630183 727348486 /nfs/dbraw/zinc/34/84/86/727348486.db2.gz KLNDHFGPJHOZAJ-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993906783 727557857 /nfs/dbraw/zinc/55/78/57/727557857.db2.gz SHDHBWKZJGIJTD-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993906783 727557860 /nfs/dbraw/zinc/55/78/60/727557860.db2.gz SHDHBWKZJGIJTD-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994269468 727706714 /nfs/dbraw/zinc/70/67/14/727706714.db2.gz PRVSKOXAILMKFL-RDJZCZTQSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994269468 727706715 /nfs/dbraw/zinc/70/67/15/727706715.db2.gz PRVSKOXAILMKFL-RDJZCZTQSA-N 2 1 330.476 2.697 20 30 EFEDMP COc1ccc(CCNC(NC[C@H]2CCC[N@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509500 727719542 /nfs/dbraw/zinc/71/95/42/727719542.db2.gz IQKFMIHJLVSZCZ-QGZVFWFLSA-N 2 1 346.519 2.666 20 30 EFEDMP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(C)C ZINC000917069224 727763806 /nfs/dbraw/zinc/76/38/06/727763806.db2.gz KYHWJCZRWARYQN-UHFFFAOYSA-N 2 1 343.515 2.926 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493684 727770804 /nfs/dbraw/zinc/77/08/04/727770804.db2.gz FCIVEUSHRQDTFL-YLJYHZDGSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994503357 727772853 /nfs/dbraw/zinc/77/28/53/727772853.db2.gz VHXDRASYZLPVDV-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503541 727772886 /nfs/dbraw/zinc/77/28/86/727772886.db2.gz WDXWTPNCQIHFNE-HKUYNNGSSA-N 2 1 347.547 2.737 20 30 EFEDMP C[NH+](C)CC#CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000913517772 727864071 /nfs/dbraw/zinc/86/40/71/727864071.db2.gz OUYFGOZPQJMODG-UHFFFAOYSA-N 2 1 349.478 2.613 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364828 728119487 /nfs/dbraw/zinc/11/94/87/728119487.db2.gz JTBPLUMVHVRQPM-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364828 728119490 /nfs/dbraw/zinc/11/94/90/728119490.db2.gz JTBPLUMVHVRQPM-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364828 728119493 /nfs/dbraw/zinc/11/94/93/728119493.db2.gz JTBPLUMVHVRQPM-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102491 728297875 /nfs/dbraw/zinc/29/78/75/728297875.db2.gz ZNVMWIKUAKEJEQ-HOCLYGCPSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942204368 728364587 /nfs/dbraw/zinc/36/45/87/728364587.db2.gz NTBFEWXWXMFOPE-PXAZEXFGSA-N 2 1 346.862 2.835 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942204368 728364589 /nfs/dbraw/zinc/36/45/89/728364589.db2.gz NTBFEWXWXMFOPE-PXAZEXFGSA-N 2 1 346.862 2.835 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000170903803 728493420 /nfs/dbraw/zinc/49/34/20/728493420.db2.gz ZPOIHNSPTSUOGO-MRXNPFEDSA-N 2 1 332.492 2.612 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000170913401 728495272 /nfs/dbraw/zinc/49/52/72/728495272.db2.gz OUZVAPAKBJXAAY-UHFFFAOYSA-N 2 1 332.492 2.754 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829349 728530654 /nfs/dbraw/zinc/53/06/54/728530654.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829349 728530656 /nfs/dbraw/zinc/53/06/56/728530656.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829349 728530658 /nfs/dbraw/zinc/53/06/58/728530658.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069848 729466626 /nfs/dbraw/zinc/46/66/26/729466626.db2.gz LAZWPDRVPRSGJA-MJGOQNOKSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070496 729475612 /nfs/dbraw/zinc/47/56/12/729475612.db2.gz PXWUQGZCFHZZAR-PXNSSMCTSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001574852640 1088120910 /nfs/dbraw/zinc/12/09/10/1088120910.db2.gz XHGURLUKVUIUMU-MSOLQXFVSA-N 2 1 349.906 2.825 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001574902767 1088144444 /nfs/dbraw/zinc/14/44/44/1088144444.db2.gz GGPDSDDYHQLYND-IBGZPJMESA-N 2 1 329.488 2.577 20 30 EFEDMP C=CC[C@@]1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574897207 1088145060 /nfs/dbraw/zinc/14/50/60/1088145060.db2.gz IBAGXJNSQMXGLE-FQEVSTJZSA-N 2 1 327.472 2.960 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001574903978 1088147147 /nfs/dbraw/zinc/14/71/47/1088147147.db2.gz YVVBGQKPWFETQP-NZSAHSFTSA-N 2 1 329.488 2.697 20 30 EFEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC001574944086 1088165747 /nfs/dbraw/zinc/16/57/47/1088165747.db2.gz XDEZZMGPITXKTF-TXEJJXNPSA-N 2 1 341.249 2.602 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448191 1092753824 /nfs/dbraw/zinc/75/38/24/1092753824.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448191 1092753828 /nfs/dbraw/zinc/75/38/28/1092753828.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448191 1092753831 /nfs/dbraw/zinc/75/38/31/1092753831.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449682 1092864224 /nfs/dbraw/zinc/86/42/24/1092864224.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449682 1092864236 /nfs/dbraw/zinc/86/42/36/1092864236.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449682 1092864247 /nfs/dbraw/zinc/86/42/47/1092864247.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458762 1093233182 /nfs/dbraw/zinc/23/31/82/1093233182.db2.gz PEZVJEXEEKZXSJ-QUCCMNQESA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461864 1093333221 /nfs/dbraw/zinc/33/32/21/1093333221.db2.gz VCLDHXXGTDHDPL-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020352 1094673600 /nfs/dbraw/zinc/67/36/00/1094673600.db2.gz AAQLZAZAMAXPAT-ICSRJNTNSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@H]21 ZINC001087295895 1095044649 /nfs/dbraw/zinc/04/46/49/1095044649.db2.gz PYMQDWHEGWTBJW-SQNIBIBYSA-N 2 1 338.455 2.739 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087302527 1095148424 /nfs/dbraw/zinc/14/84/24/1095148424.db2.gz VIEFXUQVUPWKLA-KURKYZTESA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087302528 1095148802 /nfs/dbraw/zinc/14/88/02/1095148802.db2.gz VIEFXUQVUPWKLA-KZNAEPCWSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306277 1095190976 /nfs/dbraw/zinc/19/09/76/1095190976.db2.gz GWVXAZAXRYUFLZ-NEWSRXKRSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167826068 1095215787 /nfs/dbraw/zinc/21/57/87/1095215787.db2.gz VWZZFOLSNAQMBL-KRWDZBQOSA-N 2 1 348.535 2.991 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309097 1095234991 /nfs/dbraw/zinc/23/49/91/1095234991.db2.gz ANFQOAOXHCIGKX-HOJAQTOUSA-N 2 1 347.547 2.900 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694058 1095622421 /nfs/dbraw/zinc/62/24/21/1095622421.db2.gz BKKWVWFUKLVPJU-SFHVURJKSA-N 2 1 333.520 2.540 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981963781 1095848276 /nfs/dbraw/zinc/84/82/76/1095848276.db2.gz MYDWVUCNWGTBAY-UHFFFAOYSA-N 2 1 343.515 2.905 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443352 1096633096 /nfs/dbraw/zinc/63/30/96/1096633096.db2.gz IHNGYDFWFXBFNW-WOJBJXKFSA-N 2 1 341.499 2.633 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481940456 1096970916 /nfs/dbraw/zinc/97/09/16/1096970916.db2.gz IAGNHUALAJAWQD-KRWDZBQOSA-N 2 1 329.916 2.591 20 30 EFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104802643 1098626690 /nfs/dbraw/zinc/62/66/90/1098626690.db2.gz IAUYTLXWWFWYNN-RTBURBONSA-N 2 1 335.536 2.596 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011737 /nfs/dbraw/zinc/01/17/37/1099011737.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011750 /nfs/dbraw/zinc/01/17/50/1099011750.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011763 /nfs/dbraw/zinc/01/17/63/1099011763.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105393874 1100336698 /nfs/dbraw/zinc/33/66/98/1100336698.db2.gz KBGSIUANDBKRDX-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105394453 1100417443 /nfs/dbraw/zinc/41/74/43/1100417443.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394453 1100417445 /nfs/dbraw/zinc/41/74/45/1100417445.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394453 1100417448 /nfs/dbraw/zinc/41/74/48/1100417448.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105395698 1100557429 /nfs/dbraw/zinc/55/74/29/1100557429.db2.gz DGUTYYZSCGQHPA-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395698 1100557437 /nfs/dbraw/zinc/55/74/37/1100557437.db2.gz DGUTYYZSCGQHPA-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395698 1100557441 /nfs/dbraw/zinc/55/74/41/1100557441.db2.gz DGUTYYZSCGQHPA-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602590 1100580148 /nfs/dbraw/zinc/58/01/48/1100580148.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602590 1100580152 /nfs/dbraw/zinc/58/01/52/1100580152.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602590 1100580155 /nfs/dbraw/zinc/58/01/55/1100580155.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602590 1100580159 /nfs/dbraw/zinc/58/01/59/1100580159.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602590 1100580163 /nfs/dbraw/zinc/58/01/63/1100580163.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621322 1100603796 /nfs/dbraw/zinc/60/37/96/1100603796.db2.gz QEGBWXPUAHTFFE-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762745 1100739272 /nfs/dbraw/zinc/73/92/72/1100739272.db2.gz LJFFUEVNAXDDNV-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966485 1101094994 /nfs/dbraw/zinc/09/49/94/1101094994.db2.gz FNNBPKQVHHXXCN-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971689 1101103014 /nfs/dbraw/zinc/10/30/14/1101103014.db2.gz NWGPKOXHMPSXIK-KSZLIROESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971689 1101103017 /nfs/dbraw/zinc/10/30/17/1101103017.db2.gz NWGPKOXHMPSXIK-KSZLIROESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088019803 1101205806 /nfs/dbraw/zinc/20/58/06/1101205806.db2.gz HCYFRUYOPFSNTB-SJORKVTESA-N 2 1 338.455 2.613 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208603553 1101398715 /nfs/dbraw/zinc/39/87/15/1101398715.db2.gz DJDJHRWBAWOSKC-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)CC1 ZINC001208603553 1101398730 /nfs/dbraw/zinc/39/87/30/1101398730.db2.gz DJDJHRWBAWOSKC-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)CC1 ZINC001208603553 1101398739 /nfs/dbraw/zinc/39/87/39/1101398739.db2.gz DJDJHRWBAWOSKC-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142041 1101664293 /nfs/dbraw/zinc/66/42/93/1101664293.db2.gz PKUIDLDJNOXKBI-UXHICEINSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217643 1101906678 /nfs/dbraw/zinc/90/66/78/1101906678.db2.gz QLMWLNZMXZTVAA-SJORKVTESA-N 2 1 345.487 2.701 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458596 1102002391 /nfs/dbraw/zinc/00/23/91/1102002391.db2.gz HPGJNDAVLGJRML-UHFFFAOYSA-N 2 1 332.492 2.814 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167236704 1102114285 /nfs/dbraw/zinc/11/42/85/1102114285.db2.gz PPTIAVMFGCSFJC-KRWDZBQOSA-N 2 1 344.503 2.596 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001167242833 1102130752 /nfs/dbraw/zinc/13/07/52/1102130752.db2.gz HLFXHUGRTYWHHS-UHFFFAOYSA-N 2 1 343.515 2.613 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264738 1102393948 /nfs/dbraw/zinc/39/39/48/1102393948.db2.gz CBVDNVRCWUBMJD-DJIMGWMZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291713 1102853393 /nfs/dbraw/zinc/85/33/93/1102853393.db2.gz RWNQCFFNNUEGEC-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291320 1102854559 /nfs/dbraw/zinc/85/45/59/1102854559.db2.gz MCYTUIDMEWQFSH-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291923 1102860019 /nfs/dbraw/zinc/86/00/19/1102860019.db2.gz ZWOAAGMEVUDFFH-KZNAEPCWSA-N 2 1 344.503 2.801 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001088314780 1102866541 /nfs/dbraw/zinc/86/65/41/1102866541.db2.gz GSCBPLZRLLZOBS-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317339 1102883101 /nfs/dbraw/zinc/88/31/01/1102883101.db2.gz ZARLQLIPYKBOQX-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001088338278 1103014722 /nfs/dbraw/zinc/01/47/22/1103014722.db2.gz AHJOLLVOQJKXKM-QGZVFWFLSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001088381116 1103320094 /nfs/dbraw/zinc/32/00/94/1103320094.db2.gz XDOYMAVPXVNZQB-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001088381260 1103336644 /nfs/dbraw/zinc/33/66/44/1103336644.db2.gz AOJIWBINZJAHSW-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396575 1103370031 /nfs/dbraw/zinc/37/00/31/1103370031.db2.gz VXPURSPEYKVGLE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396575 1103370041 /nfs/dbraw/zinc/37/00/41/1103370041.db2.gz VXPURSPEYKVGLE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396575 1103370054 /nfs/dbraw/zinc/37/00/54/1103370054.db2.gz VXPURSPEYKVGLE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396575 1103370064 /nfs/dbraw/zinc/37/00/64/1103370064.db2.gz VXPURSPEYKVGLE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065742 1103422128 /nfs/dbraw/zinc/42/21/28/1103422128.db2.gz GINWFEMLNBCPBL-SQGPQFPESA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065742 1103422136 /nfs/dbraw/zinc/42/21/36/1103422136.db2.gz GINWFEMLNBCPBL-SQGPQFPESA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991066670 1103454153 /nfs/dbraw/zinc/45/41/53/1103454153.db2.gz JQTRDJWOZINXBY-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991066670 1103454161 /nfs/dbraw/zinc/45/41/61/1103454161.db2.gz JQTRDJWOZINXBY-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991066670 1103454169 /nfs/dbraw/zinc/45/41/69/1103454169.db2.gz JQTRDJWOZINXBY-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001101591016 1104490792 /nfs/dbraw/zinc/49/07/92/1104490792.db2.gz ANMNYCIDJBRJSK-UHFFFAOYSA-N 2 1 335.536 2.596 20 30 EFEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536925 1105905540 /nfs/dbraw/zinc/90/55/40/1105905540.db2.gz KUFAEEUSUZBTRM-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544636 1105922443 /nfs/dbraw/zinc/92/24/43/1105922443.db2.gz OYKCUYOOGRQIQY-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105560876 1105938949 /nfs/dbraw/zinc/93/89/49/1105938949.db2.gz FBCQGSBESFYYSE-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563292 1105942629 /nfs/dbraw/zinc/94/26/29/1105942629.db2.gz IWYNHMZHMKPJLO-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577509 1105966187 /nfs/dbraw/zinc/96/61/87/1105966187.db2.gz WGGOTBIGDLCEES-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241309 1106487847 /nfs/dbraw/zinc/48/78/47/1106487847.db2.gz NEEBJIKMLARJPA-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241309 1106487850 /nfs/dbraw/zinc/48/78/50/1106487850.db2.gz NEEBJIKMLARJPA-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241309 1106487854 /nfs/dbraw/zinc/48/78/54/1106487854.db2.gz NEEBJIKMLARJPA-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243813 1106723179 /nfs/dbraw/zinc/72/31/79/1106723179.db2.gz BVMIRSLUWWUJGG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243813 1106723185 /nfs/dbraw/zinc/72/31/85/1106723185.db2.gz BVMIRSLUWWUJGG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243813 1106723192 /nfs/dbraw/zinc/72/31/92/1106723192.db2.gz BVMIRSLUWWUJGG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991015092 1106876248 /nfs/dbraw/zinc/87/62/48/1106876248.db2.gz BSQDDHIQLPAHTN-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991015092 1106876255 /nfs/dbraw/zinc/87/62/55/1106876255.db2.gz BSQDDHIQLPAHTN-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991015092 1106876266 /nfs/dbraw/zinc/87/62/66/1106876266.db2.gz BSQDDHIQLPAHTN-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089059088 1107378956 /nfs/dbraw/zinc/37/89/56/1107378956.db2.gz YYPNKIRXVNAUNU-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345746 1107389225 /nfs/dbraw/zinc/38/92/25/1107389225.db2.gz STESGZUSMVFCLS-GOSISDBHSA-N 2 1 329.488 2.742 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040265290 1108418396 /nfs/dbraw/zinc/41/83/96/1108418396.db2.gz XXBRDNHPJNNGQM-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265290 1108418412 /nfs/dbraw/zinc/41/84/12/1108418412.db2.gz XXBRDNHPJNNGQM-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265290 1108418425 /nfs/dbraw/zinc/41/84/25/1108418425.db2.gz XXBRDNHPJNNGQM-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265290 1108418436 /nfs/dbraw/zinc/41/84/36/1108418436.db2.gz XXBRDNHPJNNGQM-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106134476 1108561138 /nfs/dbraw/zinc/56/11/38/1108561138.db2.gz XGPWWPMFRGPAEQ-FGTMMUONSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150948 1108658472 /nfs/dbraw/zinc/65/84/72/1108658472.db2.gz IQQOBQLZIJWYCM-IXDOHACOSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040282700 1108696169 /nfs/dbraw/zinc/69/61/69/1108696169.db2.gz YMEAEFMSCWTOSF-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248396 1111216499 /nfs/dbraw/zinc/21/64/99/1111216499.db2.gz OCFMGWMVSXCPRV-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249803 1111218764 /nfs/dbraw/zinc/21/87/64/1111218764.db2.gz QNSGQTXTPUFFFR-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C\CCC)[C@H](C)C1 ZINC001106266457 1111260483 /nfs/dbraw/zinc/26/04/83/1111260483.db2.gz KWKWZTODNGQDHY-QSMUSEHHSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C\CCC)[C@H](C)C1 ZINC001106266457 1111260485 /nfs/dbraw/zinc/26/04/85/1111260485.db2.gz KWKWZTODNGQDHY-QSMUSEHHSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106358146 1111455293 /nfs/dbraw/zinc/45/52/93/1111455293.db2.gz WDEUTBXEDAYXEM-DJIMGWMZSA-N 2 1 341.927 2.543 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229251 1111563726 /nfs/dbraw/zinc/56/37/26/1111563726.db2.gz ICMLIISLKLXSAO-QZTJIDSGSA-N 2 1 335.536 2.737 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666813 1111709219 /nfs/dbraw/zinc/70/92/19/1111709219.db2.gz WNBTXAHBLVFHMC-GUDVDZBRSA-N 2 1 337.552 2.983 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398723 1112067314 /nfs/dbraw/zinc/06/73/14/1112067314.db2.gz LWCGUBWIRHZONA-MRXNPFEDSA-N 2 1 347.528 2.663 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406191 1112077118 /nfs/dbraw/zinc/07/71/18/1112077118.db2.gz IJNQEOKOORLXAM-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406191 1112077124 /nfs/dbraw/zinc/07/71/24/1112077124.db2.gz IJNQEOKOORLXAM-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089406191 1112077128 /nfs/dbraw/zinc/07/71/28/1112077128.db2.gz IJNQEOKOORLXAM-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406589 1112077975 /nfs/dbraw/zinc/07/79/75/1112077975.db2.gz NXXBBWAYTFXTTP-HKUYNNGSSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406589 1112077979 /nfs/dbraw/zinc/07/79/79/1112077979.db2.gz NXXBBWAYTFXTTP-HKUYNNGSSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406589 1112077981 /nfs/dbraw/zinc/07/79/81/1112077981.db2.gz NXXBBWAYTFXTTP-HKUYNNGSSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)CC(C)(C)C1 ZINC001089407427 1112080653 /nfs/dbraw/zinc/08/06/53/1112080653.db2.gz ZJDSLHNOMSPQPJ-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407427 1112080656 /nfs/dbraw/zinc/08/06/56/1112080656.db2.gz ZJDSLHNOMSPQPJ-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407427 1112080660 /nfs/dbraw/zinc/08/06/60/1112080660.db2.gz ZJDSLHNOMSPQPJ-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089411344 1112087073 /nfs/dbraw/zinc/08/70/73/1112087073.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089411344 1112087077 /nfs/dbraw/zinc/08/70/77/1112087077.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424860 1112113481 /nfs/dbraw/zinc/11/34/81/1112113481.db2.gz ZNTIVLDVMGYPLV-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424860 1112113482 /nfs/dbraw/zinc/11/34/82/1112113482.db2.gz ZNTIVLDVMGYPLV-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427151 1112116682 /nfs/dbraw/zinc/11/66/82/1112116682.db2.gz OLQOHMVZCOXYJD-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427151 1112116684 /nfs/dbraw/zinc/11/66/84/1112116684.db2.gz OLQOHMVZCOXYJD-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427151 1112116686 /nfs/dbraw/zinc/11/66/86/1112116686.db2.gz OLQOHMVZCOXYJD-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430376 1112122029 /nfs/dbraw/zinc/12/20/29/1112122029.db2.gz MCCOJHIBDRGION-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430459 1112122065 /nfs/dbraw/zinc/12/20/65/1112122065.db2.gz NCZVFHYDOSNCBX-INIZCTEOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)CC(C)(C)C1 ZINC001089472661 1112193452 /nfs/dbraw/zinc/19/34/52/1112193452.db2.gz MIJUEDGWFJEGHZ-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472661 1112193454 /nfs/dbraw/zinc/19/34/54/1112193454.db2.gz MIJUEDGWFJEGHZ-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472661 1112193455 /nfs/dbraw/zinc/19/34/55/1112193455.db2.gz MIJUEDGWFJEGHZ-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488828 1112221478 /nfs/dbraw/zinc/22/14/78/1112221478.db2.gz YMVXYJIEPAWLTH-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488828 1112221479 /nfs/dbraw/zinc/22/14/79/1112221479.db2.gz YMVXYJIEPAWLTH-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488828 1112221480 /nfs/dbraw/zinc/22/14/80/1112221480.db2.gz YMVXYJIEPAWLTH-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506454 1112248163 /nfs/dbraw/zinc/24/81/63/1112248163.db2.gz KLLSSOHRPORGOM-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506454 1112248166 /nfs/dbraw/zinc/24/81/66/1112248166.db2.gz KLLSSOHRPORGOM-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255955 /nfs/dbraw/zinc/25/59/55/1112255955.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255957 /nfs/dbraw/zinc/25/59/57/1112255957.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255960 /nfs/dbraw/zinc/25/59/60/1112255960.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089520189 1112266551 /nfs/dbraw/zinc/26/65/51/1112266551.db2.gz SGEUKRPZSLMHLL-IBGZPJMESA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538292 1112283265 /nfs/dbraw/zinc/28/32/65/1112283265.db2.gz ALBFSAQMRMRRSL-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089538896 1112284292 /nfs/dbraw/zinc/28/42/92/1112284292.db2.gz GYIYTQUHHABLTB-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089538896 1112284294 /nfs/dbraw/zinc/28/42/94/1112284294.db2.gz GYIYTQUHHABLTB-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649513 1112475689 /nfs/dbraw/zinc/47/56/89/1112475689.db2.gz KPEJZDYLJTUFOD-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649513 1112475690 /nfs/dbraw/zinc/47/56/90/1112475690.db2.gz KPEJZDYLJTUFOD-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089654377 1112530020 /nfs/dbraw/zinc/53/00/20/1112530020.db2.gz XYQANQKPDOQOLU-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663158 1112605047 /nfs/dbraw/zinc/60/50/47/1112605047.db2.gz HWYHHHFJWHLLIZ-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663158 1112605051 /nfs/dbraw/zinc/60/50/51/1112605051.db2.gz HWYHHHFJWHLLIZ-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719300 1112939355 /nfs/dbraw/zinc/93/93/55/1112939355.db2.gz AUXPVOWDYRAETQ-LJQANCHMSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099497839 1118621347 /nfs/dbraw/zinc/62/13/47/1118621347.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497839 1118621349 /nfs/dbraw/zinc/62/13/49/1118621349.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497839 1118621354 /nfs/dbraw/zinc/62/13/54/1118621354.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364822 1118729768 /nfs/dbraw/zinc/72/97/68/1118729768.db2.gz JTBPLUMVHVRQPM-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364822 1118729771 /nfs/dbraw/zinc/72/97/71/1118729771.db2.gz JTBPLUMVHVRQPM-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364822 1118729773 /nfs/dbraw/zinc/72/97/73/1118729773.db2.gz JTBPLUMVHVRQPM-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942528987 1118929757 /nfs/dbraw/zinc/92/97/57/1118929757.db2.gz CWIYMIIFQVOKLN-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474536 1119047942 /nfs/dbraw/zinc/04/79/42/1119047942.db2.gz VTABRQIEPSWGKB-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942722892 1119086596 /nfs/dbraw/zinc/08/65/96/1119086596.db2.gz PQNGBDQAYXSGFI-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518506 1119532799 /nfs/dbraw/zinc/53/27/99/1119532799.db2.gz SYKQYGHWNDPNLE-KDOFPFPSSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518506 1119532801 /nfs/dbraw/zinc/53/28/01/1119532801.db2.gz SYKQYGHWNDPNLE-KDOFPFPSSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047092 1119893991 /nfs/dbraw/zinc/89/39/91/1119893991.db2.gz NTCOTYWIPJGIAI-YLJYHZDGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072500 1120261597 /nfs/dbraw/zinc/26/15/97/1120261597.db2.gz RTMVPMLNBVPAMW-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072500 1120261601 /nfs/dbraw/zinc/26/16/01/1120261601.db2.gz RTMVPMLNBVPAMW-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029127 1120520735 /nfs/dbraw/zinc/52/07/35/1120520735.db2.gz QQMDVHAQGOUGQA-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C[N@@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181709293 529917135 /nfs/dbraw/zinc/91/71/35/529917135.db2.gz ZFZWCBFJURVTCZ-UHFFFAOYSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS[C@H](CC)C1 ZINC000262047817 535262657 /nfs/dbraw/zinc/26/26/57/535262657.db2.gz ZFKKWWHNKBKCKB-DLBZAZTESA-N 2 1 340.581 2.900 20 30 EFEDMP C=C1CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264515331 201211547 /nfs/dbraw/zinc/21/15/47/201211547.db2.gz YWBCGZUOOHLCJF-SFHVURJKSA-N 2 1 341.499 2.808 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000264943612 201214444 /nfs/dbraw/zinc/21/44/44/201214444.db2.gz HIUXLVCDZNPJLT-UHFFFAOYSA-N 2 1 343.515 2.596 20 30 EFEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000269697413 201232411 /nfs/dbraw/zinc/23/24/11/201232411.db2.gz LKCRUJOUEMGZAI-HXUWFJFHSA-N 2 1 341.499 2.909 20 30 EFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000161962280 239082281 /nfs/dbraw/zinc/08/22/81/239082281.db2.gz JTMCYWOEIGBZQV-FQEVSTJZSA-N 2 1 337.471 2.854 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195291376 240215586 /nfs/dbraw/zinc/21/55/86/240215586.db2.gz RGUPCIDYCMOTIB-QGZVFWFLSA-N 2 1 338.455 2.944 20 30 EFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCSC2(CCCCC2)C1 ZINC000261912827 240329432 /nfs/dbraw/zinc/32/94/32/240329432.db2.gz JMBRRROOVWQBOY-UHFFFAOYSA-N 2 1 335.521 2.519 20 30 EFEDMP CC[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261863270 240330402 /nfs/dbraw/zinc/33/04/02/240330402.db2.gz ZPCAMCWVAPMDMJ-BXUZGUMPSA-N 2 1 340.924 2.939 20 30 EFEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264065682 240397539 /nfs/dbraw/zinc/39/75/39/240397539.db2.gz BCPDGAMSXZYHTH-NSHDSACASA-N 2 1 330.354 2.654 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354543652 242004499 /nfs/dbraw/zinc/00/44/99/242004499.db2.gz XWKFINNMQGCBGD-MISYRCLQSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354543652 242004506 /nfs/dbraw/zinc/00/45/06/242004506.db2.gz XWKFINNMQGCBGD-MISYRCLQSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354543652 242004513 /nfs/dbraw/zinc/00/45/13/242004513.db2.gz XWKFINNMQGCBGD-MISYRCLQSA-N 2 1 346.515 2.959 20 30 EFEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074131 242088408 /nfs/dbraw/zinc/08/84/08/242088408.db2.gz FWLLHHAIPODBMQ-KRWDZBQOSA-N 2 1 348.535 2.581 20 30 EFEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000361459950 242223244 /nfs/dbraw/zinc/22/32/44/242223244.db2.gz OOMPRLFGNVHSGA-HKUYNNGSSA-N 2 1 345.487 2.816 20 30 EFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072823579 203246474 /nfs/dbraw/zinc/24/64/74/203246474.db2.gz BERMQAYYADNILH-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063512 250155142 /nfs/dbraw/zinc/15/51/42/250155142.db2.gz WSNNATQTDAZIGE-JKSUJKDBSA-N 2 1 335.517 2.712 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443074343 250158487 /nfs/dbraw/zinc/15/84/87/250158487.db2.gz QPTIGDIUUSYXCR-HNNXBMFYSA-N 2 1 333.501 2.964 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443074343 250158491 /nfs/dbraw/zinc/15/84/91/250158491.db2.gz QPTIGDIUUSYXCR-HNNXBMFYSA-N 2 1 333.501 2.964 20 30 EFEDMP C=CC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450059743 251246281 /nfs/dbraw/zinc/24/62/81/251246281.db2.gz LHBRTHLGHDRMPQ-UHFFFAOYSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000294079271 533185302 /nfs/dbraw/zinc/18/53/02/533185302.db2.gz QWYAIVTUWWYUOR-YOFSQIOKSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000294079271 533185305 /nfs/dbraw/zinc/18/53/05/533185305.db2.gz QWYAIVTUWWYUOR-YOFSQIOKSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000294079271 533185308 /nfs/dbraw/zinc/18/53/08/533185308.db2.gz QWYAIVTUWWYUOR-YOFSQIOKSA-N 2 1 342.483 2.772 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349082760 285251048 /nfs/dbraw/zinc/25/10/48/285251048.db2.gz XNYSTUSCMXYUJH-GOSISDBHSA-N 2 1 332.467 2.545 20 30 EFEDMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000343936971 145328210 /nfs/dbraw/zinc/32/82/10/145328210.db2.gz PFOYVYDAFPRDNW-CQSZACIVSA-N 2 1 342.418 2.884 20 30 EFEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C#N)c1F ZINC000344148506 145379857 /nfs/dbraw/zinc/37/98/57/145379857.db2.gz RHVCENZQVYDSEY-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C#N)c1F ZINC000344148506 145379858 /nfs/dbraw/zinc/37/98/58/145379858.db2.gz RHVCENZQVYDSEY-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942580 149280270 /nfs/dbraw/zinc/28/02/70/149280270.db2.gz IKMAUWVKRAGYAB-RTBURBONSA-N 2 1 335.455 2.675 20 30 EFEDMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942580 149280272 /nfs/dbraw/zinc/28/02/72/149280272.db2.gz IKMAUWVKRAGYAB-RTBURBONSA-N 2 1 335.455 2.675 20 30 EFEDMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942578 149280361 /nfs/dbraw/zinc/28/03/61/149280361.db2.gz IKMAUWVKRAGYAB-OALUTQOASA-N 2 1 335.455 2.675 20 30 EFEDMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942578 149280364 /nfs/dbraw/zinc/28/03/64/149280364.db2.gz IKMAUWVKRAGYAB-OALUTQOASA-N 2 1 335.455 2.675 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccnc1C#N ZINC000368114257 150041568 /nfs/dbraw/zinc/04/15/68/150041568.db2.gz NZJWKFASAZUJDM-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cn1 ZINC000374199687 151299803 /nfs/dbraw/zinc/29/98/03/151299803.db2.gz KOAJLLYKNQGYMA-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C[N@H+]1CCCC[C@@H]1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364207 /nfs/dbraw/zinc/36/42/07/151364207.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 2 1 326.488 2.945 20 30 EFEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364208 /nfs/dbraw/zinc/36/42/08/151364208.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 2 1 326.488 2.945 20 30 EFEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364210 /nfs/dbraw/zinc/36/42/10/151364210.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 2 1 326.488 2.945 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142472 287355787 /nfs/dbraw/zinc/35/57/87/287355787.db2.gz YHJQCOMXABQZTJ-APWZRJJASA-N 2 1 342.487 2.556 20 30 EFEDMP CC[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000285744401 266397608 /nfs/dbraw/zinc/39/76/08/266397608.db2.gz RGQOLTKSJIQKPJ-LJQANCHMSA-N 2 1 326.488 2.991 20 30 EFEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272087404 267655654 /nfs/dbraw/zinc/65/56/54/267655654.db2.gz CHEAWUOHULRGLG-UHFFFAOYSA-N 2 1 334.427 2.644 20 30 EFEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000271547711 268165050 /nfs/dbraw/zinc/16/50/50/268165050.db2.gz RTZQHOAOWDMVSZ-IAFLDTSXSA-N 2 1 340.471 2.860 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347185 288079551 /nfs/dbraw/zinc/07/95/51/288079551.db2.gz STXNWWDUTPTXAM-UWWQBHOKSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347185 288079552 /nfs/dbraw/zinc/07/95/52/288079552.db2.gz STXNWWDUTPTXAM-UWWQBHOKSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160160200 300217792 /nfs/dbraw/zinc/21/77/92/300217792.db2.gz STXNWWDUTPTXAM-LESCRADOSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160160200 300217794 /nfs/dbraw/zinc/21/77/94/300217794.db2.gz STXNWWDUTPTXAM-LESCRADOSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083030187 473314961 /nfs/dbraw/zinc/31/49/61/473314961.db2.gz PAWDYSLQYABYNV-NVXWUHKLSA-N 2 1 330.476 2.679 20 30 EFEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113340165 473385803 /nfs/dbraw/zinc/38/58/03/473385803.db2.gz FDRFDMWAZNATOO-QGZVFWFLSA-N 2 1 337.471 2.895 20 30 EFEDMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000116395963 472400060 /nfs/dbraw/zinc/40/00/60/472400060.db2.gz AISNUIHNIZXXSR-YOEHRIQHSA-N 2 1 330.476 2.841 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843965 472484191 /nfs/dbraw/zinc/48/41/91/472484191.db2.gz BLBYUHIBWBPFSK-QGZVFWFLSA-N 2 1 329.488 2.521 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000103337626 472627331 /nfs/dbraw/zinc/62/73/31/472627331.db2.gz VLUALIIPKSPKPS-HNNXBMFYSA-N 2 1 332.473 2.843 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104178962 472659917 /nfs/dbraw/zinc/65/99/17/472659917.db2.gz UIPUHJRTLQZMPT-CQSZACIVSA-N 2 1 348.491 2.941 20 30 EFEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104172504 472660004 /nfs/dbraw/zinc/66/00/04/472660004.db2.gz HGEQRNMDYWRWLJ-LLVKDONJSA-N 2 1 342.365 2.796 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC1 ZINC000104192963 472661058 /nfs/dbraw/zinc/66/10/58/472661058.db2.gz BFHSNCAXUZFUNP-JTQLQIEISA-N 2 1 330.354 2.795 20 30 EFEDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000121657010 472886345 /nfs/dbraw/zinc/88/63/45/472886345.db2.gz SNFPTHZJYSZPIQ-UHFFFAOYSA-N 2 1 348.878 2.814 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000158103438 472892945 /nfs/dbraw/zinc/89/29/45/472892945.db2.gz LSTQQAFQMDDOPF-HDICACEKSA-N 2 1 344.474 2.998 20 30 EFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)n(C)c3)CC2)oc1C ZINC000191010672 473455462 /nfs/dbraw/zinc/45/54/62/473455462.db2.gz GHCZSNBHLKUUDV-UHFFFAOYSA-N 2 1 341.459 2.503 20 30 EFEDMP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697078 473490726 /nfs/dbraw/zinc/49/07/26/473490726.db2.gz PHYRUFBBZAGJCJ-QSFXBCCZSA-N 2 1 327.472 2.834 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728146 473499139 /nfs/dbraw/zinc/49/91/39/473499139.db2.gz MOGXIJOXOLAPSA-NVXWUHKLSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728146 473499144 /nfs/dbraw/zinc/49/91/44/473499144.db2.gz MOGXIJOXOLAPSA-NVXWUHKLSA-N 2 1 340.471 2.739 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954889 473557651 /nfs/dbraw/zinc/55/76/51/473557651.db2.gz DLWKNWGDWDHRDG-GJZGRUSLSA-N 2 1 342.409 2.721 20 30 EFEDMP CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488701 473568431 /nfs/dbraw/zinc/56/84/31/473568431.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 1 346.500 2.514 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000153040448 473605175 /nfs/dbraw/zinc/60/51/75/473605175.db2.gz WJGNCKWYSVBKJM-NQIIRXRSSA-N 2 1 342.531 2.922 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172575436 473645515 /nfs/dbraw/zinc/64/55/15/473645515.db2.gz LUSDXHSMQGYQDS-IBGZPJMESA-N 2 1 340.471 2.837 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287581107 473701862 /nfs/dbraw/zinc/70/18/62/473701862.db2.gz HJMPTJZYEWQMDJ-INIZCTEOSA-N 2 1 325.460 2.958 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000274250813 473771853 /nfs/dbraw/zinc/77/18/53/473771853.db2.gz YWLABOGUESIRPT-YSTOQKLRSA-N 2 1 327.472 2.541 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000274250813 473771858 /nfs/dbraw/zinc/77/18/58/473771858.db2.gz YWLABOGUESIRPT-YSTOQKLRSA-N 2 1 327.472 2.541 20 30 EFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246282989 473815574 /nfs/dbraw/zinc/81/55/74/473815574.db2.gz BBDBYLNSFPTGAI-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246282989 473815588 /nfs/dbraw/zinc/81/55/88/473815588.db2.gz BBDBYLNSFPTGAI-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246282989 473815597 /nfs/dbraw/zinc/81/55/97/473815597.db2.gz BBDBYLNSFPTGAI-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP COc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1C#N ZINC000281845080 473857186 /nfs/dbraw/zinc/85/71/86/473857186.db2.gz YQEXUHWRRHKTQR-UHFFFAOYSA-N 2 1 331.460 2.546 20 30 EFEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936322 473889839 /nfs/dbraw/zinc/88/98/39/473889839.db2.gz IMYBCXOYHSLMKJ-APWZRJJASA-N 2 1 338.455 2.596 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173794123 473932146 /nfs/dbraw/zinc/93/21/46/473932146.db2.gz GPNOVJKJFWSAPN-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCCCC1 ZINC000264070163 473947522 /nfs/dbraw/zinc/94/75/22/473947522.db2.gz CYABTJSBISAEQQ-SFHVURJKSA-N 2 1 328.504 2.788 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000264115539 473950859 /nfs/dbraw/zinc/95/08/59/473950859.db2.gz SLGINBOPONFIRK-UHFFFAOYSA-N 2 1 345.535 2.566 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000264115539 473950864 /nfs/dbraw/zinc/95/08/64/473950864.db2.gz SLGINBOPONFIRK-UHFFFAOYSA-N 2 1 345.535 2.566 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000264115539 473950870 /nfs/dbraw/zinc/95/08/70/473950870.db2.gz SLGINBOPONFIRK-UHFFFAOYSA-N 2 1 345.535 2.566 20 30 EFEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)CCO1 ZINC000264132787 473952872 /nfs/dbraw/zinc/95/28/72/473952872.db2.gz YOQRJAGYDQPVTG-MRXNPFEDSA-N 2 1 344.503 2.644 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)CCO1 ZINC000264132787 473952884 /nfs/dbraw/zinc/95/28/84/473952884.db2.gz YOQRJAGYDQPVTG-MRXNPFEDSA-N 2 1 344.503 2.644 20 30 EFEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000264248132 473957927 /nfs/dbraw/zinc/95/79/27/473957927.db2.gz GMITVEOZYLWHPN-UHFFFAOYSA-N 2 1 330.354 2.796 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180989357 473996136 /nfs/dbraw/zinc/99/61/36/473996136.db2.gz MXOLDHIMTFNBRM-NRFANRHFSA-N 2 1 335.451 2.805 20 30 EFEDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181696891 474058510 /nfs/dbraw/zinc/05/85/10/474058510.db2.gz OGEAEHLMHIESKD-KRWDZBQOSA-N 2 1 344.503 2.513 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622834 474218757 /nfs/dbraw/zinc/21/87/57/474218757.db2.gz VAHXIDVIFXXFSR-DLBZAZTESA-N 2 1 348.535 2.589 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996276 474531400 /nfs/dbraw/zinc/53/14/00/474531400.db2.gz DISSSYZJQNNITI-BEFAXECRSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996276 474531407 /nfs/dbraw/zinc/53/14/07/474531407.db2.gz DISSSYZJQNNITI-BEFAXECRSA-N 2 1 333.451 2.924 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC000290052961 474541243 /nfs/dbraw/zinc/54/12/43/474541243.db2.gz DOWQPDKIDVEOMC-HKUYNNGSSA-N 2 1 344.503 2.569 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249466560 474576993 /nfs/dbraw/zinc/57/69/93/474576993.db2.gz SNTXSLBAIVYNHA-FXAWDEMLSA-N 2 1 345.487 2.664 20 30 EFEDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCCCC#N ZINC000271922537 474597884 /nfs/dbraw/zinc/59/78/84/474597884.db2.gz UTQHQNNZYLKSQM-UHFFFAOYSA-N 2 1 329.444 2.729 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000267392630 474665179 /nfs/dbraw/zinc/66/51/79/474665179.db2.gz DFNJGKDUIMUNIE-UHFFFAOYSA-N 2 1 338.455 2.521 20 30 EFEDMP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000337156221 474744357 /nfs/dbraw/zinc/74/43/57/474744357.db2.gz ADHTWYNXZMUGPL-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000337221326 474795465 /nfs/dbraw/zinc/79/54/65/474795465.db2.gz LFKNSIBIGOMTMA-UHFFFAOYSA-N 2 1 348.878 2.958 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509638 475015067 /nfs/dbraw/zinc/01/50/67/475015067.db2.gz HWSPJYCJFIXICJ-QHAWAJNXSA-N 2 1 338.499 2.571 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509638 475015075 /nfs/dbraw/zinc/01/50/75/475015075.db2.gz HWSPJYCJFIXICJ-QHAWAJNXSA-N 2 1 338.499 2.571 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285520412 475028603 /nfs/dbraw/zinc/02/86/03/475028603.db2.gz BEDZCDQQSZAQRK-INIZCTEOSA-N 2 1 325.460 2.958 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000295087302 475103370 /nfs/dbraw/zinc/10/33/70/475103370.db2.gz UNUIYJBDSXMUST-OALUTQOASA-N 2 1 328.456 2.713 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000295087302 475103375 /nfs/dbraw/zinc/10/33/75/475103375.db2.gz UNUIYJBDSXMUST-OALUTQOASA-N 2 1 328.456 2.713 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326919 475233183 /nfs/dbraw/zinc/23/31/83/475233183.db2.gz XKYWBRMJUFHXLM-WDYCEAGBSA-N 2 1 344.478 2.986 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342110328 475557539 /nfs/dbraw/zinc/55/75/39/475557539.db2.gz SAPHURYFINHFJX-CWLKWCNXSA-N 2 1 347.528 2.710 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342707503 475629545 /nfs/dbraw/zinc/62/95/45/475629545.db2.gz MUHLBSUSDYNRHG-KDURUIRLSA-N 2 1 340.515 2.743 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342707503 475629553 /nfs/dbraw/zinc/62/95/53/475629553.db2.gz MUHLBSUSDYNRHG-KDURUIRLSA-N 2 1 340.515 2.743 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000344240083 476172785 /nfs/dbraw/zinc/17/27/85/476172785.db2.gz OUHZPTXVXUFLDL-UHFFFAOYSA-N 2 1 346.471 2.759 20 30 EFEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360838622 476419948 /nfs/dbraw/zinc/41/99/48/476419948.db2.gz UZDUFMVNMKVHPY-HXUWFJFHSA-N 2 1 327.472 2.762 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430583439 476868662 /nfs/dbraw/zinc/86/86/62/476868662.db2.gz SFNGNJIJZBBTDH-OWCLPIDISA-N 2 1 335.517 2.710 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430583439 476868669 /nfs/dbraw/zinc/86/86/69/476868669.db2.gz SFNGNJIJZBBTDH-OWCLPIDISA-N 2 1 335.517 2.710 20 30 EFEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1c[nH+]ccc1N ZINC000422975277 476873652 /nfs/dbraw/zinc/87/36/52/476873652.db2.gz GKIFUAFHZRQOAZ-DZGCQCFKSA-N 2 1 339.418 2.825 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370708526 476945251 /nfs/dbraw/zinc/94/52/51/476945251.db2.gz QBGPLKUDJBJPFD-RXVVDRJESA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370708526 476945260 /nfs/dbraw/zinc/94/52/60/476945260.db2.gz QBGPLKUDJBJPFD-RXVVDRJESA-N 2 1 343.515 2.709 20 30 EFEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000432366123 477203390 /nfs/dbraw/zinc/20/33/90/477203390.db2.gz BSVPEMOLAYQVCV-SFHVURJKSA-N 2 1 345.487 2.960 20 30 EFEDMP C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421607 477229639 /nfs/dbraw/zinc/22/96/39/477229639.db2.gz BFCDDXCGIVGOBI-SFHVURJKSA-N 2 1 332.536 2.951 20 30 EFEDMP C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411419622 477229884 /nfs/dbraw/zinc/22/98/84/477229884.db2.gz TXOMTHLJZSPHGP-OALUTQOASA-N 2 1 332.536 2.808 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424132549 477303320 /nfs/dbraw/zinc/30/33/20/477303320.db2.gz KWPJQZXEXQVTIW-QFBILLFUSA-N 2 1 342.487 2.698 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424132544 477303619 /nfs/dbraw/zinc/30/36/19/477303619.db2.gz KWPJQZXEXQVTIW-APWZRJJASA-N 2 1 342.487 2.698 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139355 477305455 /nfs/dbraw/zinc/30/54/55/477305455.db2.gz VDJBNPCBCDIDRQ-QFBILLFUSA-N 2 1 342.487 2.556 20 30 EFEDMP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160151 477313660 /nfs/dbraw/zinc/31/36/60/477313660.db2.gz TUUPYKDMLMGCTQ-QXAKKESOSA-N 2 1 342.487 2.692 20 30 EFEDMP C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000411681404 477325421 /nfs/dbraw/zinc/32/54/21/477325421.db2.gz YYZSYOQJAFXNRS-HXUWFJFHSA-N 2 1 341.499 2.891 20 30 EFEDMP C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000411681401 477325776 /nfs/dbraw/zinc/32/57/76/477325776.db2.gz YYZSYOQJAFXNRS-FQEVSTJZSA-N 2 1 341.499 2.891 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371469359 477339809 /nfs/dbraw/zinc/33/98/09/477339809.db2.gz FDWUGLYQZMWNKF-DFQSSKMNSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371469359 477339811 /nfs/dbraw/zinc/33/98/11/477339811.db2.gz FDWUGLYQZMWNKF-DFQSSKMNSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398900 477749243 /nfs/dbraw/zinc/74/92/43/477749243.db2.gz HEFQGXLQMBCXDG-HRCADAONSA-N 2 1 335.517 2.568 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398900 477749249 /nfs/dbraw/zinc/74/92/49/477749249.db2.gz HEFQGXLQMBCXDG-HRCADAONSA-N 2 1 335.517 2.568 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773928 /nfs/dbraw/zinc/77/39/28/477773928.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773933 /nfs/dbraw/zinc/77/39/33/477773933.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773938 /nfs/dbraw/zinc/77/39/38/477773938.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773942 /nfs/dbraw/zinc/77/39/42/477773942.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 2 1 334.467 2.851 20 30 EFEDMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(C#N)cs2)c2ccccc2)CC1 ZINC000530879488 477891061 /nfs/dbraw/zinc/89/10/61/477891061.db2.gz SYSFASVKUGSHEK-IBGZPJMESA-N 2 1 340.496 2.698 20 30 EFEDMP C=CCCCCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523903 478065803 /nfs/dbraw/zinc/06/58/03/478065803.db2.gz BFMUQFRXYSLRKF-FQEVSTJZSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523903 478065810 /nfs/dbraw/zinc/06/58/10/478065810.db2.gz BFMUQFRXYSLRKF-FQEVSTJZSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523903 478065816 /nfs/dbraw/zinc/06/58/16/478065816.db2.gz BFMUQFRXYSLRKF-FQEVSTJZSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523903 478065825 /nfs/dbraw/zinc/06/58/25/478065825.db2.gz BFMUQFRXYSLRKF-FQEVSTJZSA-N 2 1 335.536 2.999 20 30 EFEDMP Cc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1C#N ZINC000488109965 478119763 /nfs/dbraw/zinc/11/97/63/478119763.db2.gz LLVQLINJEJWIFQ-UHFFFAOYSA-N 2 1 340.515 2.857 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000441245939 478203082 /nfs/dbraw/zinc/20/30/82/478203082.db2.gz OCULWRLNOUTXOY-YQVWRLOYSA-N 2 1 348.535 2.609 20 30 EFEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489400970 478241592 /nfs/dbraw/zinc/24/15/92/478241592.db2.gz LAYZPOVQRJABNX-FQEVSTJZSA-N 2 1 341.499 2.939 20 30 EFEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000521860406 478379461 /nfs/dbraw/zinc/37/94/61/478379461.db2.gz NSRPXZGYJCQAGV-UHFFFAOYSA-N 2 1 342.487 2.636 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+]CC(C)(C)CCC#N)c2cccs2)CC1 ZINC000525180365 478391900 /nfs/dbraw/zinc/39/19/00/478391900.db2.gz YVTDODWDFNNGEY-MRXNPFEDSA-N 2 1 334.533 2.956 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000525422765 478393890 /nfs/dbraw/zinc/39/38/90/478393890.db2.gz PXAQJKUJQKFDCB-UHFFFAOYSA-N 2 1 345.487 2.998 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594501446 478414177 /nfs/dbraw/zinc/41/41/77/478414177.db2.gz WKBAMAAILYUUOQ-ICSRJNTNSA-N 2 1 325.456 2.779 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491210063 478471960 /nfs/dbraw/zinc/47/19/60/478471960.db2.gz PKSOICXWHSEYGW-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491210063 478471964 /nfs/dbraw/zinc/47/19/64/478471964.db2.gz PKSOICXWHSEYGW-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582322 478584437 /nfs/dbraw/zinc/58/44/37/478584437.db2.gz HXPVBXSXOLJBCN-FQEVSTJZSA-N 2 1 338.499 2.787 20 30 EFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000564440659 478742879 /nfs/dbraw/zinc/74/28/79/478742879.db2.gz VTJOMJGZNSDMIQ-FCHUYYIVSA-N 2 1 346.478 2.872 20 30 EFEDMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583426644 478850118 /nfs/dbraw/zinc/85/01/18/478850118.db2.gz RIEYAEDSWUWCPU-QGZVFWFLSA-N 2 1 337.471 2.780 20 30 EFEDMP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000598597282 478918447 /nfs/dbraw/zinc/91/84/47/478918447.db2.gz ZASSFSLRSLDACB-IBGZPJMESA-N 2 1 329.488 2.884 20 30 EFEDMP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000598597282 478918454 /nfs/dbraw/zinc/91/84/54/478918454.db2.gz ZASSFSLRSLDACB-IBGZPJMESA-N 2 1 329.488 2.884 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000598614569 478926237 /nfs/dbraw/zinc/92/62/37/478926237.db2.gz QQHFBPBMEXWIJZ-KRWDZBQOSA-N 2 1 330.476 2.700 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000598701528 478980117 /nfs/dbraw/zinc/98/01/17/478980117.db2.gz WMZNHFUCYITQHN-IBGZPJMESA-N 2 1 329.488 2.584 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000598718730 478990066 /nfs/dbraw/zinc/99/00/66/478990066.db2.gz CWFXEMZNLDVJQA-HZPDHXFCSA-N 2 1 335.517 2.850 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000598718730 478990075 /nfs/dbraw/zinc/99/00/75/478990075.db2.gz CWFXEMZNLDVJQA-HZPDHXFCSA-N 2 1 335.517 2.850 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598727651 478992698 /nfs/dbraw/zinc/99/26/98/478992698.db2.gz YMXSXEYTPCXIFV-NZSAHSFTSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598727651 478992708 /nfs/dbraw/zinc/99/27/08/478992708.db2.gz YMXSXEYTPCXIFV-NZSAHSFTSA-N 2 1 329.488 2.930 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2cccnc2)C1)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000568877483 479131707 /nfs/dbraw/zinc/13/17/07/479131707.db2.gz JTQCEONBVVCXOC-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@@H+]1CC[C@H](c2cccnc2)C1)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000568877483 479131712 /nfs/dbraw/zinc/13/17/12/479131712.db2.gz JTQCEONBVVCXOC-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2cccnc2)C1)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000568877483 479131715 /nfs/dbraw/zinc/13/17/15/479131715.db2.gz JTQCEONBVVCXOC-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000593515725 479373763 /nfs/dbraw/zinc/37/37/63/479373763.db2.gz RUKYLLTYARSUMG-UHFFFAOYSA-N 2 1 332.411 2.906 20 30 EFEDMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602571260 479402325 /nfs/dbraw/zinc/40/23/25/479402325.db2.gz GUPGQNDWKOQIGM-QGZVFWFLSA-N 2 1 337.508 2.564 20 30 EFEDMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593701904 479428446 /nfs/dbraw/zinc/42/84/46/479428446.db2.gz HGIZCYAKDFGSEM-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000593912125 479505720 /nfs/dbraw/zinc/50/57/20/479505720.db2.gz ASUGCZJKXMJGRK-BMFAXAFESA-N 2 1 342.487 2.517 20 30 EFEDMP N#CCC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831343 479581429 /nfs/dbraw/zinc/58/14/29/479581429.db2.gz NTHBLGBAQOYXAR-FQEVSTJZSA-N 2 1 338.499 2.572 20 30 EFEDMP N#CCC1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831343 479581433 /nfs/dbraw/zinc/58/14/33/479581433.db2.gz NTHBLGBAQOYXAR-FQEVSTJZSA-N 2 1 338.499 2.572 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000644549131 480433612 /nfs/dbraw/zinc/43/36/12/480433612.db2.gz ZMOGBRKWYMYGIO-KRWDZBQOSA-N 2 1 343.471 2.538 20 30 EFEDMP C=CC[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638475272 480743470 /nfs/dbraw/zinc/74/34/70/480743470.db2.gz YGYUZRDUSBRQFJ-GOSISDBHSA-N 2 1 341.499 2.795 20 30 EFEDMP C=CC[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)C(C)(C)C ZINC000661760336 481294377 /nfs/dbraw/zinc/29/43/77/481294377.db2.gz RKHLSYJLOBKTTO-UHFFFAOYSA-N 2 1 335.517 2.679 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000119042737 522040803 /nfs/dbraw/zinc/04/08/03/522040803.db2.gz MDEAYIFSCCOFJZ-SFHVURJKSA-N 2 1 343.471 2.896 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000119042737 522040817 /nfs/dbraw/zinc/04/08/17/522040817.db2.gz MDEAYIFSCCOFJZ-SFHVURJKSA-N 2 1 343.471 2.896 20 30 EFEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000181706101 524481088 /nfs/dbraw/zinc/48/10/88/524481088.db2.gz FJSXMGVTVVEPLV-MRXNPFEDSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1 ZINC000181706101 524481106 /nfs/dbraw/zinc/48/11/06/524481106.db2.gz FJSXMGVTVVEPLV-MRXNPFEDSA-N 2 1 326.488 2.595 20 30 EFEDMP CC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181734917 529014620 /nfs/dbraw/zinc/01/46/20/529014620.db2.gz RQSYAITZWBLYLZ-NRFANRHFSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181734917 529014626 /nfs/dbraw/zinc/01/46/26/529014626.db2.gz RQSYAITZWBLYLZ-NRFANRHFSA-N 2 1 340.515 2.987 20 30 EFEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303768262 535106933 /nfs/dbraw/zinc/10/69/33/535106933.db2.gz AEXHVKPYOBMDGG-SFHVURJKSA-N 2 1 348.491 2.557 20 30 EFEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425529194 535199459 /nfs/dbraw/zinc/19/94/59/535199459.db2.gz AWYFRNFVWGOZDG-SFHVURJKSA-N 2 1 328.504 2.967 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005385 535596592 /nfs/dbraw/zinc/59/65/92/535596592.db2.gz REPBEHODDBLLIY-AWEZNQCLSA-N 2 1 332.423 2.769 20 30 EFEDMP CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000754857195 575503979 /nfs/dbraw/zinc/50/39/79/575503979.db2.gz BVZFVJNYNOZWOV-QGZVFWFLSA-N 2 1 338.540 2.815 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000760160926 575985368 /nfs/dbraw/zinc/98/53/68/575985368.db2.gz UAWQNPUDISGHDS-ZBFHGGJFSA-N 2 1 344.446 2.984 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000763762263 576396686 /nfs/dbraw/zinc/39/66/86/576396686.db2.gz MWFRLPLUGOMOGZ-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763762263 576396688 /nfs/dbraw/zinc/39/66/88/576396688.db2.gz MWFRLPLUGOMOGZ-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000763762263 576396690 /nfs/dbraw/zinc/39/66/90/576396690.db2.gz MWFRLPLUGOMOGZ-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000763762263 576396692 /nfs/dbraw/zinc/39/66/92/576396692.db2.gz MWFRLPLUGOMOGZ-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765979773 577094763 /nfs/dbraw/zinc/09/47/63/577094763.db2.gz XDGSTDRFMMMXJS-LAUBAEHRSA-N 2 1 342.483 2.993 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515489 577369113 /nfs/dbraw/zinc/36/91/13/577369113.db2.gz QYMKHGPUNJKCCZ-XLIONFOSSA-N 2 1 345.487 2.910 20 30 EFEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCc3cc(F)ccc3F)cc2)CC1 ZINC000771563615 581223088 /nfs/dbraw/zinc/22/30/88/581223088.db2.gz MVNNRYJUTBUODG-UHFFFAOYSA-N 2 1 344.409 2.840 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001752707223 1250832149 /nfs/dbraw/zinc/83/21/49/1250832149.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707223 1250832165 /nfs/dbraw/zinc/83/21/65/1250832165.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707223 1250832182 /nfs/dbraw/zinc/83/21/82/1250832182.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834939 1251683314 /nfs/dbraw/zinc/68/33/14/1251683314.db2.gz ZNBGYOXYJCVIAL-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683660 1252159790 /nfs/dbraw/zinc/15/97/90/1252159790.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683660 1252159796 /nfs/dbraw/zinc/15/97/96/1252159796.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683660 1252159806 /nfs/dbraw/zinc/15/98/06/1252159806.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574990 1253152998 /nfs/dbraw/zinc/15/29/98/1253152998.db2.gz NNIKBVLCWSLNHR-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574990 1253153001 /nfs/dbraw/zinc/15/30/01/1253153001.db2.gz NNIKBVLCWSLNHR-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574990 1253153004 /nfs/dbraw/zinc/15/30/04/1253153004.db2.gz NNIKBVLCWSLNHR-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332457 1253180325 /nfs/dbraw/zinc/18/03/25/1253180325.db2.gz CGBABADETGRPFE-AEFFLSMTSA-N 2 1 345.487 2.585 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332458 1253180582 /nfs/dbraw/zinc/18/05/82/1253180582.db2.gz CGBABADETGRPFE-FUHWJXTLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825634 1254745509 /nfs/dbraw/zinc/74/55/09/1254745509.db2.gz VWLYSHLSZAUSRL-FUHWJXTLSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995990907 1254921291 /nfs/dbraw/zinc/92/12/91/1254921291.db2.gz CQPQTYFONCKAST-HOTGVXAUSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190639 1255065883 /nfs/dbraw/zinc/06/58/83/1255065883.db2.gz MJVXNZQFCYCQLC-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190641 1255065954 /nfs/dbraw/zinc/06/59/54/1255065954.db2.gz MJVXNZQFCYCQLC-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299983 1255184405 /nfs/dbraw/zinc/18/44/05/1255184405.db2.gz HWULHVLJTYLFHY-HNAYVOBHSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996381824 1255264993 /nfs/dbraw/zinc/26/49/93/1255264993.db2.gz ZUOQFGWETKEAQU-CVEARBPZSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996667617 1255689813 /nfs/dbraw/zinc/68/98/13/1255689813.db2.gz FHEILJAVQUYSAZ-KRWDZBQOSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439063 1255822120 /nfs/dbraw/zinc/82/21/20/1255822120.db2.gz PZSKPRNWWTVXCS-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439301 1255824622 /nfs/dbraw/zinc/82/46/22/1255824622.db2.gz VFMWCIRRUYKTMK-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439301 1255824631 /nfs/dbraw/zinc/82/46/31/1255824631.db2.gz VFMWCIRRUYKTMK-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439301 1255824646 /nfs/dbraw/zinc/82/46/46/1255824646.db2.gz VFMWCIRRUYKTMK-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107451150 1255855508 /nfs/dbraw/zinc/85/55/08/1255855508.db2.gz PIFYRRAJQMFQLD-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451150 1255855511 /nfs/dbraw/zinc/85/55/11/1255855511.db2.gz PIFYRRAJQMFQLD-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495236 1255976901 /nfs/dbraw/zinc/97/69/01/1255976901.db2.gz LEXILRMPUZIKQS-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549555 1256100562 /nfs/dbraw/zinc/10/05/62/1256100562.db2.gz BAQCFFOIJVSTNP-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549555 1256100569 /nfs/dbraw/zinc/10/05/69/1256100569.db2.gz BAQCFFOIJVSTNP-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549555 1256100572 /nfs/dbraw/zinc/10/05/72/1256100572.db2.gz BAQCFFOIJVSTNP-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566566 1256154356 /nfs/dbraw/zinc/15/43/56/1256154356.db2.gz AGYODYDQVDFFAC-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566598 1256155062 /nfs/dbraw/zinc/15/50/62/1256155062.db2.gz BQJXSEVWNGNLJV-SFHLNBCPSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000996909611 1256452403 /nfs/dbraw/zinc/45/24/03/1256452403.db2.gz FZRUJQSAOJLGEZ-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000997006507 1256668181 /nfs/dbraw/zinc/66/81/81/1256668181.db2.gz MHIMYTZATLESNK-QGZVFWFLSA-N 2 1 345.890 2.532 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131917 1257028103 /nfs/dbraw/zinc/02/81/03/1257028103.db2.gz JFIBQEIQVQOGNB-WBVHZDCISA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997277726 1257322605 /nfs/dbraw/zinc/32/26/05/1257322605.db2.gz XQFAHDSZGPFJKU-QAPCUYQASA-N 2 1 344.503 2.547 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997277886 1257322876 /nfs/dbraw/zinc/32/28/76/1257322876.db2.gz YZWJRZUVCWFKOC-CRAIPNDOSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997278632 1257324384 /nfs/dbraw/zinc/32/43/84/1257324384.db2.gz HLVTZAGOJLZUKG-SCTDSRPQSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445788 1257482968 /nfs/dbraw/zinc/48/29/68/1257482968.db2.gz QSRDWFQEIYQEIH-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445788 1257482971 /nfs/dbraw/zinc/48/29/71/1257482971.db2.gz QSRDWFQEIYQEIH-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445788 1257482975 /nfs/dbraw/zinc/48/29/75/1257482975.db2.gz QSRDWFQEIYQEIH-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997387892 1257562275 /nfs/dbraw/zinc/56/22/75/1257562275.db2.gz QWKJZHCKTIDRFS-QUCCMNQESA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997612708 1258110771 /nfs/dbraw/zinc/11/07/71/1258110771.db2.gz IGRFQHVKIVITLE-DOTOQJQBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997612708 1258110775 /nfs/dbraw/zinc/11/07/75/1258110775.db2.gz IGRFQHVKIVITLE-DOTOQJQBSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(CC)CC)CC1 ZINC000997624593 1258128226 /nfs/dbraw/zinc/12/82/26/1258128226.db2.gz VEOQTBWCSMNFOK-PXNSSMCTSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(CC)CC)CC1 ZINC000997624593 1258128231 /nfs/dbraw/zinc/12/82/31/1258128231.db2.gz VEOQTBWCSMNFOK-PXNSSMCTSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653485 1258171161 /nfs/dbraw/zinc/17/11/61/1258171161.db2.gz OFSKLZIMQUJQSP-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997737044 1258327549 /nfs/dbraw/zinc/32/75/49/1258327549.db2.gz YZWJRZUVCWFKOC-YJBOKZPZSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997870078 1258554717 /nfs/dbraw/zinc/55/47/17/1258554717.db2.gz BZPZGLSKUGWYSH-DOTOQJQBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997870078 1258554725 /nfs/dbraw/zinc/55/47/25/1258554725.db2.gz BZPZGLSKUGWYSH-DOTOQJQBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007970 1258934760 /nfs/dbraw/zinc/93/47/60/1258934760.db2.gz PYVVTHHAYFYJMN-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006670 1258937418 /nfs/dbraw/zinc/93/74/18/1258937418.db2.gz LTTYMORXGRNPGH-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643006 1258954812 /nfs/dbraw/zinc/95/48/12/1258954812.db2.gz QBVJIMIDVZLTNT-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998041432 1259011307 /nfs/dbraw/zinc/01/13/07/1259011307.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998041432 1259011315 /nfs/dbraw/zinc/01/13/15/1259011315.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000998054624 1259030652 /nfs/dbraw/zinc/03/06/52/1259030652.db2.gz XUVUNNMSXVDFII-KRWDZBQOSA-N 2 1 338.455 2.593 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998101381 1259111834 /nfs/dbraw/zinc/11/18/34/1259111834.db2.gz HOPWXNYQMPCLJS-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101381 1259111840 /nfs/dbraw/zinc/11/18/40/1259111840.db2.gz HOPWXNYQMPCLJS-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101381 1259111847 /nfs/dbraw/zinc/11/18/47/1259111847.db2.gz HOPWXNYQMPCLJS-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112312 1259124063 /nfs/dbraw/zinc/12/40/63/1259124063.db2.gz UDSTYYUIJOIODZ-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112312 1259124066 /nfs/dbraw/zinc/12/40/66/1259124066.db2.gz UDSTYYUIJOIODZ-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190478 1259213392 /nfs/dbraw/zinc/21/33/92/1259213392.db2.gz QDBBKXHDYZAQIZ-FQEVSTJZSA-N 2 1 341.499 2.698 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000998921977 1260085998 /nfs/dbraw/zinc/08/59/98/1260085998.db2.gz CEHBQKWJLAVQDJ-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000998921977 1260086006 /nfs/dbraw/zinc/08/60/06/1260086006.db2.gz CEHBQKWJLAVQDJ-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144466 1260171509 /nfs/dbraw/zinc/17/15/09/1260171509.db2.gz QDPRKFFMHCUJPN-UWJYYQICSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144466 1260171511 /nfs/dbraw/zinc/17/15/11/1260171511.db2.gz QDPRKFFMHCUJPN-UWJYYQICSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144466 1260171517 /nfs/dbraw/zinc/17/15/17/1260171517.db2.gz QDPRKFFMHCUJPN-UWJYYQICSA-N 2 1 339.483 2.505 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999159375 1260266464 /nfs/dbraw/zinc/26/64/64/1260266464.db2.gz ADMJINWJSUZVOQ-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999355819 1260537898 /nfs/dbraw/zinc/53/78/98/1260537898.db2.gz XRTNHERYXRSNFU-HZPDHXFCSA-N 2 1 327.900 2.582 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023147 1261282629 /nfs/dbraw/zinc/28/26/29/1261282629.db2.gz UCUSUWXXMSURSM-MJGOQNOKSA-N 2 1 341.540 2.504 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902720 1261691149 /nfs/dbraw/zinc/69/11/49/1261691149.db2.gz WOTLAQKCNXBPIF-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902720 1261691159 /nfs/dbraw/zinc/69/11/59/1261691159.db2.gz WOTLAQKCNXBPIF-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902720 1261691171 /nfs/dbraw/zinc/69/11/71/1261691171.db2.gz WOTLAQKCNXBPIF-QGFMHUBQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904589 1261724748 /nfs/dbraw/zinc/72/47/48/1261724748.db2.gz LFTJXCQNAIVTRI-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904589 1261724757 /nfs/dbraw/zinc/72/47/57/1261724757.db2.gz LFTJXCQNAIVTRI-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117200 1261791137 /nfs/dbraw/zinc/79/11/37/1261791137.db2.gz TVHDPFFMSACBSP-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117200 1261791144 /nfs/dbraw/zinc/79/11/44/1261791144.db2.gz TVHDPFFMSACBSP-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006120952 1261813074 /nfs/dbraw/zinc/81/30/74/1261813074.db2.gz SRGWSXGIWFRPAT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001405815 1262181888 /nfs/dbraw/zinc/18/18/88/1262181888.db2.gz USFCTVWMKPGOOP-RTBURBONSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599424 1278134853 /nfs/dbraw/zinc/13/48/53/1278134853.db2.gz NTHOFNVTDVTMCZ-VQTJNVASSA-N 2 1 346.434 2.718 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412596 1263037673 /nfs/dbraw/zinc/03/76/73/1263037673.db2.gz XCVPELBQHCMTKA-AWEZNQCLSA-N 2 1 331.932 2.837 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513486 1263210224 /nfs/dbraw/zinc/21/02/24/1263210224.db2.gz PTEVWBOIESLYGP-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843116 /nfs/dbraw/zinc/84/31/16/1263843116.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843130 /nfs/dbraw/zinc/84/31/30/1263843130.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843148 /nfs/dbraw/zinc/84/31/48/1263843148.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346219 1263845248 /nfs/dbraw/zinc/84/52/48/1263845248.db2.gz BJYJXZMBQKEJJV-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346219 1263845276 /nfs/dbraw/zinc/84/52/76/1263845276.db2.gz BJYJXZMBQKEJJV-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346219 1263845293 /nfs/dbraw/zinc/84/52/93/1263845293.db2.gz BJYJXZMBQKEJJV-QWFCFKBJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356655 1263852964 /nfs/dbraw/zinc/85/29/64/1263852964.db2.gz UDUNEHPGAMQNFO-BRWVUGGUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356655 1263852971 /nfs/dbraw/zinc/85/29/71/1263852971.db2.gz UDUNEHPGAMQNFO-BRWVUGGUSA-N 2 1 330.476 2.505 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357333 /nfs/dbraw/zinc/35/73/33/1264357333.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 2 1 341.540 2.503 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357346 /nfs/dbraw/zinc/35/73/46/1264357346.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 2 1 341.540 2.503 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357352 /nfs/dbraw/zinc/35/73/52/1264357352.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 2 1 341.540 2.503 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958060 1264764958 /nfs/dbraw/zinc/76/49/58/1264764958.db2.gz JOMYHVUIOXLYDU-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958060 1264764961 /nfs/dbraw/zinc/76/49/61/1264764961.db2.gz JOMYHVUIOXLYDU-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958060 1264764969 /nfs/dbraw/zinc/76/49/69/1264764969.db2.gz JOMYHVUIOXLYDU-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492183 1264818087 /nfs/dbraw/zinc/81/80/87/1264818087.db2.gz CQHWHVVZABZEOB-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997984 1264874880 /nfs/dbraw/zinc/87/48/80/1264874880.db2.gz LOAAAYYQCCIPRY-HOJAQTOUSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014187 1264925754 /nfs/dbraw/zinc/92/57/54/1264925754.db2.gz KEVUQCRFAODKSJ-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014187 1264925758 /nfs/dbraw/zinc/92/57/58/1264925758.db2.gz KEVUQCRFAODKSJ-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014187 1264925764 /nfs/dbraw/zinc/92/57/64/1264925764.db2.gz KEVUQCRFAODKSJ-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016641 1264933184 /nfs/dbraw/zinc/93/31/84/1264933184.db2.gz CJWMFASBZQTFEY-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016641 1264933191 /nfs/dbraw/zinc/93/31/91/1264933191.db2.gz CJWMFASBZQTFEY-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016641 1264933198 /nfs/dbraw/zinc/93/31/98/1264933198.db2.gz CJWMFASBZQTFEY-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001003639796 1265016165 /nfs/dbraw/zinc/01/61/65/1265016165.db2.gz ZBRLNAHLOYUMDO-UHFFFAOYSA-N 2 1 349.906 2.737 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101205 1265143881 /nfs/dbraw/zinc/14/38/81/1265143881.db2.gz GIRCLOQTAWCABE-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591119 1266531030 /nfs/dbraw/zinc/53/10/30/1266531030.db2.gz OHAMGGQQSBVBPV-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591119 1266531036 /nfs/dbraw/zinc/53/10/36/1266531036.db2.gz OHAMGGQQSBVBPV-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591119 1266531046 /nfs/dbraw/zinc/53/10/46/1266531046.db2.gz OHAMGGQQSBVBPV-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591120 1266531281 /nfs/dbraw/zinc/53/12/81/1266531281.db2.gz OHAMGGQQSBVBPV-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591120 1266531288 /nfs/dbraw/zinc/53/12/88/1266531288.db2.gz OHAMGGQQSBVBPV-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591120 1266531291 /nfs/dbraw/zinc/53/12/91/1266531291.db2.gz OHAMGGQQSBVBPV-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597907 1266724852 /nfs/dbraw/zinc/72/48/52/1266724852.db2.gz PQBYSYNHHDUQML-ZGXWSNOMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597907 1266724862 /nfs/dbraw/zinc/72/48/62/1266724862.db2.gz PQBYSYNHHDUQML-ZGXWSNOMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597907 1266724867 /nfs/dbraw/zinc/72/48/67/1266724867.db2.gz PQBYSYNHHDUQML-ZGXWSNOMSA-N 2 1 347.547 2.853 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429750 1266988076 /nfs/dbraw/zinc/98/80/76/1266988076.db2.gz OOEYOEAYIMZGNS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004429750 1266988087 /nfs/dbraw/zinc/98/80/87/1266988087.db2.gz OOEYOEAYIMZGNS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004429750 1266988089 /nfs/dbraw/zinc/98/80/89/1266988089.db2.gz OOEYOEAYIMZGNS-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004440730 1267004935 /nfs/dbraw/zinc/00/49/35/1267004935.db2.gz FIPMHTFEQWATEL-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004440730 1267004948 /nfs/dbraw/zinc/00/49/48/1267004948.db2.gz FIPMHTFEQWATEL-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004440730 1267004961 /nfs/dbraw/zinc/00/49/61/1267004961.db2.gz FIPMHTFEQWATEL-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004444632 1267016281 /nfs/dbraw/zinc/01/62/81/1267016281.db2.gz YZULDHBJGJHRIZ-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004444632 1267016293 /nfs/dbraw/zinc/01/62/93/1267016293.db2.gz YZULDHBJGJHRIZ-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004444632 1267016300 /nfs/dbraw/zinc/01/63/00/1267016300.db2.gz YZULDHBJGJHRIZ-QRQLOZEOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456787 1267085438 /nfs/dbraw/zinc/08/54/38/1267085438.db2.gz HZKQYRYGJNPJEV-QZTJIDSGSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456787 1267085445 /nfs/dbraw/zinc/08/54/45/1267085445.db2.gz HZKQYRYGJNPJEV-QZTJIDSGSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456780 1267085612 /nfs/dbraw/zinc/08/56/12/1267085612.db2.gz HYTJPQKFMRFVAJ-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004457672 1267088131 /nfs/dbraw/zinc/08/81/31/1267088131.db2.gz JSNMIBBZWUOZIB-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457672 1267088138 /nfs/dbraw/zinc/08/81/38/1267088138.db2.gz JSNMIBBZWUOZIB-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457672 1267088144 /nfs/dbraw/zinc/08/81/44/1267088144.db2.gz JSNMIBBZWUOZIB-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458703 1267094704 /nfs/dbraw/zinc/09/47/04/1267094704.db2.gz QDWACVPJHMAVLY-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004473174 1267120416 /nfs/dbraw/zinc/12/04/16/1267120416.db2.gz LDPCKNPSWLAJSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004473174 1267120421 /nfs/dbraw/zinc/12/04/21/1267120421.db2.gz LDPCKNPSWLAJSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004473174 1267120424 /nfs/dbraw/zinc/12/04/24/1267120424.db2.gz LDPCKNPSWLAJSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474480 1267122065 /nfs/dbraw/zinc/12/20/65/1267122065.db2.gz OVNDRFJWKXDXTK-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946615753 1267124953 /nfs/dbraw/zinc/12/49/53/1267124953.db2.gz QUDNAFGQHNAJOJ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615753 1267124958 /nfs/dbraw/zinc/12/49/58/1267124958.db2.gz QUDNAFGQHNAJOJ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615753 1267124964 /nfs/dbraw/zinc/12/49/64/1267124964.db2.gz QUDNAFGQHNAJOJ-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946615568 1267125215 /nfs/dbraw/zinc/12/52/15/1267125215.db2.gz OCZHJMWOBHBFLI-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615568 1267125221 /nfs/dbraw/zinc/12/52/21/1267125221.db2.gz OCZHJMWOBHBFLI-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615568 1267125225 /nfs/dbraw/zinc/12/52/25/1267125225.db2.gz OCZHJMWOBHBFLI-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004489649 1267143849 /nfs/dbraw/zinc/14/38/49/1267143849.db2.gz MYSHWXLFKHSWSC-IBGZPJMESA-N 2 1 338.455 2.837 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004505582 1267176457 /nfs/dbraw/zinc/17/64/57/1267176457.db2.gz HMKXTEQTPGCHQA-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621297 1267193791 /nfs/dbraw/zinc/19/37/91/1267193791.db2.gz SUXCJBYSTIUPLI-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621297 1267193796 /nfs/dbraw/zinc/19/37/96/1267193796.db2.gz SUXCJBYSTIUPLI-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621297 1267193800 /nfs/dbraw/zinc/19/38/00/1267193800.db2.gz SUXCJBYSTIUPLI-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004519005 1267207871 /nfs/dbraw/zinc/20/78/71/1267207871.db2.gz BQVTUHFVPBTEHE-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004519005 1267207879 /nfs/dbraw/zinc/20/78/79/1267207879.db2.gz BQVTUHFVPBTEHE-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004519005 1267207888 /nfs/dbraw/zinc/20/78/88/1267207888.db2.gz BQVTUHFVPBTEHE-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004518995 1267208796 /nfs/dbraw/zinc/20/87/96/1267208796.db2.gz BJUCPXHXUAXMOG-WDSOQIARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004518995 1267208805 /nfs/dbraw/zinc/20/88/05/1267208805.db2.gz BJUCPXHXUAXMOG-WDSOQIARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004518995 1267208813 /nfs/dbraw/zinc/20/88/13/1267208813.db2.gz BJUCPXHXUAXMOG-WDSOQIARSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004528000 1267227289 /nfs/dbraw/zinc/22/72/89/1267227289.db2.gz MXBCXLDRKPELPO-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004528000 1267227297 /nfs/dbraw/zinc/22/72/97/1267227297.db2.gz MXBCXLDRKPELPO-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004528000 1267227304 /nfs/dbraw/zinc/22/73/04/1267227304.db2.gz MXBCXLDRKPELPO-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004549245 1267275699 /nfs/dbraw/zinc/27/56/99/1267275699.db2.gz VTSVBUGDBOVGCR-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631416 1267337633 /nfs/dbraw/zinc/33/76/33/1267337633.db2.gz GHGDHUWTMVVJJC-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631416 1267337640 /nfs/dbraw/zinc/33/76/40/1267337640.db2.gz GHGDHUWTMVVJJC-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631416 1267337643 /nfs/dbraw/zinc/33/76/43/1267337643.db2.gz GHGDHUWTMVVJJC-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585547 1267341849 /nfs/dbraw/zinc/34/18/49/1267341849.db2.gz GSSVVQSOVFIUNB-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004593389 1267355081 /nfs/dbraw/zinc/35/50/81/1267355081.db2.gz RZYZJXPFAOLZPM-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595185 1267360660 /nfs/dbraw/zinc/36/06/60/1267360660.db2.gz GCHAAKCEKDNAHN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595185 1267360674 /nfs/dbraw/zinc/36/06/74/1267360674.db2.gz GCHAAKCEKDNAHN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595185 1267360685 /nfs/dbraw/zinc/36/06/85/1267360685.db2.gz GCHAAKCEKDNAHN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004608705 1267394402 /nfs/dbraw/zinc/39/44/02/1267394402.db2.gz BBWUQSFBXIXLKP-IBGZPJMESA-N 2 1 344.503 2.632 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618279 1267412412 /nfs/dbraw/zinc/41/24/12/1267412412.db2.gz CVPNJMHIWPHEDI-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004618524 1267412865 /nfs/dbraw/zinc/41/28/65/1267412865.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004618524 1267412866 /nfs/dbraw/zinc/41/28/66/1267412866.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004618524 1267412873 /nfs/dbraw/zinc/41/28/73/1267412873.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644405 1267468538 /nfs/dbraw/zinc/46/85/38/1267468538.db2.gz BICAKVJXCVLANM-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644405 1267468541 /nfs/dbraw/zinc/46/85/41/1267468541.db2.gz BICAKVJXCVLANM-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644405 1267468543 /nfs/dbraw/zinc/46/85/43/1267468543.db2.gz BICAKVJXCVLANM-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710486 1267754739 /nfs/dbraw/zinc/75/47/39/1267754739.db2.gz PPMWLQYMRVTQCS-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598105 1267961499 /nfs/dbraw/zinc/96/14/99/1267961499.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598105 1267961506 /nfs/dbraw/zinc/96/15/06/1267961506.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598105 1267961520 /nfs/dbraw/zinc/96/15/20/1267961520.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598104 1267961890 /nfs/dbraw/zinc/96/18/90/1267961890.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598104 1267961897 /nfs/dbraw/zinc/96/18/97/1267961897.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598104 1267961905 /nfs/dbraw/zinc/96/19/05/1267961905.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598708 1267963742 /nfs/dbraw/zinc/96/37/42/1267963742.db2.gz YLQQVQVQQROHLS-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598708 1267963749 /nfs/dbraw/zinc/96/37/49/1267963749.db2.gz YLQQVQVQQROHLS-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598708 1267963753 /nfs/dbraw/zinc/96/37/53/1267963753.db2.gz YLQQVQVQQROHLS-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001273126999 1268650280 /nfs/dbraw/zinc/65/02/80/1268650280.db2.gz WKFLFHLMQYGWPC-VAMGGRTRSA-N 2 1 345.531 2.916 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297712 1268688047 /nfs/dbraw/zinc/68/80/47/1268688047.db2.gz RWOKHPMGOCSWPH-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803848 1268739405 /nfs/dbraw/zinc/73/94/05/1268739405.db2.gz YJRLAGZDWFVDJY-KURKYZTESA-N 2 1 330.476 2.581 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774494 /nfs/dbraw/zinc/77/44/94/1268774494.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774498 /nfs/dbraw/zinc/77/44/98/1268774498.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774499 /nfs/dbraw/zinc/77/44/99/1268774499.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819212 1268868772 /nfs/dbraw/zinc/86/87/72/1268868772.db2.gz WTQJQDHBSXYVJS-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819212 1268868785 /nfs/dbraw/zinc/86/87/85/1268868785.db2.gz WTQJQDHBSXYVJS-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819212 1268868794 /nfs/dbraw/zinc/86/87/94/1268868794.db2.gz WTQJQDHBSXYVJS-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417624 1269090824 /nfs/dbraw/zinc/09/08/24/1269090824.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417624 1269090831 /nfs/dbraw/zinc/09/08/31/1269090831.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417624 1269090841 /nfs/dbraw/zinc/09/08/41/1269090841.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033697307 1269834928 /nfs/dbraw/zinc/83/49/28/1269834928.db2.gz CAJBZGHSLYLPCZ-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086109945 1270010376 /nfs/dbraw/zinc/01/03/76/1270010376.db2.gz NBRMDKOTKXZWIK-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086109945 1270010380 /nfs/dbraw/zinc/01/03/80/1270010380.db2.gz NBRMDKOTKXZWIK-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385076 1270253517 /nfs/dbraw/zinc/25/35/17/1270253517.db2.gz OMUZNTFLDOEXCL-INIZCTEOSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385076 1270253526 /nfs/dbraw/zinc/25/35/26/1270253526.db2.gz OMUZNTFLDOEXCL-INIZCTEOSA-N 2 1 327.900 2.535 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395059 1270333146 /nfs/dbraw/zinc/33/31/46/1270333146.db2.gz HIFOUPFCIJIOGC-GOSISDBHSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086176550 1270352875 /nfs/dbraw/zinc/35/28/75/1270352875.db2.gz GBOZXDOJHNHMJK-SCTDSRPQSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856774 1270402015 /nfs/dbraw/zinc/40/20/15/1270402015.db2.gz WGAAJEAUUYDWFI-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856774 1270402020 /nfs/dbraw/zinc/40/20/20/1270402020.db2.gz WGAAJEAUUYDWFI-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856774 1270402024 /nfs/dbraw/zinc/40/20/24/1270402024.db2.gz WGAAJEAUUYDWFI-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957096 1270692987 /nfs/dbraw/zinc/69/29/87/1270692987.db2.gz JBYXBLDLLRZLCK-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957096 1270692999 /nfs/dbraw/zinc/69/29/99/1270692999.db2.gz JBYXBLDLLRZLCK-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939135 1270702358 /nfs/dbraw/zinc/70/23/58/1270702358.db2.gz GAXUKRAIISKMJW-MJGOQNOKSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939135 1270702366 /nfs/dbraw/zinc/70/23/66/1270702366.db2.gz GAXUKRAIISKMJW-MJGOQNOKSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012865 1270829978 /nfs/dbraw/zinc/82/99/78/1270829978.db2.gz QQEJFFOSSYCDSZ-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196712 1270882099 /nfs/dbraw/zinc/88/20/99/1270882099.db2.gz KTZIJXWGVHCCRT-OAGGEKHMSA-N 2 1 327.900 2.629 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196711 1270883035 /nfs/dbraw/zinc/88/30/35/1270883035.db2.gz KTZIJXWGVHCCRT-BZUAXINKSA-N 2 1 327.900 2.629 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005517571 1271260453 /nfs/dbraw/zinc/26/04/53/1271260453.db2.gz CZDQXODVQGJXQV-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005517571 1271260458 /nfs/dbraw/zinc/26/04/58/1271260458.db2.gz CZDQXODVQGJXQV-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250519 1271425240 /nfs/dbraw/zinc/42/52/40/1271425240.db2.gz RIUXNSPWFMXQLR-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250519 1271425245 /nfs/dbraw/zinc/42/52/45/1271425245.db2.gz RIUXNSPWFMXQLR-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034261338 1271473356 /nfs/dbraw/zinc/47/33/56/1271473356.db2.gz WMPSBHOLZULSRZ-GOSISDBHSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251213 1271475648 /nfs/dbraw/zinc/47/56/48/1271475648.db2.gz XEVUHLOPROVHLW-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251213 1271475655 /nfs/dbraw/zinc/47/56/55/1271475655.db2.gz XEVUHLOPROVHLW-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251213 1271475662 /nfs/dbraw/zinc/47/56/62/1271475662.db2.gz XEVUHLOPROVHLW-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251213 1271475667 /nfs/dbraw/zinc/47/56/67/1271475667.db2.gz XEVUHLOPROVHLW-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)CN1CCCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034366119 1271787113 /nfs/dbraw/zinc/78/71/13/1271787113.db2.gz WXPFBMJBNWVICP-OAHLLOKOSA-N 2 1 339.867 2.678 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404561 1271910374 /nfs/dbraw/zinc/91/03/74/1271910374.db2.gz KEEMBSKXXXWOMR-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445403 1271972212 /nfs/dbraw/zinc/97/22/12/1271972212.db2.gz SLGWAJOPFZVXNQ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543766 1272256964 /nfs/dbraw/zinc/25/69/64/1272256964.db2.gz JMBFUECSUVQHOW-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034643111 1272432745 /nfs/dbraw/zinc/43/27/45/1272432745.db2.gz PMUKGJMMVDAYOZ-LUKYLMHMSA-N 2 1 339.911 2.630 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001169111945 1272701795 /nfs/dbraw/zinc/70/17/95/1272701795.db2.gz RJUPZZIFQFTTEJ-MZADTFQBSA-N 2 1 338.499 2.737 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844034339 1278726295 /nfs/dbraw/zinc/72/62/95/1278726295.db2.gz AWFRJYLJRUWAQQ-LJQANCHMSA-N 2 1 329.488 2.616 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754314 1272832459 /nfs/dbraw/zinc/83/24/59/1272832459.db2.gz ZPAWUPUZXWCJPI-LUKYLMHMSA-N 2 1 339.911 2.773 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796565 1272989927 /nfs/dbraw/zinc/98/99/27/1272989927.db2.gz IYXZGTGMLXOLSS-LDKKBFSKSA-N 2 1 327.900 2.629 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770305 1273459959 /nfs/dbraw/zinc/45/99/59/1273459959.db2.gz OFBBOIAQWODIBZ-KSZLIROESA-N 2 1 344.503 2.942 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765298 1273469741 /nfs/dbraw/zinc/46/97/41/1273469741.db2.gz MSKLXQLDCMXIBW-BZSNNMDCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778464 1273475433 /nfs/dbraw/zinc/47/54/33/1273475433.db2.gz SQYHLMCQFDYQAV-KSZLIROESA-N 2 1 330.476 2.517 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530280 1273736911 /nfs/dbraw/zinc/73/69/11/1273736911.db2.gz POCLEROIXJGBQB-ULQDDVLXSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184376 1273751108 /nfs/dbraw/zinc/75/11/08/1273751108.db2.gz JHIMFVXDCLZJRX-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184376 1273751112 /nfs/dbraw/zinc/75/11/12/1273751112.db2.gz JHIMFVXDCLZJRX-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184376 1273751116 /nfs/dbraw/zinc/75/11/16/1273751116.db2.gz JHIMFVXDCLZJRX-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197131 1273759919 /nfs/dbraw/zinc/75/99/19/1273759919.db2.gz ISVLIWBBSSBXFJ-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197131 1273759924 /nfs/dbraw/zinc/75/99/24/1273759924.db2.gz ISVLIWBBSSBXFJ-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197131 1273759930 /nfs/dbraw/zinc/75/99/30/1273759930.db2.gz ISVLIWBBSSBXFJ-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035201263 1273771584 /nfs/dbraw/zinc/77/15/84/1273771584.db2.gz TVIFDPVNEKOJIQ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035201263 1273771587 /nfs/dbraw/zinc/77/15/87/1273771587.db2.gz TVIFDPVNEKOJIQ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035201263 1273771593 /nfs/dbraw/zinc/77/15/93/1273771593.db2.gz TVIFDPVNEKOJIQ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202438 1273774148 /nfs/dbraw/zinc/77/41/48/1273774148.db2.gz VAOCTRPSYGZROR-UHFFFAOYSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220242 1273828471 /nfs/dbraw/zinc/82/84/71/1273828471.db2.gz OUXGMXLKYXCFPV-UHFFFAOYSA-N 2 1 345.487 2.845 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233550 1273884300 /nfs/dbraw/zinc/88/43/00/1273884300.db2.gz IFQYHUVIARWGBA-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233698 1273884869 /nfs/dbraw/zinc/88/48/69/1273884869.db2.gz KFZOOEFYONBCJC-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233698 1273884879 /nfs/dbraw/zinc/88/48/79/1273884879.db2.gz KFZOOEFYONBCJC-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233698 1273884895 /nfs/dbraw/zinc/88/48/95/1273884895.db2.gz KFZOOEFYONBCJC-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243579 1273912170 /nfs/dbraw/zinc/91/21/70/1273912170.db2.gz AKMCMYKLROEFSA-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244524 1273916971 /nfs/dbraw/zinc/91/69/71/1273916971.db2.gz QEHBIMFUQAJAHK-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260020 1273954937 /nfs/dbraw/zinc/95/49/37/1273954937.db2.gz NJFBEVVDNUPYQM-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109399637 1274241282 /nfs/dbraw/zinc/24/12/82/1274241282.db2.gz QAAGZNLSYOWWGY-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399637 1274241291 /nfs/dbraw/zinc/24/12/91/1274241291.db2.gz QAAGZNLSYOWWGY-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399637 1274241300 /nfs/dbraw/zinc/24/13/00/1274241300.db2.gz QAAGZNLSYOWWGY-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109433594 1274269558 /nfs/dbraw/zinc/26/95/58/1274269558.db2.gz UNAQTOQYJGFIKX-OWSLCNJRSA-N 2 1 330.476 2.768 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001109440191 1274278586 /nfs/dbraw/zinc/27/85/86/1274278586.db2.gz JHWZYJISNRADOL-IKGGRYGDSA-N 2 1 330.476 2.614 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442960 1274283449 /nfs/dbraw/zinc/28/34/49/1274283449.db2.gz OSGOKESKPJOMEL-YRXWBPOGSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)nc3C1)C2 ZINC001109462105 1274304774 /nfs/dbraw/zinc/30/47/74/1274304774.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 1 342.487 2.511 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)nc3C1)C2 ZINC001109462105 1274304788 /nfs/dbraw/zinc/30/47/88/1274304788.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 1 342.487 2.511 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485216 1274335347 /nfs/dbraw/zinc/33/53/47/1274335347.db2.gz PZENIAYEMWFACH-BDXSIMOUSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035809853 1274539500 /nfs/dbraw/zinc/53/95/00/1274539500.db2.gz CDRNBFOFXVHAPL-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814989 1274549112 /nfs/dbraw/zinc/54/91/12/1274549112.db2.gz XCAVTEXRQGYIOY-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844889 1274714846 /nfs/dbraw/zinc/71/48/46/1274714846.db2.gz LNWQLRFGCMQROZ-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844889 1274714851 /nfs/dbraw/zinc/71/48/51/1274714851.db2.gz LNWQLRFGCMQROZ-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975778 1274921076 /nfs/dbraw/zinc/92/10/76/1274921076.db2.gz DCQAZCNIXIEAMJ-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975778 1274921080 /nfs/dbraw/zinc/92/10/80/1274921080.db2.gz DCQAZCNIXIEAMJ-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975778 1274921085 /nfs/dbraw/zinc/92/10/85/1274921085.db2.gz DCQAZCNIXIEAMJ-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112545746 1275107411 /nfs/dbraw/zinc/10/74/11/1275107411.db2.gz AZOBMBHMCATIKN-ICSRJNTNSA-N 2 1 344.503 2.766 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557399 1275148692 /nfs/dbraw/zinc/14/86/92/1275148692.db2.gz DTCBJLDWSRVTGD-HBFSDRIKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563250 1275187617 /nfs/dbraw/zinc/18/76/17/1275187617.db2.gz MYNRKUJLNNPDRF-BJLQDIEVSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786832723 1275537826 /nfs/dbraw/zinc/53/78/26/1275537826.db2.gz RQXRRCPCEQSCDM-INIZCTEOSA-N 2 1 342.487 2.907 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855187 1276110698 /nfs/dbraw/zinc/11/06/98/1276110698.db2.gz NIBRRCJCRRDTML-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996034 1276286838 /nfs/dbraw/zinc/28/68/38/1276286838.db2.gz PRSFSPIXMJSYPQ-DLBZAZTESA-N 2 1 344.503 2.663 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170878732 1276321490 /nfs/dbraw/zinc/32/14/90/1276321490.db2.gz QCMAOOPEXMOIOL-OWCLPIDISA-N 2 1 329.916 2.734 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965612 1276352749 /nfs/dbraw/zinc/35/27/49/1276352749.db2.gz LIKZWIOAVCVXJA-PKOBYXMFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929007 1287234038 /nfs/dbraw/zinc/23/40/38/1287234038.db2.gz NZODDUFYKQKSPI-WMZOPIPTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927394 1287251869 /nfs/dbraw/zinc/25/18/69/1287251869.db2.gz DURLYLKTEOZBSI-FUHWJXTLSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875356 1277276535 /nfs/dbraw/zinc/27/65/35/1277276535.db2.gz NEOVULUXPSLNGJ-ZVDOUQERSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875356 1277276539 /nfs/dbraw/zinc/27/65/39/1277276539.db2.gz NEOVULUXPSLNGJ-ZVDOUQERSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875356 1277276545 /nfs/dbraw/zinc/27/65/45/1277276545.db2.gz NEOVULUXPSLNGJ-ZVDOUQERSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005988436 1277303848 /nfs/dbraw/zinc/30/38/48/1277303848.db2.gz VQXBNMMNPDLGJW-LJQANCHMSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086587786 1277638307 /nfs/dbraw/zinc/63/83/07/1277638307.db2.gz NEUMYSXBHIZTSH-XUVXKRRUSA-N 2 1 341.499 2.629 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086587786 1277638313 /nfs/dbraw/zinc/63/83/13/1277638313.db2.gz NEUMYSXBHIZTSH-XUVXKRRUSA-N 2 1 341.499 2.629 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086587786 1277638318 /nfs/dbraw/zinc/63/83/18/1277638318.db2.gz NEUMYSXBHIZTSH-XUVXKRRUSA-N 2 1 341.499 2.629 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086595814 1277979668 /nfs/dbraw/zinc/97/96/68/1277979668.db2.gz WCOZQYNFZRWGLZ-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086595814 1277979673 /nfs/dbraw/zinc/97/96/73/1277979673.db2.gz WCOZQYNFZRWGLZ-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595814 1277979678 /nfs/dbraw/zinc/97/96/78/1277979678.db2.gz WCOZQYNFZRWGLZ-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595814 1277979685 /nfs/dbraw/zinc/97/96/85/1277979685.db2.gz WCOZQYNFZRWGLZ-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP N#CC1(c2ccccc2)CCC(N2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001170375606 1279074062 /nfs/dbraw/zinc/07/40/62/1279074062.db2.gz AAGSCAVHIIKJJJ-UHFFFAOYSA-N 2 1 340.515 2.747 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609425 1279180747 /nfs/dbraw/zinc/18/07/47/1279180747.db2.gz FXHXWALUGUDBMT-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609425 1279180752 /nfs/dbraw/zinc/18/07/52/1279180752.db2.gz FXHXWALUGUDBMT-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609425 1279180756 /nfs/dbraw/zinc/18/07/56/1279180756.db2.gz FXHXWALUGUDBMT-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCN(CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208352 /nfs/dbraw/zinc/20/83/52/1279208352.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 1 339.483 2.575 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114287396 1280129296 /nfs/dbraw/zinc/12/92/96/1280129296.db2.gz KNKQAHOTZPZADA-BDXSIMOUSA-N 2 1 333.520 2.652 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001129771035 1280342782 /nfs/dbraw/zinc/34/27/82/1280342782.db2.gz OFKKRNYCXDETIA-MSOLQXFVSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001129771035 1280342794 /nfs/dbraw/zinc/34/27/94/1280342794.db2.gz OFKKRNYCXDETIA-MSOLQXFVSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171245586 1280417282 /nfs/dbraw/zinc/41/72/82/1280417282.db2.gz ABLXGPODVAAZED-IEBWSBKVSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707363 1281003981 /nfs/dbraw/zinc/00/39/81/1281003981.db2.gz RMSGYGSHFJWQDR-ROUUACIJSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707363 1281003987 /nfs/dbraw/zinc/00/39/87/1281003987.db2.gz RMSGYGSHFJWQDR-ROUUACIJSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707364 1281004422 /nfs/dbraw/zinc/00/44/22/1281004422.db2.gz RMSGYGSHFJWQDR-ZWKOTPCHSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707364 1281004435 /nfs/dbraw/zinc/00/44/35/1281004435.db2.gz RMSGYGSHFJWQDR-ZWKOTPCHSA-N 2 1 331.504 2.958 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171306953 1281185570 /nfs/dbraw/zinc/18/55/70/1281185570.db2.gz DDFMXCOIAYXFMP-MJGOQNOKSA-N 2 1 347.547 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171306953 1281185571 /nfs/dbraw/zinc/18/55/71/1281185571.db2.gz DDFMXCOIAYXFMP-MJGOQNOKSA-N 2 1 347.547 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308348 1281192905 /nfs/dbraw/zinc/19/29/05/1281192905.db2.gz RBUKQCCTAPLJSG-ROUUACIJSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308348 1281192907 /nfs/dbraw/zinc/19/29/07/1281192907.db2.gz RBUKQCCTAPLJSG-ROUUACIJSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308304 1281193006 /nfs/dbraw/zinc/19/30/06/1281193006.db2.gz QNMBJUNBWDZBAS-FNYRVFDFSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308304 1281193011 /nfs/dbraw/zinc/19/30/11/1281193011.db2.gz QNMBJUNBWDZBAS-FNYRVFDFSA-N 2 1 333.520 2.705 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147582963 1281212729 /nfs/dbraw/zinc/21/27/29/1281212729.db2.gz KDVMSOQAARXTAP-FGTMMUONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582963 1281212733 /nfs/dbraw/zinc/21/27/33/1281212733.db2.gz KDVMSOQAARXTAP-FGTMMUONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582963 1281212738 /nfs/dbraw/zinc/21/27/38/1281212738.db2.gz KDVMSOQAARXTAP-FGTMMUONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658272 1281231106 /nfs/dbraw/zinc/23/11/06/1281231106.db2.gz NWAPVKRMXUSMQJ-IAGOWNOFSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147717578 1281245609 /nfs/dbraw/zinc/24/56/09/1281245609.db2.gz ZSDSDIFPUBVKNL-RTBURBONSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717578 1281245614 /nfs/dbraw/zinc/24/56/14/1281245614.db2.gz ZSDSDIFPUBVKNL-RTBURBONSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717578 1281245620 /nfs/dbraw/zinc/24/56/20/1281245620.db2.gz ZSDSDIFPUBVKNL-RTBURBONSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCCC)C2 ZINC001147736745 1281256608 /nfs/dbraw/zinc/25/66/08/1281256608.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCCC)C2 ZINC001147736745 1281256614 /nfs/dbraw/zinc/25/66/14/1281256614.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCCC)C2 ZINC001147736745 1281256621 /nfs/dbraw/zinc/25/66/21/1281256621.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCCC)C2 ZINC001147736745 1281256627 /nfs/dbraw/zinc/25/66/27/1281256627.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCCC)C2 ZINC001147736745 1281256634 /nfs/dbraw/zinc/25/66/34/1281256634.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564742 1287486945 /nfs/dbraw/zinc/48/69/45/1287486945.db2.gz DXRPWRJPXIYOAI-KRWDZBQOSA-N 2 1 332.492 2.685 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672503 1281381645 /nfs/dbraw/zinc/38/16/45/1281381645.db2.gz OYGSFHLOCRPVRX-XLIONFOSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017448 1281387383 /nfs/dbraw/zinc/38/73/83/1281387383.db2.gz OMOIHFQVQIVQST-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153028 1281429782 /nfs/dbraw/zinc/42/97/82/1281429782.db2.gz GHAFIVOEYDKDDI-MRXNPFEDSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284846 1281493312 /nfs/dbraw/zinc/49/33/12/1281493312.db2.gz HJJITXDIOAAOPG-ZWKOTPCHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148520011 1281581549 /nfs/dbraw/zinc/58/15/49/1281581549.db2.gz QEEQDKNWVKDNHP-GOSISDBHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738108 1281687174 /nfs/dbraw/zinc/68/71/74/1281687174.db2.gz QLYGOGZOWPUVAH-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738108 1281687179 /nfs/dbraw/zinc/68/71/79/1281687179.db2.gz QLYGOGZOWPUVAH-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738108 1281687187 /nfs/dbraw/zinc/68/71/87/1281687187.db2.gz QLYGOGZOWPUVAH-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928149 1281989923 /nfs/dbraw/zinc/98/99/23/1281989923.db2.gz WPQXSODELVMYSK-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809892 1282140284 /nfs/dbraw/zinc/14/02/84/1282140284.db2.gz ZEKXPFQKWDECSR-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809892 1282140289 /nfs/dbraw/zinc/14/02/89/1282140289.db2.gz ZEKXPFQKWDECSR-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809892 1282140296 /nfs/dbraw/zinc/14/02/96/1282140296.db2.gz ZEKXPFQKWDECSR-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092189603 1282448571 /nfs/dbraw/zinc/44/85/71/1282448571.db2.gz GHVLZNSLSROBOJ-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189603 1282448575 /nfs/dbraw/zinc/44/85/75/1282448575.db2.gz GHVLZNSLSROBOJ-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189603 1282448580 /nfs/dbraw/zinc/44/85/80/1282448580.db2.gz GHVLZNSLSROBOJ-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203856 1282462844 /nfs/dbraw/zinc/46/28/44/1282462844.db2.gz KWXCAIRJEQOZCL-UZLBHIALSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203856 1282462854 /nfs/dbraw/zinc/46/28/54/1282462854.db2.gz KWXCAIRJEQOZCL-UZLBHIALSA-N 2 1 342.487 2.508 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129098 1283012759 /nfs/dbraw/zinc/01/27/59/1283012759.db2.gz SAJDLJAXGAKFBT-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000810217437 1283045345 /nfs/dbraw/zinc/04/53/45/1283045345.db2.gz DJPTWJUPVZUFCA-QUCCMNQESA-N 2 1 325.456 2.779 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918839 1283093920 /nfs/dbraw/zinc/09/39/20/1283093920.db2.gz OLFCRDBIWGRBEN-NVXWUHKLSA-N 2 1 333.476 2.605 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731601 1283294524 /nfs/dbraw/zinc/29/45/24/1283294524.db2.gz WNQABHBDEWRPIW-HOCLYGCPSA-N 2 1 333.501 2.532 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310875 1283307583 /nfs/dbraw/zinc/30/75/83/1283307583.db2.gz PESSLRGKMGSINN-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310875 1283307591 /nfs/dbraw/zinc/30/75/91/1283307591.db2.gz PESSLRGKMGSINN-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310875 1283307603 /nfs/dbraw/zinc/30/76/03/1283307603.db2.gz PESSLRGKMGSINN-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310875 1283307614 /nfs/dbraw/zinc/30/76/14/1283307614.db2.gz PESSLRGKMGSINN-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748413 1283394079 /nfs/dbraw/zinc/39/40/79/1283394079.db2.gz DLUYIHFACIPCDH-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365122 1283408871 /nfs/dbraw/zinc/40/88/71/1283408871.db2.gz IHOMRCRTNDTRGG-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365122 1283408881 /nfs/dbraw/zinc/40/88/81/1283408881.db2.gz IHOMRCRTNDTRGG-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759320 1283462742 /nfs/dbraw/zinc/46/27/42/1283462742.db2.gz JWTCEYQZTDKFFE-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762214 1283477914 /nfs/dbraw/zinc/47/79/14/1283477914.db2.gz HADVVKDZBVOQEH-PKOBYXMFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222951 1283511370 /nfs/dbraw/zinc/51/13/70/1283511370.db2.gz TTWCJXLVHVEPCY-VQIMIIECSA-N 2 1 329.488 2.622 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426460 1283552164 /nfs/dbraw/zinc/55/21/64/1283552164.db2.gz XRVLHMCBPCUJDZ-MSOLQXFVSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@@H]21 ZINC001036779220 1283607675 /nfs/dbraw/zinc/60/76/75/1283607675.db2.gz GVHYQGSQDOHBGY-ICSRJNTNSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132487175 1283701527 /nfs/dbraw/zinc/70/15/27/1283701527.db2.gz RULPOPFUSAFIJW-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132487175 1283701536 /nfs/dbraw/zinc/70/15/36/1283701536.db2.gz RULPOPFUSAFIJW-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801285 1283767731 /nfs/dbraw/zinc/76/77/31/1283767731.db2.gz JDZNCVJMGJADFE-SJLPKXTDSA-N 2 1 345.487 2.844 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519516 1283782340 /nfs/dbraw/zinc/78/23/40/1283782340.db2.gz ZYRIGRWNDJBUKQ-AZUAARDMSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093372610 1283814069 /nfs/dbraw/zinc/81/40/69/1283814069.db2.gz FYCLTMXLORKAEO-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001093373922 1283818780 /nfs/dbraw/zinc/81/87/80/1283818780.db2.gz UZVRRUORKWJNBN-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093373922 1283818792 /nfs/dbraw/zinc/81/87/92/1283818792.db2.gz UZVRRUORKWJNBN-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093373922 1283818799 /nfs/dbraw/zinc/81/87/99/1283818799.db2.gz UZVRRUORKWJNBN-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093382844 1283854577 /nfs/dbraw/zinc/85/45/77/1283854577.db2.gz FDAKAEYABFWGHR-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382844 1283854590 /nfs/dbraw/zinc/85/45/90/1283854590.db2.gz FDAKAEYABFWGHR-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382844 1283854601 /nfs/dbraw/zinc/85/46/01/1283854601.db2.gz FDAKAEYABFWGHR-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815651900 1287671366 /nfs/dbraw/zinc/67/13/66/1287671366.db2.gz IBBIESIBGGZZEO-HNNXBMFYSA-N 2 1 335.289 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815651900 1287671383 /nfs/dbraw/zinc/67/13/83/1287671383.db2.gz IBBIESIBGGZZEO-HNNXBMFYSA-N 2 1 335.289 2.851 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541415 1283863741 /nfs/dbraw/zinc/86/37/41/1283863741.db2.gz FDROGFIKBAYHGX-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541415 1283863751 /nfs/dbraw/zinc/86/37/51/1283863751.db2.gz FDROGFIKBAYHGX-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541415 1283863758 /nfs/dbraw/zinc/86/37/58/1283863758.db2.gz FDROGFIKBAYHGX-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541415 1283863767 /nfs/dbraw/zinc/86/37/67/1283863767.db2.gz FDROGFIKBAYHGX-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671416 /nfs/dbraw/zinc/67/14/16/1287671416.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671427 /nfs/dbraw/zinc/67/14/27/1287671427.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671437 /nfs/dbraw/zinc/67/14/37/1287671437.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671446 /nfs/dbraw/zinc/67/14/46/1287671446.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671457 /nfs/dbraw/zinc/67/14/57/1287671457.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 1 339.527 2.832 20 30 EFEDMP C[C@H](C#N)OCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062588 1284012885 /nfs/dbraw/zinc/01/28/85/1284012885.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062588 1284012896 /nfs/dbraw/zinc/01/28/96/1284012896.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062588 1284012902 /nfs/dbraw/zinc/01/29/02/1284012902.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062588 1284012913 /nfs/dbraw/zinc/01/29/13/1284012913.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062588 1284012921 /nfs/dbraw/zinc/01/29/21/1284012921.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 1 327.472 2.902 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@H]21 ZINC001036821333 1284062434 /nfs/dbraw/zinc/06/24/34/1284062434.db2.gz YIEFNQXLFZJQQD-VQTJNVASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832563 1284137459 /nfs/dbraw/zinc/13/74/59/1284137459.db2.gz DYMCJTSGIBDHQL-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832563 1284137466 /nfs/dbraw/zinc/13/74/66/1284137466.db2.gz DYMCJTSGIBDHQL-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834307 1284146287 /nfs/dbraw/zinc/14/62/87/1284146287.db2.gz IAUFAEUHUHADQO-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834307 1284146293 /nfs/dbraw/zinc/14/62/93/1284146293.db2.gz IAUFAEUHUHADQO-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842184 1284241606 /nfs/dbraw/zinc/24/16/06/1284241606.db2.gz LJEAMIXLLKDJGH-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858891 1284335071 /nfs/dbraw/zinc/33/50/71/1284335071.db2.gz GZNJZVQKVIUSIF-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858893 1284335443 /nfs/dbraw/zinc/33/54/43/1284335443.db2.gz GZNJZVQKVIUSIF-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176112764 1287714310 /nfs/dbraw/zinc/71/43/10/1287714310.db2.gz ZHZSVNOFQCGMJM-OALUTQOASA-N 2 1 335.536 2.929 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132932643 1284485165 /nfs/dbraw/zinc/48/51/65/1284485165.db2.gz KOWNKXLUWVOPAK-DZGCQCFKSA-N 2 1 329.916 2.543 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012440 1284655059 /nfs/dbraw/zinc/65/50/59/1284655059.db2.gz QZWAICLMEDPFQZ-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147382 1284900414 /nfs/dbraw/zinc/90/04/14/1284900414.db2.gz SEUHPCDDDGPGGT-IRXDYDNUSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038242 /nfs/dbraw/zinc/03/82/42/1285038242.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038248 /nfs/dbraw/zinc/03/82/48/1285038248.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038253 /nfs/dbraw/zinc/03/82/53/1285038253.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133256069 1285095587 /nfs/dbraw/zinc/09/55/87/1285095587.db2.gz ZQDAHSHZINZPHG-ZBFHGGJFSA-N 2 1 329.916 2.545 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094496570 1285159354 /nfs/dbraw/zinc/15/93/54/1285159354.db2.gz BFXWAAMZRCTMEN-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094496570 1285159360 /nfs/dbraw/zinc/15/93/60/1285159360.db2.gz BFXWAAMZRCTMEN-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094496570 1285159371 /nfs/dbraw/zinc/15/93/71/1285159371.db2.gz BFXWAAMZRCTMEN-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470790 1285171136 /nfs/dbraw/zinc/17/11/36/1285171136.db2.gz XNLPUUJAJFPAQV-UYAOXDASSA-N 2 1 338.455 2.885 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001133398160 1285314574 /nfs/dbraw/zinc/31/45/74/1285314574.db2.gz HFLXXTALIUSSPV-UHFFFAOYSA-N 2 1 349.906 2.929 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133404005 1285356619 /nfs/dbraw/zinc/35/66/19/1285356619.db2.gz UJDCKSMIKVMVOJ-INIZCTEOSA-N 2 1 349.906 2.786 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CCC ZINC001133410639 1285371181 /nfs/dbraw/zinc/37/11/81/1285371181.db2.gz STOYNVIXASYGNT-UHFFFAOYSA-N 2 1 337.895 2.786 20 30 EFEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410571 1285372612 /nfs/dbraw/zinc/37/26/12/1285372612.db2.gz NXIZYXCVQZMNOE-UHFFFAOYSA-N 2 1 349.906 2.622 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161665 1285504087 /nfs/dbraw/zinc/50/40/87/1285504087.db2.gz OVCLMUHBGSIGAY-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826729 1285797801 /nfs/dbraw/zinc/79/78/01/1285797801.db2.gz VMHFBDXNRHRKRX-MRXNPFEDSA-N 2 1 332.492 2.603 20 30 EFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129261 1286013201 /nfs/dbraw/zinc/01/32/01/1286013201.db2.gz XXJWEFYOGPWJFG-BCDXTJNWSA-N 2 1 342.462 2.835 20 30 EFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129261 1286013204 /nfs/dbraw/zinc/01/32/04/1286013204.db2.gz XXJWEFYOGPWJFG-BCDXTJNWSA-N 2 1 342.462 2.835 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120864 1286030308 /nfs/dbraw/zinc/03/03/08/1286030308.db2.gz GPTOQUIKQLTZEF-MDMHHNQBSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120864 1286030309 /nfs/dbraw/zinc/03/03/09/1286030309.db2.gz GPTOQUIKQLTZEF-MDMHHNQBSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120864 1286030310 /nfs/dbraw/zinc/03/03/10/1286030310.db2.gz GPTOQUIKQLTZEF-MDMHHNQBSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120866 1286030369 /nfs/dbraw/zinc/03/03/69/1286030369.db2.gz GPTOQUIKQLTZEF-WPVAHCMFSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120866 1286030370 /nfs/dbraw/zinc/03/03/70/1286030370.db2.gz GPTOQUIKQLTZEF-WPVAHCMFSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120866 1286030371 /nfs/dbraw/zinc/03/03/71/1286030371.db2.gz GPTOQUIKQLTZEF-WPVAHCMFSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950940 1286280872 /nfs/dbraw/zinc/28/08/72/1286280872.db2.gz WNPPUXCPKJOPBP-JZXOWHBKSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717188 1286331472 /nfs/dbraw/zinc/33/14/72/1286331472.db2.gz KXHRJQBFZZXKRL-YQVWRLOYSA-N 2 1 333.520 2.844 20 30 EFEDMP CCN1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173360101 1286548152 /nfs/dbraw/zinc/54/81/52/1286548152.db2.gz XKQVSGUWZVRFTI-UFYCRDLUSA-N 2 1 326.488 2.724 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395369 1289119832 /nfs/dbraw/zinc/11/98/32/1289119832.db2.gz LUVCWHYGTBVZIS-SFHVURJKSA-N 2 1 346.519 2.986 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396154 1289121158 /nfs/dbraw/zinc/12/11/58/1289121158.db2.gz ZANKFXXTGILVTR-SFHVURJKSA-N 2 1 346.519 2.986 20 30 EFEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362048 1289125978 /nfs/dbraw/zinc/12/59/78/1289125978.db2.gz VCCQCPGBDDQTAZ-IBGZPJMESA-N 2 1 333.520 2.683 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773686 1287171694 /nfs/dbraw/zinc/17/16/94/1287171694.db2.gz QLKQSZXOTSNQSV-CVEARBPZSA-N 2 1 344.503 2.661 20 30 EFEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481202 1288036537 /nfs/dbraw/zinc/03/65/37/1288036537.db2.gz RGOBHBJMVMRYGQ-MSOLQXFVSA-N 2 1 331.504 2.610 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754638 1288120961 /nfs/dbraw/zinc/12/09/61/1288120961.db2.gz XEARDHIBIVSAAD-IBGZPJMESA-N 2 1 343.515 2.643 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760165 1288122398 /nfs/dbraw/zinc/12/23/98/1288122398.db2.gz QWRXDZQTWDYJOD-CVEARBPZSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820610 1288136072 /nfs/dbraw/zinc/13/60/72/1288136072.db2.gz RURYNWVJDQWVDA-SFHVURJKSA-N 2 1 331.504 2.959 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820610 1288136075 /nfs/dbraw/zinc/13/60/75/1288136075.db2.gz RURYNWVJDQWVDA-SFHVURJKSA-N 2 1 331.504 2.959 20 30 EFEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691440 1288268252 /nfs/dbraw/zinc/26/82/52/1288268252.db2.gz URPYOLDRASFVGR-ROUUACIJSA-N 2 1 341.540 2.574 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785655 1288367903 /nfs/dbraw/zinc/36/79/03/1288367903.db2.gz ZWDFXKFQYJOKSR-JKSUJKDBSA-N 2 1 341.459 2.720 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177265978 1288368894 /nfs/dbraw/zinc/36/88/94/1288368894.db2.gz AZNTZHDSZMMKIS-QGZVFWFLSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177324156 1288390545 /nfs/dbraw/zinc/39/05/45/1288390545.db2.gz QWWNXZHJXKWJHS-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177342103 1288400092 /nfs/dbraw/zinc/40/00/92/1288400092.db2.gz JFFPOKXWYJEGNB-FQEVSTJZSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177342103 1288400096 /nfs/dbraw/zinc/40/00/96/1288400096.db2.gz JFFPOKXWYJEGNB-FQEVSTJZSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114353442 1302765626 /nfs/dbraw/zinc/76/56/26/1302765626.db2.gz SBRXHBKBPLNYFE-QMCVQRASSA-N 2 1 347.528 2.824 20 30 EFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104011 1288758770 /nfs/dbraw/zinc/75/87/70/1288758770.db2.gz AUYHKIDDEPOMQF-SQNIBIBYSA-N 2 1 332.492 2.883 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104011 1288758774 /nfs/dbraw/zinc/75/87/74/1288758774.db2.gz AUYHKIDDEPOMQF-SQNIBIBYSA-N 2 1 332.492 2.883 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178722452 1288867475 /nfs/dbraw/zinc/86/74/75/1288867475.db2.gz HMKYAMYESHUFFX-SFHVURJKSA-N 2 1 335.536 2.786 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178722452 1288867480 /nfs/dbraw/zinc/86/74/80/1288867480.db2.gz HMKYAMYESHUFFX-SFHVURJKSA-N 2 1 335.536 2.786 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698165 1288875676 /nfs/dbraw/zinc/87/56/76/1288875676.db2.gz AJZPSQVYMKVLJR-KRWDZBQOSA-N 2 1 332.492 2.993 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698166 1288876003 /nfs/dbraw/zinc/87/60/03/1288876003.db2.gz AJZPSQVYMKVLJR-QGZVFWFLSA-N 2 1 332.492 2.993 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908288 1288977070 /nfs/dbraw/zinc/97/70/70/1288977070.db2.gz LBNAYNMUPAYWSV-UHFFFAOYSA-N 2 1 336.480 2.582 20 30 EFEDMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001179992429 1289359019 /nfs/dbraw/zinc/35/90/19/1289359019.db2.gz YEYVLDSRIDSMDJ-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001180035420 1289389397 /nfs/dbraw/zinc/38/93/97/1289389397.db2.gz DMCKCHZAJZOIKF-IBGZPJMESA-N 2 1 335.536 2.931 20 30 EFEDMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180369409 1289515317 /nfs/dbraw/zinc/51/53/17/1289515317.db2.gz DIGHLCPGXOQLKL-UHFFFAOYSA-N 2 1 343.515 2.645 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671856 1289895670 /nfs/dbraw/zinc/89/56/70/1289895670.db2.gz RKMNXSDXNGCDNA-QWFCFKBJSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001181763350 1289932779 /nfs/dbraw/zinc/93/27/79/1289932779.db2.gz GFWDVMVZIDDBSU-QLUPPNIVSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001181763350 1289932784 /nfs/dbraw/zinc/93/27/84/1289932784.db2.gz GFWDVMVZIDDBSU-QLUPPNIVSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205522 1312745651 /nfs/dbraw/zinc/74/56/51/1312745651.db2.gz MVIQBKGSTJUGTC-UHFFFAOYSA-N 2 1 344.503 2.604 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346194 1290175237 /nfs/dbraw/zinc/17/52/37/1290175237.db2.gz LTSUBBVUUWYZDI-WSTZPKSXSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240599 1290316390 /nfs/dbraw/zinc/31/63/90/1290316390.db2.gz MCQWRQWSNDRDDZ-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410968 1290340583 /nfs/dbraw/zinc/34/05/83/1290340583.db2.gz ULRUQMGXLSNYCI-WSTZPKSXSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170810 1290608211 /nfs/dbraw/zinc/60/82/11/1290608211.db2.gz RZKFQAZMJHOSFO-ROUUACIJSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170808 1290609006 /nfs/dbraw/zinc/60/90/06/1290609006.db2.gz RZKFQAZMJHOSFO-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662028 1290776418 /nfs/dbraw/zinc/77/64/18/1290776418.db2.gz BIWHTBNCWRDNLO-PIIMJCKOSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687791 1312820125 /nfs/dbraw/zinc/82/01/25/1312820125.db2.gz ZXKQSTPGDWHWSO-QAPCUYQASA-N 2 1 327.488 2.650 20 30 EFEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001186604568 1290998947 /nfs/dbraw/zinc/99/89/47/1290998947.db2.gz FJNMCDNCFMDAIQ-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186604568 1290998952 /nfs/dbraw/zinc/99/89/52/1290998952.db2.gz FJNMCDNCFMDAIQ-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186604568 1290998959 /nfs/dbraw/zinc/99/89/59/1290998959.db2.gz FJNMCDNCFMDAIQ-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1C#N ZINC001233102397 1312855635 /nfs/dbraw/zinc/85/56/35/1312855635.db2.gz YAOYOMAWGXSPHE-UHFFFAOYSA-N 2 1 330.451 2.681 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971278 1291533310 /nfs/dbraw/zinc/53/33/10/1291533310.db2.gz SLJGJALYWXUGEN-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545079 1291738850 /nfs/dbraw/zinc/73/88/50/1291738850.db2.gz GPOQPTNBPFJLAI-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957559655 1291765408 /nfs/dbraw/zinc/76/54/08/1291765408.db2.gz NTLXLPOOCGRFAV-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957560977 1291769056 /nfs/dbraw/zinc/76/90/56/1291769056.db2.gz BZYASPHIIIGVJA-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000957568287 1291780048 /nfs/dbraw/zinc/78/00/48/1291780048.db2.gz GUHYSQOGLFBONE-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[N@H+]1CCc2cc(C(=O)N3CCC([NH+](C)C)CC3)[nH]c2C1 ZINC001277780058 1312881979 /nfs/dbraw/zinc/88/19/79/1312881979.db2.gz ZRJFEIVKDDHAIF-UHFFFAOYSA-N 2 1 344.503 2.505 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957645010 1291954168 /nfs/dbraw/zinc/95/41/68/1291954168.db2.gz RLOXXNUNYBBIIM-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221455 1292049967 /nfs/dbraw/zinc/04/99/67/1292049967.db2.gz AQVVFKYFYUYZMT-MOPGFXCFSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221808 1292050254 /nfs/dbraw/zinc/05/02/54/1292050254.db2.gz ONWWSALDZWQMFM-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473583 1312900400 /nfs/dbraw/zinc/90/04/00/1312900400.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473583 1312900403 /nfs/dbraw/zinc/90/04/03/1312900403.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473583 1312900406 /nfs/dbraw/zinc/90/04/06/1312900406.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246316 1292077697 /nfs/dbraw/zinc/07/76/97/1292077697.db2.gz ACYQDJARLUWRNF-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246316 1292077706 /nfs/dbraw/zinc/07/77/06/1292077706.db2.gz ACYQDJARLUWRNF-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325102 1292117217 /nfs/dbraw/zinc/11/72/17/1292117217.db2.gz REAKXJZPNBOKNI-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652336 1312904582 /nfs/dbraw/zinc/90/45/82/1312904582.db2.gz RWXJXOPWRNQTJR-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652337 1312904759 /nfs/dbraw/zinc/90/47/59/1312904759.db2.gz RWXJXOPWRNQTJR-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445649 1292164754 /nfs/dbraw/zinc/16/47/54/1292164754.db2.gz ZJGIKFZPEHXGPJ-ZWKOTPCHSA-N 2 1 341.515 2.945 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654653 1312906896 /nfs/dbraw/zinc/90/68/96/1312906896.db2.gz IQCICFFQGUQYIQ-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660821 1312910081 /nfs/dbraw/zinc/91/00/81/1312910081.db2.gz BZTWKVRMJMMANM-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016663524 1312911481 /nfs/dbraw/zinc/91/14/81/1312911481.db2.gz SRHBAODHKBMWBF-DLBZAZTESA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663848 1312912130 /nfs/dbraw/zinc/91/21/30/1312912130.db2.gz UXJOHRKJVSZQMP-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190721308 1292290975 /nfs/dbraw/zinc/29/09/75/1292290975.db2.gz APXGSOHFMRCMPA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190721308 1292290981 /nfs/dbraw/zinc/29/09/81/1292290981.db2.gz APXGSOHFMRCMPA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190721308 1292290987 /nfs/dbraw/zinc/29/09/87/1292290987.db2.gz APXGSOHFMRCMPA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190721308 1292290993 /nfs/dbraw/zinc/29/09/93/1292290993.db2.gz APXGSOHFMRCMPA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001191008857 1292420981 /nfs/dbraw/zinc/42/09/81/1292420981.db2.gz CEMHOERIFGZXJH-ROUUACIJSA-N 2 1 346.519 2.949 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001191010830 1292424258 /nfs/dbraw/zinc/42/42/58/1292424258.db2.gz QSRYIZWKAWNOQJ-ROUUACIJSA-N 2 1 346.519 2.949 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191081325 1292456878 /nfs/dbraw/zinc/45/68/78/1292456878.db2.gz QZLWSYZYKAUVJV-QGZVFWFLSA-N 2 1 326.444 2.755 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145388 1292491916 /nfs/dbraw/zinc/49/19/16/1292491916.db2.gz UMLCYJLZGGWYGX-SFHVURJKSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701646 1312934594 /nfs/dbraw/zinc/93/45/94/1312934594.db2.gz CIPAXHBLFWJKLU-MSOLQXFVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701920 1312934629 /nfs/dbraw/zinc/93/46/29/1312934629.db2.gz GLYAUBMWEHIZDM-MSOLQXFVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515731 1292558043 /nfs/dbraw/zinc/55/80/43/1292558043.db2.gz VTIMOZNICSLMKY-IBGZPJMESA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551635 1292576983 /nfs/dbraw/zinc/57/69/83/1292576983.db2.gz ONKLRKVHEGLSND-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551635 1292576989 /nfs/dbraw/zinc/57/69/89/1292576989.db2.gz ONKLRKVHEGLSND-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551635 1292576994 /nfs/dbraw/zinc/57/69/94/1292576994.db2.gz ONKLRKVHEGLSND-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551635 1292577006 /nfs/dbraw/zinc/57/70/06/1292577006.db2.gz ONKLRKVHEGLSND-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203492967 1312938584 /nfs/dbraw/zinc/93/85/84/1312938584.db2.gz PJADOHIFFAZLDH-DLBZAZTESA-N 2 1 330.476 2.565 20 30 EFEDMP N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570967 1292653979 /nfs/dbraw/zinc/65/39/79/1292653979.db2.gz QWHMZHUZGMVHEF-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570967 1292653989 /nfs/dbraw/zinc/65/39/89/1292653989.db2.gz QWHMZHUZGMVHEF-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049515940 1312953061 /nfs/dbraw/zinc/95/30/61/1312953061.db2.gz WWDUMLNSRPLUPT-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515940 1312953066 /nfs/dbraw/zinc/95/30/66/1312953066.db2.gz WWDUMLNSRPLUPT-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515940 1312953069 /nfs/dbraw/zinc/95/30/69/1312953069.db2.gz WWDUMLNSRPLUPT-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525824 1312967229 /nfs/dbraw/zinc/96/72/29/1312967229.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525824 1312967231 /nfs/dbraw/zinc/96/72/31/1312967231.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525824 1312967232 /nfs/dbraw/zinc/96/72/32/1312967232.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 2 1 331.504 2.645 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(CC)CC ZINC001049527837 1312969807 /nfs/dbraw/zinc/96/98/07/1312969807.db2.gz BDOAOGKNHXBCIB-UFYCRDLUSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(CC)CC ZINC001049527837 1312969810 /nfs/dbraw/zinc/96/98/10/1312969810.db2.gz BDOAOGKNHXBCIB-UFYCRDLUSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049527837 1312969815 /nfs/dbraw/zinc/96/98/15/1312969815.db2.gz BDOAOGKNHXBCIB-UFYCRDLUSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049527837 1312969818 /nfs/dbraw/zinc/96/98/18/1312969818.db2.gz BDOAOGKNHXBCIB-UFYCRDLUSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049524471 1312965996 /nfs/dbraw/zinc/96/59/96/1312965996.db2.gz MDHXFYZALMGLCB-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524471 1312966000 /nfs/dbraw/zinc/96/60/00/1312966000.db2.gz MDHXFYZALMGLCB-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524471 1312966003 /nfs/dbraw/zinc/96/60/03/1312966003.db2.gz MDHXFYZALMGLCB-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192780107 1293036891 /nfs/dbraw/zinc/03/68/91/1293036891.db2.gz ZPLJDNKVKAYHOO-AEFFLSMTSA-N 2 1 332.492 2.867 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049538067 1312981464 /nfs/dbraw/zinc/98/14/64/1312981464.db2.gz SYTZGDNMKDFXPI-IXDOHACOSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049538067 1312981466 /nfs/dbraw/zinc/98/14/66/1312981466.db2.gz SYTZGDNMKDFXPI-IXDOHACOSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538067 1312981468 /nfs/dbraw/zinc/98/14/68/1312981468.db2.gz SYTZGDNMKDFXPI-IXDOHACOSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538067 1312981470 /nfs/dbraw/zinc/98/14/70/1312981470.db2.gz SYTZGDNMKDFXPI-IXDOHACOSA-N 2 1 339.911 2.679 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC001194226870 1293560818 /nfs/dbraw/zinc/56/08/18/1293560818.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 1 347.528 2.605 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862018 1313015500 /nfs/dbraw/zinc/01/55/00/1313015500.db2.gz RQFNWKIYXGZAHC-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448617 1293645673 /nfs/dbraw/zinc/64/56/73/1293645673.db2.gz IIFZKCPYIPRCCJ-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448617 1293645677 /nfs/dbraw/zinc/64/56/77/1293645677.db2.gz IIFZKCPYIPRCCJ-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448617 1293645680 /nfs/dbraw/zinc/64/56/80/1293645680.db2.gz IIFZKCPYIPRCCJ-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448617 1293645683 /nfs/dbraw/zinc/64/56/83/1293645683.db2.gz IIFZKCPYIPRCCJ-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560251 1313018412 /nfs/dbraw/zinc/01/84/12/1313018412.db2.gz CAKQICOJXNLXSM-OALUTQOASA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815664 1313023026 /nfs/dbraw/zinc/02/30/26/1313023026.db2.gz QKYFRWXGSPAVAQ-OALUTQOASA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815664 1313023030 /nfs/dbraw/zinc/02/30/30/1313023030.db2.gz QKYFRWXGSPAVAQ-OALUTQOASA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571774 1313034172 /nfs/dbraw/zinc/03/41/72/1313034172.db2.gz GXTBSOCALDYMHB-RBUKOAKNSA-N 2 1 338.455 2.979 20 30 EFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043725 /nfs/dbraw/zinc/04/37/25/1313043725.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043728 /nfs/dbraw/zinc/04/37/28/1313043728.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043732 /nfs/dbraw/zinc/04/37/32/1313043732.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043735 /nfs/dbraw/zinc/04/37/35/1313043735.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043740 /nfs/dbraw/zinc/04/37/40/1313043740.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 1 339.483 2.739 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203898695 1313043747 /nfs/dbraw/zinc/04/37/47/1313043747.db2.gz JHKQWKIUOMSEIO-UHFFFAOYSA-N 2 1 343.515 2.795 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922479 1313043981 /nfs/dbraw/zinc/04/39/81/1313043981.db2.gz DIKIUFWZQYWOCS-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903197 1313044537 /nfs/dbraw/zinc/04/45/37/1313044537.db2.gz SKTGIAYHECPYPN-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903197 1313044541 /nfs/dbraw/zinc/04/45/41/1313044541.db2.gz SKTGIAYHECPYPN-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903197 1313044544 /nfs/dbraw/zinc/04/45/44/1313044544.db2.gz SKTGIAYHECPYPN-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903197 1313044548 /nfs/dbraw/zinc/04/45/48/1313044548.db2.gz SKTGIAYHECPYPN-NHCUHLMSSA-N 2 1 339.483 2.739 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641887 1294302579 /nfs/dbraw/zinc/30/25/79/1294302579.db2.gz QQQNAIHICLTEDH-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619846 1294307817 /nfs/dbraw/zinc/30/78/17/1294307817.db2.gz NFUPYJWBTYPOEN-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985952 1313072877 /nfs/dbraw/zinc/07/28/77/1313072877.db2.gz NFEDLFOIRMYEJF-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943296 1294418691 /nfs/dbraw/zinc/41/86/91/1294418691.db2.gz NEJBIRHMQHLYJV-AEFFLSMTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943296 1294418694 /nfs/dbraw/zinc/41/86/94/1294418694.db2.gz NEJBIRHMQHLYJV-AEFFLSMTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943300 1294418908 /nfs/dbraw/zinc/41/89/08/1294418908.db2.gz NEJBIRHMQHLYJV-SJLPKXTDSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943300 1294418910 /nfs/dbraw/zinc/41/89/10/1294418910.db2.gz NEJBIRHMQHLYJV-SJLPKXTDSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158161 1294470371 /nfs/dbraw/zinc/47/03/71/1294470371.db2.gz JRHHPIFHQCNTID-WMZOPIPTSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158161 1294470373 /nfs/dbraw/zinc/47/03/73/1294470373.db2.gz JRHHPIFHQCNTID-WMZOPIPTSA-N 2 1 344.503 2.643 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCC2)cc1 ZINC000303719224 1294565282 /nfs/dbraw/zinc/56/52/82/1294565282.db2.gz VRWQCYJHFROQEB-GOSISDBHSA-N 2 1 330.476 2.633 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303774997 1294578104 /nfs/dbraw/zinc/57/81/04/1294578104.db2.gz GLTAIHCRQIKLEG-INIZCTEOSA-N 2 1 346.544 2.925 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000303776661 1294579630 /nfs/dbraw/zinc/57/96/30/1294579630.db2.gz HYMOYZYJUUQULR-INIZCTEOSA-N 2 1 328.416 2.852 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000303790623 1294581484 /nfs/dbraw/zinc/58/14/84/1294581484.db2.gz WQEDUMJFQKACBC-QGZVFWFLSA-N 2 1 326.444 2.595 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303863628 1294591456 /nfs/dbraw/zinc/59/14/56/1294591456.db2.gz AIWLGAGGVABHNE-MRXNPFEDSA-N 2 1 331.508 2.564 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303863627 1294591473 /nfs/dbraw/zinc/59/14/73/1294591473.db2.gz AIWLGAGGVABHNE-INIZCTEOSA-N 2 1 331.508 2.564 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000303881279 1294595837 /nfs/dbraw/zinc/59/58/37/1294595837.db2.gz KSDSZYVPZNWMST-AWEZNQCLSA-N 2 1 348.491 2.941 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303881118 1294595939 /nfs/dbraw/zinc/59/59/39/1294595939.db2.gz KQSIBAOXMKCHDD-IAGOWNOFSA-N 2 1 345.535 2.810 20 30 EFEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCCc1ccccc1 ZINC000303890798 1294597397 /nfs/dbraw/zinc/59/73/97/1294597397.db2.gz MQZHKLVHZQWJSH-UHFFFAOYSA-N 2 1 336.483 2.582 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000303883235 1294597914 /nfs/dbraw/zinc/59/79/14/1294597914.db2.gz IMARUHPCSZPSRP-HNNXBMFYSA-N 2 1 348.491 2.943 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303888779 1294598533 /nfs/dbraw/zinc/59/85/33/1294598533.db2.gz PDFIDDPDPLOOAH-HNNXBMFYSA-N 2 1 338.455 2.869 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303888779 1294598537 /nfs/dbraw/zinc/59/85/37/1294598537.db2.gz PDFIDDPDPLOOAH-HNNXBMFYSA-N 2 1 338.455 2.869 20 30 EFEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)C1 ZINC000303882585 1294598592 /nfs/dbraw/zinc/59/85/92/1294598592.db2.gz LPDHDWSVODCJGV-OAHLLOKOSA-N 2 1 348.491 2.943 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000303904166 1294601338 /nfs/dbraw/zinc/60/13/38/1294601338.db2.gz UTZPIAZLEYSOSH-MRXNPFEDSA-N 2 1 332.492 2.925 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000303902471 1294601526 /nfs/dbraw/zinc/60/15/26/1294601526.db2.gz UBBQVYQFLKOYLR-HNNXBMFYSA-N 2 1 348.491 2.943 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000303904213 1294601782 /nfs/dbraw/zinc/60/17/82/1294601782.db2.gz UVLLLSYQGVAWJR-CQSZACIVSA-N 2 1 346.475 2.695 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCC1 ZINC000303970408 1294611743 /nfs/dbraw/zinc/61/17/43/1294611743.db2.gz CONIPEOESKTNHG-QGZVFWFLSA-N 2 1 332.467 2.636 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615585 1313089526 /nfs/dbraw/zinc/08/95/26/1313089526.db2.gz LVBHONLXDKCDFK-GUDVDZBRSA-N 2 1 331.504 2.502 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC/C=C\CCC)CC2)CC1 ZINC001198236550 1294948268 /nfs/dbraw/zinc/94/82/68/1294948268.db2.gz OGHXBNVEUHPTRL-SREVYHEPSA-N 2 1 345.531 2.612 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198774830 1295245727 /nfs/dbraw/zinc/24/57/27/1295245727.db2.gz BFEYYNGGADBCEU-ZWKOTPCHSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198903219 1295306931 /nfs/dbraw/zinc/30/69/31/1295306931.db2.gz XMCPRTBDMDYWQO-AEFFLSMTSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198993271 1295388501 /nfs/dbraw/zinc/38/85/01/1295388501.db2.gz MDLXIGFEYAPAAQ-SFHVURJKSA-N 2 1 347.503 2.749 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049670759 1313162423 /nfs/dbraw/zinc/16/24/23/1313162423.db2.gz GPYPKJPOOVERNQ-MWDXBVQZSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670759 1313162426 /nfs/dbraw/zinc/16/24/26/1313162426.db2.gz GPYPKJPOOVERNQ-MWDXBVQZSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670759 1313162428 /nfs/dbraw/zinc/16/24/28/1313162428.db2.gz GPYPKJPOOVERNQ-MWDXBVQZSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670759 1313162430 /nfs/dbraw/zinc/16/24/30/1313162430.db2.gz GPYPKJPOOVERNQ-MWDXBVQZSA-N 2 1 339.911 2.535 20 30 EFEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104181518 1295733479 /nfs/dbraw/zinc/73/34/79/1295733479.db2.gz IBIBJCNPELEGSG-HNNXBMFYSA-N 2 1 346.475 2.695 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739480 1295746567 /nfs/dbraw/zinc/74/65/67/1295746567.db2.gz BGCAGPCNCIWJNA-OAHLLOKOSA-N 2 1 347.894 2.752 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750822 1295748453 /nfs/dbraw/zinc/74/84/53/1295748453.db2.gz ISKMERGLTOPGQF-RDJZCZTQSA-N 2 1 332.492 2.577 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000304746194 1295749010 /nfs/dbraw/zinc/74/90/10/1295749010.db2.gz FRZIFHASLWYFSP-CQSZACIVSA-N 2 1 334.464 2.552 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759803 1295750807 /nfs/dbraw/zinc/75/08/07/1295750807.db2.gz ROULKVDIIRUDMI-HNNXBMFYSA-N 2 1 332.517 2.700 20 30 EFEDMP CC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277889437 1313191228 /nfs/dbraw/zinc/19/12/28/1313191228.db2.gz PQBZTQXTMRZXRV-INIZCTEOSA-N 2 1 342.487 2.552 20 30 EFEDMP CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305179473 1295967353 /nfs/dbraw/zinc/96/73/53/1295967353.db2.gz BPJLDJGJPSQMPT-OAHLLOKOSA-N 2 1 338.883 2.627 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843065 1313202158 /nfs/dbraw/zinc/20/21/58/1313202158.db2.gz JZMNHVORHAQTTC-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843065 1313202161 /nfs/dbraw/zinc/20/21/61/1313202161.db2.gz JZMNHVORHAQTTC-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717934 1313219354 /nfs/dbraw/zinc/21/93/54/1313219354.db2.gz HQKJUKSDZGIJBY-UXHICEINSA-N 2 1 341.499 2.656 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000896 1313219388 /nfs/dbraw/zinc/21/93/88/1313219388.db2.gz MKNIBPLAKLFVQN-PKOBYXMFSA-N 2 1 335.492 2.629 20 30 EFEDMP C(#Cc1ccccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235036161 1313229135 /nfs/dbraw/zinc/22/91/35/1313229135.db2.gz IYWZKOMWWHUJLC-DHIUTWEWSA-N 2 1 346.474 2.897 20 30 EFEDMP CCCCCCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275132432 1296235010 /nfs/dbraw/zinc/23/50/10/1296235010.db2.gz SOWQGRCTNIVRBU-KDURUIRLSA-N 2 1 325.541 2.684 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001275132263 1296235786 /nfs/dbraw/zinc/23/57/86/1296235786.db2.gz PLFYUQFKPVFLET-UHFFFAOYSA-N 2 1 339.527 2.908 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275132263 1296235794 /nfs/dbraw/zinc/23/57/94/1296235794.db2.gz PLFYUQFKPVFLET-UHFFFAOYSA-N 2 1 339.527 2.908 20 30 EFEDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C#N)n1)Cc1ccccc12 ZINC001275605253 1296321778 /nfs/dbraw/zinc/32/17/78/1296321778.db2.gz GYIOAGXXUXPOLY-UHFFFAOYSA-N 2 1 332.451 2.932 20 30 EFEDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc12 ZINC001275605253 1296321793 /nfs/dbraw/zinc/32/17/93/1296321793.db2.gz GYIOAGXXUXPOLY-UHFFFAOYSA-N 2 1 332.451 2.932 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205334248 1313271026 /nfs/dbraw/zinc/27/10/26/1313271026.db2.gz IIWXACHTQXVOHB-YTQUADARSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043582 1296558571 /nfs/dbraw/zinc/55/85/71/1296558571.db2.gz DSDRLGIBFRGKOE-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340119 1313272223 /nfs/dbraw/zinc/27/22/23/1313272223.db2.gz SPOXZXBLQWMAEE-INIZCTEOSA-N 2 1 332.492 2.801 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053848 1296567466 /nfs/dbraw/zinc/56/74/66/1296567466.db2.gz ZFDZLEKOKYKVNX-NVXWUHKLSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768697 1313279168 /nfs/dbraw/zinc/27/91/68/1313279168.db2.gz YQMAGFLXRPOMED-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768530 1313279694 /nfs/dbraw/zinc/27/96/94/1313279694.db2.gz WWRHATAKSYJNKB-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768530 1313279699 /nfs/dbraw/zinc/27/96/99/1313279699.db2.gz WWRHATAKSYJNKB-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448582 1313291180 /nfs/dbraw/zinc/29/11/80/1313291180.db2.gz KCTHUOXOWICZAL-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960271637 1296680350 /nfs/dbraw/zinc/68/03/50/1296680350.db2.gz RRUGWIFMGIAAKE-YFVAEKQCSA-N 2 1 341.499 2.807 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960271636 1296680918 /nfs/dbraw/zinc/68/09/18/1296680918.db2.gz RRUGWIFMGIAAKE-FBBABVLZSA-N 2 1 341.499 2.807 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960276512 1296689678 /nfs/dbraw/zinc/68/96/78/1296689678.db2.gz XLCZUKIHCPCMKB-VAMGGRTRSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461460 1313293846 /nfs/dbraw/zinc/29/38/46/1313293846.db2.gz KCEGSCDSOACCJV-SJLPKXTDSA-N 2 1 344.503 2.943 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC#N)cc1 ZINC000776159071 1296758542 /nfs/dbraw/zinc/75/85/42/1296758542.db2.gz VQQYKHZZLNNHLI-OXJNMPFZSA-N 2 1 343.471 2.883 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000960335242 1296762123 /nfs/dbraw/zinc/76/21/23/1296762123.db2.gz VZDABSGUNORPKE-HSALFYBXSA-N 2 1 341.499 2.809 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205582562 1313317719 /nfs/dbraw/zinc/31/77/19/1313317719.db2.gz XSUYHCWELYTAMG-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205585960 1313318078 /nfs/dbraw/zinc/31/80/78/1313318078.db2.gz KNMANNUOVYZLKL-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201641007 1296993169 /nfs/dbraw/zinc/99/31/69/1296993169.db2.gz UHKXZXSQVLMPDD-MRXNPFEDSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H](N)Cc1ccccc1)C2 ZINC001235466105 1313330428 /nfs/dbraw/zinc/33/04/28/1313330428.db2.gz IQKJTDQQDSWUQB-TZIWHRDSSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569616 1297038099 /nfs/dbraw/zinc/03/80/99/1297038099.db2.gz TVKURWCXSXZLRY-WTGUMLROSA-N 2 1 345.531 2.796 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCCCC#N)CC3)cc1C#N ZINC001277949559 1313337825 /nfs/dbraw/zinc/33/78/25/1313337825.db2.gz XJFPATMFHQGYFT-UHFFFAOYSA-N 2 1 339.487 2.879 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703401 1313340988 /nfs/dbraw/zinc/34/09/88/1313340988.db2.gz DFYLJQGWLPGDOP-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809911 1297094716 /nfs/dbraw/zinc/09/47/16/1297094716.db2.gz RELOJUYUKIOROA-GOSISDBHSA-N 2 1 341.540 2.506 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000106246050 1297138427 /nfs/dbraw/zinc/13/84/27/1297138427.db2.gz ZTWVTFHFHWORKI-UHFFFAOYSA-N 2 1 329.488 2.653 20 30 EFEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136932 1297237534 /nfs/dbraw/zinc/23/75/34/1297237534.db2.gz PKXNPLXSPRMXLS-MOPGFXCFSA-N 2 1 332.536 2.808 20 30 EFEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136935 1297238476 /nfs/dbraw/zinc/23/84/76/1297238476.db2.gz PKXNPLXSPRMXLS-RTBURBONSA-N 2 1 332.536 2.808 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049836035 1313366211 /nfs/dbraw/zinc/36/62/11/1313366211.db2.gz NENOHJOGKREHBZ-QKNQBKEWSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049836035 1313366215 /nfs/dbraw/zinc/36/62/15/1313366215.db2.gz NENOHJOGKREHBZ-QKNQBKEWSA-N 2 1 341.499 2.715 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960677242 1297411834 /nfs/dbraw/zinc/41/18/34/1297411834.db2.gz SBNUURNIAUIVIL-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960677242 1297411839 /nfs/dbraw/zinc/41/18/39/1297411839.db2.gz SBNUURNIAUIVIL-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960677242 1297411846 /nfs/dbraw/zinc/41/18/46/1297411846.db2.gz SBNUURNIAUIVIL-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960677242 1297411850 /nfs/dbraw/zinc/41/18/50/1297411850.db2.gz SBNUURNIAUIVIL-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206056369 1313398220 /nfs/dbraw/zinc/39/82/20/1313398220.db2.gz COXPQPJKGQGQCY-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206067185 1313400267 /nfs/dbraw/zinc/40/02/67/1313400267.db2.gz FYFWNQRPPOSOJY-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C#CC[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834121 1313405896 /nfs/dbraw/zinc/40/58/96/1313405896.db2.gz LQFHCGCVCKKTNA-HXUWFJFHSA-N 2 1 348.446 2.997 20 30 EFEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555820 1313412821 /nfs/dbraw/zinc/41/28/21/1313412821.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555820 1313412822 /nfs/dbraw/zinc/41/28/22/1313412822.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555820 1313412826 /nfs/dbraw/zinc/41/28/26/1313412826.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555820 1313412830 /nfs/dbraw/zinc/41/28/30/1313412830.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555820 1313412832 /nfs/dbraw/zinc/41/28/32/1313412832.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235969102 1313424699 /nfs/dbraw/zinc/42/46/99/1313424699.db2.gz OEXJPBYYEFVMOS-PVAVHDDUSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235969102 1313424700 /nfs/dbraw/zinc/42/47/00/1313424700.db2.gz OEXJPBYYEFVMOS-PVAVHDDUSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235969099 1313425039 /nfs/dbraw/zinc/42/50/39/1313425039.db2.gz OEXJPBYYEFVMOS-DJIMGWMZSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235969099 1313425041 /nfs/dbraw/zinc/42/50/41/1313425041.db2.gz OEXJPBYYEFVMOS-DJIMGWMZSA-N 2 1 349.425 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017618245 1313440981 /nfs/dbraw/zinc/44/09/81/1313440981.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017618245 1313440984 /nfs/dbraw/zinc/44/09/84/1313440984.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017618245 1313440988 /nfs/dbraw/zinc/44/09/88/1313440988.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439790 1298010410 /nfs/dbraw/zinc/01/04/10/1298010410.db2.gz VSZMTNKTGQENPC-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439790 1298010421 /nfs/dbraw/zinc/01/04/21/1298010421.db2.gz VSZMTNKTGQENPC-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439790 1298010431 /nfs/dbraw/zinc/01/04/31/1298010431.db2.gz VSZMTNKTGQENPC-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549061 1313474144 /nfs/dbraw/zinc/47/41/44/1313474144.db2.gz UKFQMYONVOZBBI-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548486 1313474413 /nfs/dbraw/zinc/47/44/13/1313474413.db2.gz PXYXBUBGURWEMC-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP CCCCCCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236385781 1313475570 /nfs/dbraw/zinc/47/55/70/1313475570.db2.gz GYBTWGKEDMQEKW-UHFFFAOYSA-N 2 1 339.568 2.981 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914624 1313478096 /nfs/dbraw/zinc/47/80/96/1313478096.db2.gz QYDNJYIXBOJZSV-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914624 1313478098 /nfs/dbraw/zinc/47/80/98/1313478098.db2.gz QYDNJYIXBOJZSV-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915365 1313479278 /nfs/dbraw/zinc/47/92/78/1313479278.db2.gz UJROZUWIKQUIMC-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017696321 1313480080 /nfs/dbraw/zinc/48/00/80/1313480080.db2.gz QSQSSTXXYJHFSF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017696321 1313480082 /nfs/dbraw/zinc/48/00/82/1313480082.db2.gz QSQSSTXXYJHFSF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017696321 1313480084 /nfs/dbraw/zinc/48/00/84/1313480084.db2.gz QSQSSTXXYJHFSF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603385 1313482120 /nfs/dbraw/zinc/48/21/20/1313482120.db2.gz NXSBGJFLTVKLGO-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000961193897 1298288292 /nfs/dbraw/zinc/28/82/92/1298288292.db2.gz GCROVHRBIIBXBB-ZWKOTPCHSA-N 2 1 344.503 2.673 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197339 1298296462 /nfs/dbraw/zinc/29/64/62/1298296462.db2.gz NOZRLQINPJLQEW-MOPGFXCFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199450 1298304602 /nfs/dbraw/zinc/30/46/02/1298304602.db2.gz KJTIRDQKMQSPHZ-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214009 1298338918 /nfs/dbraw/zinc/33/89/18/1298338918.db2.gz RKORFEOHEYLJJQ-IAGOWNOFSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926417 1313496177 /nfs/dbraw/zinc/49/61/77/1313496177.db2.gz OVXDKVVVIMPRJF-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241603 1298400066 /nfs/dbraw/zinc/40/00/66/1298400066.db2.gz LVVADMJNRJSFPH-ROUUACIJSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241603 1298400077 /nfs/dbraw/zinc/40/00/77/1298400077.db2.gz LVVADMJNRJSFPH-ROUUACIJSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259106 1298438702 /nfs/dbraw/zinc/43/87/02/1298438702.db2.gz GBVYQYYNVPEIJP-IAGOWNOFSA-N 2 1 344.503 2.824 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259106 1298438703 /nfs/dbraw/zinc/43/87/03/1298438703.db2.gz GBVYQYYNVPEIJP-IAGOWNOFSA-N 2 1 344.503 2.824 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765669 1313517458 /nfs/dbraw/zinc/51/74/58/1313517458.db2.gz LFCROFSJURKHQS-CEXWTWQISA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961338514 1298576729 /nfs/dbraw/zinc/57/67/29/1298576729.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338514 1298576738 /nfs/dbraw/zinc/57/67/38/1298576738.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338514 1298576746 /nfs/dbraw/zinc/57/67/46/1298576746.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869143 1313530128 /nfs/dbraw/zinc/53/01/28/1313530128.db2.gz UYLHDXIHEGRAMD-FQEVSTJZSA-N 2 1 341.499 2.531 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961376331 1298644499 /nfs/dbraw/zinc/64/44/99/1298644499.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376331 1298644513 /nfs/dbraw/zinc/64/45/13/1298644513.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376331 1298644527 /nfs/dbraw/zinc/64/45/27/1298644527.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376800 1298646368 /nfs/dbraw/zinc/64/63/68/1298646368.db2.gz DHGAEYVPDATVNP-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376800 1298646380 /nfs/dbraw/zinc/64/63/80/1298646380.db2.gz DHGAEYVPDATVNP-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376800 1298646391 /nfs/dbraw/zinc/64/63/91/1298646391.db2.gz DHGAEYVPDATVNP-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872908 1313531698 /nfs/dbraw/zinc/53/16/98/1313531698.db2.gz YCHDAWXKMAMYFY-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379134 1298651741 /nfs/dbraw/zinc/65/17/41/1298651741.db2.gz QTHPXBMVCCQEJR-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395484 1298683419 /nfs/dbraw/zinc/68/34/19/1298683419.db2.gz XSJZIKWOSJFMFC-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961404133 1298697121 /nfs/dbraw/zinc/69/71/21/1298697121.db2.gz XNZMUJYKAXSIGW-VQTJNVASSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431283 1298739185 /nfs/dbraw/zinc/73/91/85/1298739185.db2.gz JQNXXCHGKXKEEM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431283 1298739192 /nfs/dbraw/zinc/73/91/92/1298739192.db2.gz JQNXXCHGKXKEEM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431283 1298739200 /nfs/dbraw/zinc/73/92/00/1298739200.db2.gz JQNXXCHGKXKEEM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961439266 1298748138 /nfs/dbraw/zinc/74/81/38/1298748138.db2.gz GWUXATNKEDMZPP-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961439266 1298748147 /nfs/dbraw/zinc/74/81/47/1298748147.db2.gz GWUXATNKEDMZPP-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441692 1298752425 /nfs/dbraw/zinc/75/24/25/1298752425.db2.gz QAQLQIUHJQBNLO-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441692 1298752434 /nfs/dbraw/zinc/75/24/34/1298752434.db2.gz QAQLQIUHJQBNLO-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961442502 1298754204 /nfs/dbraw/zinc/75/42/04/1298754204.db2.gz TWQQHWVZWIZCSA-IBGZPJMESA-N 2 1 333.520 2.609 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793243 1298867786 /nfs/dbraw/zinc/86/77/86/1298867786.db2.gz MHEGAJJRCSTSTQ-DLBZAZTESA-N 2 1 344.503 2.504 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953608 1313570309 /nfs/dbraw/zinc/57/03/09/1313570309.db2.gz VRFIMQJBPXYDNW-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1ccnc1C(C)C ZINC001018024309 1313645998 /nfs/dbraw/zinc/64/59/98/1313645998.db2.gz QYKVHVYILBBWBA-CALCHBBNSA-N 2 1 330.476 2.648 20 30 EFEDMP CC(C)[N@H+]1CCCC[C@H]1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853674383 1300224730 /nfs/dbraw/zinc/22/47/30/1300224730.db2.gz XKNNZTQNYQNRRV-SFHVURJKSA-N 2 1 332.492 2.648 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776742205 1300573307 /nfs/dbraw/zinc/57/33/07/1300573307.db2.gz ZFRAORDCDVNCPZ-HUUCEWRRSA-N 2 1 331.435 2.849 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314266 1300575622 /nfs/dbraw/zinc/57/56/22/1300575622.db2.gz KGHMRRFEPKNNSM-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345247 1300650291 /nfs/dbraw/zinc/65/02/91/1300650291.db2.gz FKULXKZRADWFCV-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360163 1300684434 /nfs/dbraw/zinc/68/44/34/1300684434.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360163 1300684438 /nfs/dbraw/zinc/68/44/38/1300684438.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360163 1300684447 /nfs/dbraw/zinc/68/44/47/1300684447.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367373 1300704406 /nfs/dbraw/zinc/70/44/06/1300704406.db2.gz OOKLOAVBTLYJQH-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384580 1300742484 /nfs/dbraw/zinc/74/24/84/1300742484.db2.gz VHAFAMHRZVEINK-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384997 1300743248 /nfs/dbraw/zinc/74/32/48/1300743248.db2.gz YZGZTIBBPISADT-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387962 1300749821 /nfs/dbraw/zinc/74/98/21/1300749821.db2.gz XILSAKVILXTDRN-IAGOWNOFSA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387962 1300749829 /nfs/dbraw/zinc/74/98/29/1300749829.db2.gz XILSAKVILXTDRN-IAGOWNOFSA-N 2 1 344.503 2.966 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432059 1300844351 /nfs/dbraw/zinc/84/43/51/1300844351.db2.gz ZTDHGVBVSAHIDI-UXHICEINSA-N 2 1 345.531 2.589 20 30 EFEDMP N#Cc1ccc(CC[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278167937 1313737119 /nfs/dbraw/zinc/73/71/19/1313737119.db2.gz VFICPHSVQPLYDA-UHFFFAOYSA-N 2 1 349.482 2.812 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000963845239 1301370145 /nfs/dbraw/zinc/37/01/45/1301370145.db2.gz ZLTAWBCKCVZLJB-AOCRQIFASA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963947006 1301505027 /nfs/dbraw/zinc/50/50/27/1301505027.db2.gz LWFHXMGYAZFMRC-WZXTXQKWSA-N 2 1 333.520 2.842 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000964154557 1301679228 /nfs/dbraw/zinc/67/92/28/1301679228.db2.gz WXVBPZZRBBOKBJ-ACBHZAAOSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114606835 1302317166 /nfs/dbraw/zinc/31/71/66/1302317166.db2.gz IQIZZNTUNLCRNC-FUMNGEBKSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208050247 1313834922 /nfs/dbraw/zinc/83/49/22/1313834922.db2.gz WWFUGMFIOZGHCF-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097077726 1313840317 /nfs/dbraw/zinc/84/03/17/1313840317.db2.gz GDOVVEOUABSMCI-OWYHZJEWSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097077726 1313840321 /nfs/dbraw/zinc/84/03/21/1313840321.db2.gz GDOVVEOUABSMCI-OWYHZJEWSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073446 1313840864 /nfs/dbraw/zinc/84/08/64/1313840864.db2.gz JZXUZQMMDDVKOT-SJORKVTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079048 1313841111 /nfs/dbraw/zinc/84/11/11/1313841111.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079048 1313841112 /nfs/dbraw/zinc/84/11/12/1313841112.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079048 1313841115 /nfs/dbraw/zinc/84/11/15/1313841115.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CC1 ZINC001208175125 1313861788 /nfs/dbraw/zinc/86/17/88/1313861788.db2.gz NRNLJGJWVUWLQK-NJDAHSKKSA-N 2 1 348.531 2.958 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CC1 ZINC001208175125 1313861790 /nfs/dbraw/zinc/86/17/90/1313861790.db2.gz NRNLJGJWVUWLQK-NJDAHSKKSA-N 2 1 348.531 2.958 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CC1 ZINC001208175125 1313861793 /nfs/dbraw/zinc/86/17/93/1313861793.db2.gz NRNLJGJWVUWLQK-NJDAHSKKSA-N 2 1 348.531 2.958 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001208176127 1313861831 /nfs/dbraw/zinc/86/18/31/1313861831.db2.gz AKEPSFWWWLPMNF-LJQANCHMSA-N 2 1 345.531 2.775 20 30 EFEDMP CCCCCCCCCNC(=S)NCCC[N@@H+](C)CCC[NH3+] ZINC001239376092 1313931245 /nfs/dbraw/zinc/93/12/45/1313931245.db2.gz QJNOSUTWRSLDGM-UHFFFAOYSA-N 2 1 330.586 2.872 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114403030 1303870827 /nfs/dbraw/zinc/87/08/27/1303870827.db2.gz MBUMYSDXHISYSX-VNTMZGSJSA-N 2 1 349.563 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001114403030 1303870832 /nfs/dbraw/zinc/87/08/32/1303870832.db2.gz MBUMYSDXHISYSX-VNTMZGSJSA-N 2 1 349.563 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001114403030 1303870838 /nfs/dbraw/zinc/87/08/38/1303870838.db2.gz MBUMYSDXHISYSX-VNTMZGSJSA-N 2 1 349.563 2.981 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576880 1313966647 /nfs/dbraw/zinc/96/66/47/1313966647.db2.gz RZDJIHCRFUBBKG-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208600098 1313972572 /nfs/dbraw/zinc/97/25/72/1313972572.db2.gz QBXUNDCHQWUAIO-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114422786 1304305383 /nfs/dbraw/zinc/30/53/83/1304305383.db2.gz IIJHPYQULAWTCL-PNYFIKQUSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114422786 1304305386 /nfs/dbraw/zinc/30/53/86/1304305386.db2.gz IIJHPYQULAWTCL-PNYFIKQUSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114422786 1304305388 /nfs/dbraw/zinc/30/53/88/1304305388.db2.gz IIJHPYQULAWTCL-PNYFIKQUSA-N 2 1 335.536 2.878 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001208676296 1313991991 /nfs/dbraw/zinc/99/19/91/1313991991.db2.gz LHADDPCAMNCWND-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676296 1313991994 /nfs/dbraw/zinc/99/19/94/1313991994.db2.gz LHADDPCAMNCWND-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676296 1313991997 /nfs/dbraw/zinc/99/19/97/1313991997.db2.gz LHADDPCAMNCWND-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676296 1313992001 /nfs/dbraw/zinc/99/20/01/1313992001.db2.gz LHADDPCAMNCWND-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676296 1313992005 /nfs/dbraw/zinc/99/20/05/1313992005.db2.gz LHADDPCAMNCWND-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264988 1304775885 /nfs/dbraw/zinc/77/58/85/1304775885.db2.gz RQLLMORHCFPPNX-CRAIPNDOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398387 1314016700 /nfs/dbraw/zinc/01/67/00/1314016700.db2.gz HCPDNPCGWHSICX-LZQZEXGQSA-N 2 1 338.455 2.944 20 30 EFEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934641 1304917722 /nfs/dbraw/zinc/91/77/22/1304917722.db2.gz NPRWUBUVVKNDFL-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397858 1304944940 /nfs/dbraw/zinc/94/49/40/1304944940.db2.gz SSKQTHCAYQEZGN-MAUKXSAKSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097406387 1314038072 /nfs/dbraw/zinc/03/80/72/1314038072.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406387 1314038076 /nfs/dbraw/zinc/03/80/76/1314038076.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406387 1314038077 /nfs/dbraw/zinc/03/80/77/1314038077.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCN(CC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(=O)OCC ZINC001209021836 1314072219 /nfs/dbraw/zinc/07/22/19/1314072219.db2.gz MWISCYRQJWXKCE-GOSISDBHSA-N 2 1 337.508 2.971 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(=O)OCC ZINC001209021836 1314072221 /nfs/dbraw/zinc/07/22/21/1314072221.db2.gz MWISCYRQJWXKCE-GOSISDBHSA-N 2 1 337.508 2.971 20 30 EFEDMP C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209203005 1314114912 /nfs/dbraw/zinc/11/49/12/1314114912.db2.gz KDUFKSPCDMIDTF-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525366 1306431126 /nfs/dbraw/zinc/43/11/26/1306431126.db2.gz QGCKNFMVBGVJTQ-QFBILLFUSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209263406 1314128268 /nfs/dbraw/zinc/12/82/68/1314128268.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 2 1 330.516 2.860 20 30 EFEDMP C#CCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209263406 1314128271 /nfs/dbraw/zinc/12/82/71/1314128271.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 2 1 330.516 2.860 20 30 EFEDMP C#CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209263406 1314128273 /nfs/dbraw/zinc/12/82/73/1314128273.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 2 1 330.516 2.860 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681086 1306563512 /nfs/dbraw/zinc/56/35/12/1306563512.db2.gz GQERGRDZTSLJJV-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681891 1306563950 /nfs/dbraw/zinc/56/39/50/1306563950.db2.gz MIDFBNBDVXUIJP-XLIONFOSSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924806 1306575749 /nfs/dbraw/zinc/57/57/49/1306575749.db2.gz JETVMKDHULRPGN-RUYXUALKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927188 1306707971 /nfs/dbraw/zinc/70/79/71/1306707971.db2.gz JHHHBRHKCFSWGI-IMBTUZDBSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927188 1306707975 /nfs/dbraw/zinc/70/79/75/1306707975.db2.gz JHHHBRHKCFSWGI-IMBTUZDBSA-N 2 1 344.503 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867322 1306737598 /nfs/dbraw/zinc/73/75/98/1306737598.db2.gz UOYJXVASBNWQQX-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867322 1306737601 /nfs/dbraw/zinc/73/76/01/1306737601.db2.gz UOYJXVASBNWQQX-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867322 1306737603 /nfs/dbraw/zinc/73/76/03/1306737603.db2.gz UOYJXVASBNWQQX-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867322 1306737607 /nfs/dbraw/zinc/73/76/07/1306737607.db2.gz UOYJXVASBNWQQX-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887356 1306759895 /nfs/dbraw/zinc/75/98/95/1306759895.db2.gz BRGSMCSTHOWAFG-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887356 1306759901 /nfs/dbraw/zinc/75/99/01/1306759901.db2.gz BRGSMCSTHOWAFG-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887356 1306759908 /nfs/dbraw/zinc/75/99/08/1306759908.db2.gz BRGSMCSTHOWAFG-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001209351279 1314145566 /nfs/dbraw/zinc/14/55/66/1314145566.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 1 334.508 2.995 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209351279 1314145568 /nfs/dbraw/zinc/14/55/68/1314145568.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 1 334.508 2.995 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209351279 1314145572 /nfs/dbraw/zinc/14/55/72/1314145572.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 1 334.508 2.995 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044767226 1306786793 /nfs/dbraw/zinc/78/67/93/1306786793.db2.gz MQPPMWZSLDXKAE-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925358 1306802221 /nfs/dbraw/zinc/80/22/21/1306802221.db2.gz AWUVNCBORLFVGZ-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925969 1306804959 /nfs/dbraw/zinc/80/49/59/1306804959.db2.gz QWHPKLREJNCWLF-KRWDZBQOSA-N 2 1 338.455 2.640 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955227 1306837171 /nfs/dbraw/zinc/83/71/71/1306837171.db2.gz PHBBGFMDJSKVMJ-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437520 1307338050 /nfs/dbraw/zinc/33/80/50/1307338050.db2.gz BDQDQLNYEIHTPO-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437520 1307338056 /nfs/dbraw/zinc/33/80/56/1307338056.db2.gz BDQDQLNYEIHTPO-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437996 1307338488 /nfs/dbraw/zinc/33/84/88/1307338488.db2.gz IJEPDBOXYSWYQR-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458242 1307353880 /nfs/dbraw/zinc/35/38/80/1307353880.db2.gz BWZCVDHZSCKBIP-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458242 1307353883 /nfs/dbraw/zinc/35/38/83/1307353883.db2.gz BWZCVDHZSCKBIP-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343794 1307380685 /nfs/dbraw/zinc/38/06/85/1307380685.db2.gz OHNOQRCZGPCWPB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007343794 1307380689 /nfs/dbraw/zinc/38/06/89/1307380689.db2.gz OHNOQRCZGPCWPB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007343794 1307380692 /nfs/dbraw/zinc/38/06/92/1307380692.db2.gz OHNOQRCZGPCWPB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585468 1307449065 /nfs/dbraw/zinc/44/90/65/1307449065.db2.gz QTYPUBFWCUNELJ-JKSUJKDBSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585468 1307449067 /nfs/dbraw/zinc/44/90/67/1307449067.db2.gz QTYPUBFWCUNELJ-JKSUJKDBSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498194 1307472023 /nfs/dbraw/zinc/47/20/23/1307472023.db2.gz ISUVXRXRKJFELU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498194 1307472024 /nfs/dbraw/zinc/47/20/24/1307472024.db2.gz ISUVXRXRKJFELU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498194 1307472027 /nfs/dbraw/zinc/47/20/27/1307472027.db2.gz ISUVXRXRKJFELU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723878 1307569654 /nfs/dbraw/zinc/56/96/54/1307569654.db2.gz RTMWJZUOQBINFF-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938830 1307941448 /nfs/dbraw/zinc/94/14/48/1307941448.db2.gz MCFBYPDSKJCTPC-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938830 1307941452 /nfs/dbraw/zinc/94/14/52/1307941452.db2.gz MCFBYPDSKJCTPC-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938830 1307941458 /nfs/dbraw/zinc/94/14/58/1307941458.db2.gz MCFBYPDSKJCTPC-QKNQBKEWSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939129 1307943027 /nfs/dbraw/zinc/94/30/27/1307943027.db2.gz WDWBIVBDRJJGEJ-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939129 1307943029 /nfs/dbraw/zinc/94/30/29/1307943029.db2.gz WDWBIVBDRJJGEJ-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939129 1307943031 /nfs/dbraw/zinc/94/30/31/1307943031.db2.gz WDWBIVBDRJJGEJ-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939119 1307943347 /nfs/dbraw/zinc/94/33/47/1307943347.db2.gz VXFFYJZHAQOVER-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939119 1307943349 /nfs/dbraw/zinc/94/33/49/1307943349.db2.gz VXFFYJZHAQOVER-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939119 1307943357 /nfs/dbraw/zinc/94/33/57/1307943357.db2.gz VXFFYJZHAQOVER-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045941899 1307951467 /nfs/dbraw/zinc/95/14/67/1307951467.db2.gz OMNYTJSUGPCDDM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941899 1307951472 /nfs/dbraw/zinc/95/14/72/1307951472.db2.gz OMNYTJSUGPCDDM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941899 1307951475 /nfs/dbraw/zinc/95/14/75/1307951475.db2.gz OMNYTJSUGPCDDM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942566 1307953886 /nfs/dbraw/zinc/95/38/86/1307953886.db2.gz UQCHSQUAIMKCPA-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCCC)C2)C1 ZINC001045943020 1307956452 /nfs/dbraw/zinc/95/64/52/1307956452.db2.gz FEFLDYSTADIMLJ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001045943020 1307956456 /nfs/dbraw/zinc/95/64/56/1307956456.db2.gz FEFLDYSTADIMLJ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001045943020 1307956463 /nfs/dbraw/zinc/95/64/63/1307956463.db2.gz FEFLDYSTADIMLJ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001045943020 1307956468 /nfs/dbraw/zinc/95/64/68/1307956468.db2.gz FEFLDYSTADIMLJ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943951 1307959354 /nfs/dbraw/zinc/95/93/54/1307959354.db2.gz SAVHMMHZVMCKDI-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943951 1307959359 /nfs/dbraw/zinc/95/93/59/1307959359.db2.gz SAVHMMHZVMCKDI-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943895 1307959374 /nfs/dbraw/zinc/95/93/74/1307959374.db2.gz QVNYANRVSNOEJN-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945554 1307965764 /nfs/dbraw/zinc/96/57/64/1307965764.db2.gz VUBKVFRAZURXSZ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945554 1307965770 /nfs/dbraw/zinc/96/57/70/1307965770.db2.gz VUBKVFRAZURXSZ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945554 1307965775 /nfs/dbraw/zinc/96/57/75/1307965775.db2.gz VUBKVFRAZURXSZ-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045952478 1307985044 /nfs/dbraw/zinc/98/50/44/1307985044.db2.gz RAGUIHKPRRNKMG-FQEVSTJZSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045952478 1307985050 /nfs/dbraw/zinc/98/50/50/1307985050.db2.gz RAGUIHKPRRNKMG-FQEVSTJZSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961266 1308008517 /nfs/dbraw/zinc/00/85/17/1308008517.db2.gz KFEPRGHGCUBAMH-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961266 1308008523 /nfs/dbraw/zinc/00/85/23/1308008523.db2.gz KFEPRGHGCUBAMH-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961266 1308008528 /nfs/dbraw/zinc/00/85/28/1308008528.db2.gz KFEPRGHGCUBAMH-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961260 1308008767 /nfs/dbraw/zinc/00/87/67/1308008767.db2.gz JYPIRWQAOQMLEQ-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961260 1308008772 /nfs/dbraw/zinc/00/87/72/1308008772.db2.gz JYPIRWQAOQMLEQ-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961260 1308008778 /nfs/dbraw/zinc/00/87/78/1308008778.db2.gz JYPIRWQAOQMLEQ-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045967389 1308024882 /nfs/dbraw/zinc/02/48/82/1308024882.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967389 1308024885 /nfs/dbraw/zinc/02/48/85/1308024885.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967389 1308024888 /nfs/dbraw/zinc/02/48/88/1308024888.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045967390 1308025078 /nfs/dbraw/zinc/02/50/78/1308025078.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967390 1308025080 /nfs/dbraw/zinc/02/50/80/1308025080.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967390 1308025085 /nfs/dbraw/zinc/02/50/85/1308025085.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970117 1308034535 /nfs/dbraw/zinc/03/45/35/1308034535.db2.gz BGQIOKBPLCEKLA-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045973507 1308043422 /nfs/dbraw/zinc/04/34/22/1308043422.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973507 1308043427 /nfs/dbraw/zinc/04/34/27/1308043427.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973507 1308043431 /nfs/dbraw/zinc/04/34/31/1308043431.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001045981793 1308071637 /nfs/dbraw/zinc/07/16/37/1308071637.db2.gz GGTTZCOWFRCJQI-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001045981793 1308071642 /nfs/dbraw/zinc/07/16/42/1308071642.db2.gz GGTTZCOWFRCJQI-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001045981793 1308071645 /nfs/dbraw/zinc/07/16/45/1308071645.db2.gz GGTTZCOWFRCJQI-RTWAWAEBSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045985951 1308085560 /nfs/dbraw/zinc/08/55/60/1308085560.db2.gz FLZTYJRTIOEKAC-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045985951 1308085565 /nfs/dbraw/zinc/08/55/65/1308085565.db2.gz FLZTYJRTIOEKAC-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045985951 1308085570 /nfs/dbraw/zinc/08/55/70/1308085570.db2.gz FLZTYJRTIOEKAC-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986341 1308086640 /nfs/dbraw/zinc/08/66/40/1308086640.db2.gz NWCGSNDJOQXKTN-NRFANRHFSA-N 2 1 345.531 2.590 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883728 1314253325 /nfs/dbraw/zinc/25/33/25/1314253325.db2.gz OGQZLOGTTLTWGZ-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133380 1314285690 /nfs/dbraw/zinc/28/56/90/1314285690.db2.gz OFIKLIUUXPWLBT-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210212766 1314295672 /nfs/dbraw/zinc/29/56/72/1314295672.db2.gz AQUXYHBQRCBTBP-YFVAEKQCSA-N 2 1 343.515 2.866 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210212766 1314295674 /nfs/dbraw/zinc/29/56/74/1314295674.db2.gz AQUXYHBQRCBTBP-YFVAEKQCSA-N 2 1 343.515 2.866 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213647 1314296246 /nfs/dbraw/zinc/29/62/46/1314296246.db2.gz MHLJWHNISHOQRR-YFVAEKQCSA-N 2 1 343.515 2.866 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213647 1314296248 /nfs/dbraw/zinc/29/62/48/1314296248.db2.gz MHLJWHNISHOQRR-YFVAEKQCSA-N 2 1 343.515 2.866 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337893 1314316136 /nfs/dbraw/zinc/31/61/36/1314316136.db2.gz XELIFYLHWLBLKF-SJLPKXTDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337893 1314316140 /nfs/dbraw/zinc/31/61/40/1314316140.db2.gz XELIFYLHWLBLKF-SJLPKXTDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712255 1314319099 /nfs/dbraw/zinc/31/90/99/1314319099.db2.gz GEVIYZAUQHKCTO-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712255 1314319103 /nfs/dbraw/zinc/31/91/03/1314319103.db2.gz GEVIYZAUQHKCTO-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864113 1309559744 /nfs/dbraw/zinc/55/97/44/1309559744.db2.gz ONTNIXGKKWJRCI-IBGZPJMESA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046954153 1309758170 /nfs/dbraw/zinc/75/81/70/1309758170.db2.gz QLDVXACVYBVXNO-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954153 1309758180 /nfs/dbraw/zinc/75/81/80/1309758180.db2.gz QLDVXACVYBVXNO-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954153 1309758185 /nfs/dbraw/zinc/75/81/85/1309758185.db2.gz QLDVXACVYBVXNO-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP N#Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276686721 1314353489 /nfs/dbraw/zinc/35/34/89/1314353489.db2.gz HEHQFUMSZVBBPF-HDICACEKSA-N 2 1 335.455 2.625 20 30 EFEDMP N#Cc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276686721 1314353492 /nfs/dbraw/zinc/35/34/92/1314353492.db2.gz HEHQFUMSZVBBPF-HDICACEKSA-N 2 1 335.455 2.625 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633432 1314364631 /nfs/dbraw/zinc/36/46/31/1314364631.db2.gz CAPKOFKERMNXTR-RBUKOAKNSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633430 1314364660 /nfs/dbraw/zinc/36/46/60/1314364660.db2.gz CAPKOFKERMNXTR-MOPGFXCFSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231813 1310369893 /nfs/dbraw/zinc/36/98/93/1310369893.db2.gz QDLTWGSVLLXLGU-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241414 1310391657 /nfs/dbraw/zinc/39/16/57/1310391657.db2.gz POVPBVASCMLIQQ-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047251848 1310419177 /nfs/dbraw/zinc/41/91/77/1310419177.db2.gz XNQYVEKKQHZIDJ-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257028 1310431860 /nfs/dbraw/zinc/43/18/60/1310431860.db2.gz OLXSOUWOQMJTMN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265379 1310458267 /nfs/dbraw/zinc/45/82/67/1310458267.db2.gz ZBQLHHSEOZOAIR-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836248 1314407033 /nfs/dbraw/zinc/40/70/33/1314407033.db2.gz HKKVTUJKKNWAPO-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692810 1311013413 /nfs/dbraw/zinc/01/34/13/1311013413.db2.gz NBEKWRTXXAUMMW-QZTJIDSGSA-N 2 1 332.492 2.695 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692810 1311013415 /nfs/dbraw/zinc/01/34/15/1311013415.db2.gz NBEKWRTXXAUMMW-QZTJIDSGSA-N 2 1 332.492 2.695 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713951 1311017442 /nfs/dbraw/zinc/01/74/42/1311017442.db2.gz GTPDKYPYUHUQEP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713951 1311017443 /nfs/dbraw/zinc/01/74/43/1311017443.db2.gz GTPDKYPYUHUQEP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713951 1311017445 /nfs/dbraw/zinc/01/74/45/1311017445.db2.gz GTPDKYPYUHUQEP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793024 1311032426 /nfs/dbraw/zinc/03/24/26/1311032426.db2.gz KHSYTRKIARWQBK-GUDVDZBRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848236 1311042346 /nfs/dbraw/zinc/04/23/46/1311042346.db2.gz FVSKSHQVVKRXCX-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045412 1311074117 /nfs/dbraw/zinc/07/41/17/1311074117.db2.gz JJDBQTAWYGRYFR-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344992 1311088996 /nfs/dbraw/zinc/08/89/96/1311088996.db2.gz SBWBENKCPNLTMF-LJQANCHMSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547256 1311100803 /nfs/dbraw/zinc/10/08/03/1311100803.db2.gz BRHJOHSPLZXARO-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547361 1311100896 /nfs/dbraw/zinc/10/08/96/1311100896.db2.gz DLXXOOPAUWBPFN-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222265805 1311107535 /nfs/dbraw/zinc/10/75/35/1311107535.db2.gz ZLVGCSZONBIYNM-FQEVSTJZSA-N 2 1 328.456 2.673 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222265805 1311107536 /nfs/dbraw/zinc/10/75/36/1311107536.db2.gz ZLVGCSZONBIYNM-FQEVSTJZSA-N 2 1 328.456 2.673 20 30 EFEDMP C[C@@H](C#N)OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000801936505 1311126034 /nfs/dbraw/zinc/12/60/34/1311126034.db2.gz UWUFVPUOBFZJNN-SFHVURJKSA-N 2 1 327.472 2.903 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276858094 1311211561 /nfs/dbraw/zinc/21/15/61/1311211561.db2.gz ARPNZOIFUPVIEE-UHFFFAOYSA-N 2 1 340.515 2.716 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001276858094 1311211564 /nfs/dbraw/zinc/21/15/64/1311211564.db2.gz ARPNZOIFUPVIEE-UHFFFAOYSA-N 2 1 340.515 2.716 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287699 1311231868 /nfs/dbraw/zinc/23/18/68/1311231868.db2.gz ZVRNGKGUDKWDOX-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287699 1311231870 /nfs/dbraw/zinc/23/18/70/1311231870.db2.gz ZVRNGKGUDKWDOX-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287699 1311231873 /nfs/dbraw/zinc/23/18/73/1311231873.db2.gz ZVRNGKGUDKWDOX-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435449 1311241750 /nfs/dbraw/zinc/24/17/50/1311241750.db2.gz PLXAUAVGZNPSBP-NSHGMRRFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551661 1311249349 /nfs/dbraw/zinc/24/93/49/1311249349.db2.gz VKRRYCOHNTUXQF-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCC=C)CC1 ZINC001223495651 1311268619 /nfs/dbraw/zinc/26/86/19/1311268619.db2.gz VGKNSMHJYBGJCJ-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCC=C)CC1 ZINC001223495651 1311268622 /nfs/dbraw/zinc/26/86/22/1311268622.db2.gz VGKNSMHJYBGJCJ-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691171 1311292856 /nfs/dbraw/zinc/29/28/56/1311292856.db2.gz VSJNXNWSVQLQQP-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691171 1311292860 /nfs/dbraw/zinc/29/28/60/1311292860.db2.gz VSJNXNWSVQLQQP-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189945 1311293546 /nfs/dbraw/zinc/29/35/46/1311293546.db2.gz JTCAEBNQBZLDRU-QRQLOZEOSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223722782 1311296859 /nfs/dbraw/zinc/29/68/59/1311296859.db2.gz WWZZFKZUXNTSME-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290003 1311301144 /nfs/dbraw/zinc/30/11/44/1311301144.db2.gz WYBVPIHKUOELSJ-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001223798678 1311304947 /nfs/dbraw/zinc/30/49/47/1311304947.db2.gz ADWVXUBYOFCBSX-QUCCMNQESA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987887 1311338930 /nfs/dbraw/zinc/33/89/30/1311338930.db2.gz VFWRDSIJANEVRN-QRVBRYPASA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987887 1311338933 /nfs/dbraw/zinc/33/89/33/1311338933.db2.gz VFWRDSIJANEVRN-QRVBRYPASA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987887 1311338935 /nfs/dbraw/zinc/33/89/35/1311338935.db2.gz VFWRDSIJANEVRN-QRVBRYPASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987968 1311339294 /nfs/dbraw/zinc/33/92/94/1311339294.db2.gz YNQROJMIQVQCPM-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987886 1311339512 /nfs/dbraw/zinc/33/95/12/1311339512.db2.gz VFWRDSIJANEVRN-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987886 1311339516 /nfs/dbraw/zinc/33/95/16/1311339516.db2.gz VFWRDSIJANEVRN-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987886 1311339519 /nfs/dbraw/zinc/33/95/19/1311339519.db2.gz VFWRDSIJANEVRN-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224140524 1311348914 /nfs/dbraw/zinc/34/89/14/1311348914.db2.gz NZQBXWAOYPCCPH-MOPGFXCFSA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170502 1311354663 /nfs/dbraw/zinc/35/46/63/1311354663.db2.gz ZBMMJEDXZZOALE-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373047 /nfs/dbraw/zinc/37/30/47/1311373047.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373049 /nfs/dbraw/zinc/37/30/49/1311373049.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373052 /nfs/dbraw/zinc/37/30/52/1311373052.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373056 /nfs/dbraw/zinc/37/30/56/1311373056.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373060 /nfs/dbraw/zinc/37/30/60/1311373060.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158773465 1311385704 /nfs/dbraw/zinc/38/57/04/1311385704.db2.gz MVKZWQFZLKWDOA-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158773465 1311385699 /nfs/dbraw/zinc/38/56/99/1311385699.db2.gz MVKZWQFZLKWDOA-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158773465 1311385700 /nfs/dbraw/zinc/38/57/00/1311385700.db2.gz MVKZWQFZLKWDOA-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158773465 1311385702 /nfs/dbraw/zinc/38/57/02/1311385702.db2.gz MVKZWQFZLKWDOA-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546930 1311405366 /nfs/dbraw/zinc/40/53/66/1311405366.db2.gz SVSJNUXVAGRIJP-IEBWSBKVSA-N 2 1 337.552 2.983 20 30 EFEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872495 1311406783 /nfs/dbraw/zinc/40/67/83/1311406783.db2.gz MKWYYJQTWSZDQC-LJQANCHMSA-N 2 1 333.520 2.589 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224558969 1311407390 /nfs/dbraw/zinc/40/73/90/1311407390.db2.gz KZMZOEJEIDKHAC-GOSISDBHSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224569863 1311408501 /nfs/dbraw/zinc/40/85/01/1311408501.db2.gz QKZMYWWVDMTLRF-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(=C)C)CC1 ZINC001158913757 1311415181 /nfs/dbraw/zinc/41/51/81/1311415181.db2.gz BCHXRZQKKAUCTR-HXUWFJFHSA-N 2 1 345.531 2.611 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCCC)CC1 ZINC001158914365 1311415800 /nfs/dbraw/zinc/41/58/00/1311415800.db2.gz OHTMXMLCQFWUJJ-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158913961 1311415933 /nfs/dbraw/zinc/41/59/33/1311415933.db2.gz HVLKQZLWMHQOLP-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158913961 1311415934 /nfs/dbraw/zinc/41/59/34/1311415934.db2.gz HVLKQZLWMHQOLP-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225442293 1311524798 /nfs/dbraw/zinc/52/47/98/1311524798.db2.gz KEJQSDMXEBAZFL-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653058 1311560321 /nfs/dbraw/zinc/56/03/21/1311560321.db2.gz PZZJYMOXCNYHCN-UHFFFAOYSA-N 2 1 341.927 2.833 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131320 1311650790 /nfs/dbraw/zinc/65/07/90/1311650790.db2.gz LKRGGRWZUFFKKY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131320 1311650792 /nfs/dbraw/zinc/65/07/92/1311650792.db2.gz LKRGGRWZUFFKKY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131320 1311650795 /nfs/dbraw/zinc/65/07/95/1311650795.db2.gz LKRGGRWZUFFKKY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131470 1311650897 /nfs/dbraw/zinc/65/08/97/1311650897.db2.gz MZQNWQTVGNLFCY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131470 1311650900 /nfs/dbraw/zinc/65/09/00/1311650900.db2.gz MZQNWQTVGNLFCY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131470 1311650903 /nfs/dbraw/zinc/65/09/03/1311650903.db2.gz MZQNWQTVGNLFCY-OALUTQOASA-N 2 1 331.504 2.575 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001160198320 1311663036 /nfs/dbraw/zinc/66/30/36/1311663036.db2.gz ZYLXCGOHBXPWJL-FQEVSTJZSA-N 2 1 341.499 2.504 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001160198320 1311663037 /nfs/dbraw/zinc/66/30/37/1311663037.db2.gz ZYLXCGOHBXPWJL-FQEVSTJZSA-N 2 1 341.499 2.504 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001160197773 1311663293 /nfs/dbraw/zinc/66/32/93/1311663293.db2.gz FYUZTJGUMURZPO-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001160197773 1311663296 /nfs/dbraw/zinc/66/32/96/1311663296.db2.gz FYUZTJGUMURZPO-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352268 1311695138 /nfs/dbraw/zinc/69/51/38/1311695138.db2.gz FTAQBXLALZHDLB-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352268 1311695140 /nfs/dbraw/zinc/69/51/40/1311695140.db2.gz FTAQBXLALZHDLB-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352268 1311695142 /nfs/dbraw/zinc/69/51/42/1311695142.db2.gz FTAQBXLALZHDLB-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352735 1311696434 /nfs/dbraw/zinc/69/64/34/1311696434.db2.gz KLUOILXPMSIDNS-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352735 1311696436 /nfs/dbraw/zinc/69/64/36/1311696436.db2.gz KLUOILXPMSIDNS-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352735 1311696439 /nfs/dbraw/zinc/69/64/39/1311696439.db2.gz KLUOILXPMSIDNS-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360410 1311697149 /nfs/dbraw/zinc/69/71/49/1311697149.db2.gz QOAMKKXCVQBGRR-QGZVFWFLSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360409 1311697326 /nfs/dbraw/zinc/69/73/26/1311697326.db2.gz QOAMKKXCVQBGRR-KRWDZBQOSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467250 1311717011 /nfs/dbraw/zinc/71/70/11/1311717011.db2.gz PUBVTIPQGVFYIO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160467250 1311717013 /nfs/dbraw/zinc/71/70/13/1311717013.db2.gz PUBVTIPQGVFYIO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160467250 1311717014 /nfs/dbraw/zinc/71/70/14/1311717014.db2.gz PUBVTIPQGVFYIO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCC=C ZINC001226859718 1311733749 /nfs/dbraw/zinc/73/37/49/1311733749.db2.gz ARRPMFLMVTXEAL-AQNXPRMDSA-N 2 1 345.531 2.847 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCC=C ZINC001226859718 1311733753 /nfs/dbraw/zinc/73/37/53/1311733753.db2.gz ARRPMFLMVTXEAL-AQNXPRMDSA-N 2 1 345.531 2.847 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\CCC ZINC001226860720 1311733929 /nfs/dbraw/zinc/73/39/29/1311733929.db2.gz QFBHWBYSTXYTTI-VJQBDMSCSA-N 2 1 345.531 2.847 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\CCC ZINC001226860720 1311733931 /nfs/dbraw/zinc/73/39/31/1311733931.db2.gz QFBHWBYSTXYTTI-VJQBDMSCSA-N 2 1 345.531 2.847 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559374 1311736619 /nfs/dbraw/zinc/73/66/19/1311736619.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559374 1311736622 /nfs/dbraw/zinc/73/66/22/1311736622.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559374 1311736624 /nfs/dbraw/zinc/73/66/24/1311736624.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699951 1311763015 /nfs/dbraw/zinc/76/30/15/1311763015.db2.gz ODMSPXLECXRMOR-UHFFFAOYSA-N 2 1 344.846 2.839 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699951 1311763016 /nfs/dbraw/zinc/76/30/16/1311763016.db2.gz ODMSPXLECXRMOR-UHFFFAOYSA-N 2 1 344.846 2.839 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787417 1311781420 /nfs/dbraw/zinc/78/14/20/1311781420.db2.gz MSOFVGBRBZZCOX-UHFFFAOYSA-N 2 1 345.531 2.660 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788142 1311781652 /nfs/dbraw/zinc/78/16/52/1311781652.db2.gz YYFOMXXDHSEOBH-IBGZPJMESA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007952 1311834679 /nfs/dbraw/zinc/83/46/79/1311834679.db2.gz IBQSKMFWRRIWKO-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007952 1311834682 /nfs/dbraw/zinc/83/46/82/1311834682.db2.gz IBQSKMFWRRIWKO-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007952 1311834686 /nfs/dbraw/zinc/83/46/86/1311834686.db2.gz IBQSKMFWRRIWKO-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277232212 1311840541 /nfs/dbraw/zinc/84/05/41/1311840541.db2.gz WXKSMEUTKLFMAR-YLJYHZDGSA-N 2 1 335.536 2.879 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048531591 1311869484 /nfs/dbraw/zinc/86/94/84/1311869484.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531591 1311869486 /nfs/dbraw/zinc/86/94/86/1311869486.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531591 1311869489 /nfs/dbraw/zinc/86/94/89/1311869489.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538855 1311879906 /nfs/dbraw/zinc/87/99/06/1311879906.db2.gz DJDODZQATORNRZ-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538855 1311879909 /nfs/dbraw/zinc/87/99/09/1311879909.db2.gz DJDODZQATORNRZ-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538855 1311879912 /nfs/dbraw/zinc/87/99/12/1311879912.db2.gz DJDODZQATORNRZ-RDGPPVDQSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545634 1311888972 /nfs/dbraw/zinc/88/89/72/1311888972.db2.gz GRAPEMGMRITEFG-VBUUOAMHSA-N 2 1 338.455 2.883 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574567 1311923420 /nfs/dbraw/zinc/92/34/20/1311923420.db2.gz JUESFBNYPUWWAN-FNLKRUPLSA-N 2 1 341.499 2.907 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679294 1311949231 /nfs/dbraw/zinc/94/92/31/1311949231.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679294 1311949233 /nfs/dbraw/zinc/94/92/33/1311949233.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679294 1311949234 /nfs/dbraw/zinc/94/92/34/1311949234.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925000 1312004515 /nfs/dbraw/zinc/00/45/15/1312004515.db2.gz SJZUPXLGEAVBGU-QZTJIDSGSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161946985 1312010589 /nfs/dbraw/zinc/01/05/89/1312010589.db2.gz PFTPGJDNCSIJHR-UHFFFAOYSA-N 2 1 339.911 2.753 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161946985 1312010591 /nfs/dbraw/zinc/01/05/91/1312010591.db2.gz PFTPGJDNCSIJHR-UHFFFAOYSA-N 2 1 339.911 2.753 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947069 1312010727 /nfs/dbraw/zinc/01/07/27/1312010727.db2.gz VURIPOKYAUZGOZ-IBGZPJMESA-N 2 1 327.472 2.614 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947069 1312010728 /nfs/dbraw/zinc/01/07/28/1312010728.db2.gz VURIPOKYAUZGOZ-IBGZPJMESA-N 2 1 327.472 2.614 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161946899 1312011224 /nfs/dbraw/zinc/01/12/24/1312011224.db2.gz LAOGOOAZKTVMDD-UHFFFAOYSA-N 2 1 327.472 2.686 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952367 1312012562 /nfs/dbraw/zinc/01/25/62/1312012562.db2.gz HFTBFQYWOMZYDW-HXUWFJFHSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953624 1312012845 /nfs/dbraw/zinc/01/28/45/1312012845.db2.gz YNODSKSOHWEMMJ-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP N#Cc1c[nH]c2cc[nH+]c(NCC3(c4cccnc4)CC[NH2+]CC3)c12 ZINC001162036767 1312036559 /nfs/dbraw/zinc/03/65/59/1312036559.db2.gz MMDRPWWSLGMJME-UHFFFAOYSA-N 2 1 332.411 2.563 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC001162101670 1312048275 /nfs/dbraw/zinc/04/82/75/1312048275.db2.gz DIGPNTDPWUPBKI-FXAWDEMLSA-N 2 1 328.504 2.715 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468181 1312101059 /nfs/dbraw/zinc/10/10/59/1312101059.db2.gz ALPAXGDPLKCZCJ-UHFFFAOYSA-N 2 1 332.492 2.943 20 30 EFEDMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000902792818 1312111894 /nfs/dbraw/zinc/11/18/94/1312111894.db2.gz DMKWAZGRCRMGMI-HXUWFJFHSA-N 2 1 328.504 2.873 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001162807066 1312179964 /nfs/dbraw/zinc/17/99/64/1312179964.db2.gz UNHRRUHHSJREME-HXUWFJFHSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162848466 1312189414 /nfs/dbraw/zinc/18/94/14/1312189414.db2.gz JJUUICKCUUNRDO-UHFFFAOYSA-N 2 1 331.504 2.564 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862125 1312204268 /nfs/dbraw/zinc/20/42/68/1312204268.db2.gz QJKODVUFMNDOPD-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862125 1312204269 /nfs/dbraw/zinc/20/42/69/1312204269.db2.gz QJKODVUFMNDOPD-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862125 1312204273 /nfs/dbraw/zinc/20/42/73/1312204273.db2.gz QJKODVUFMNDOPD-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048911518 1312250479 /nfs/dbraw/zinc/25/04/79/1312250479.db2.gz JYUZFFSCJYKWQL-CALCHBBNSA-N 2 1 338.455 2.613 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571238 1312268079 /nfs/dbraw/zinc/26/80/79/1312268079.db2.gz BXSJYUANUWJGEL-ROUUACIJSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571236 1312268456 /nfs/dbraw/zinc/26/84/56/1312268456.db2.gz BXSJYUANUWJGEL-QZTJIDSGSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591715 1312275934 /nfs/dbraw/zinc/27/59/34/1312275934.db2.gz HKUJCBKFZOVIBE-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598691 1312278971 /nfs/dbraw/zinc/27/89/71/1312278971.db2.gz WXJVVZYICTYFNV-WOJBJXKFSA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230617498 1312284866 /nfs/dbraw/zinc/28/48/66/1312284866.db2.gz BHQJHVIBSXFXFB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617498 1312284869 /nfs/dbraw/zinc/28/48/69/1312284869.db2.gz BHQJHVIBSXFXFB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617498 1312284872 /nfs/dbraw/zinc/28/48/72/1312284872.db2.gz BHQJHVIBSXFXFB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230619540 1312287115 /nfs/dbraw/zinc/28/71/15/1312287115.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230619540 1312287117 /nfs/dbraw/zinc/28/71/17/1312287117.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230619540 1312287120 /nfs/dbraw/zinc/28/71/20/1312287120.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628014 1312289818 /nfs/dbraw/zinc/28/98/18/1312289818.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628014 1312289822 /nfs/dbraw/zinc/28/98/22/1312289822.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628014 1312289826 /nfs/dbraw/zinc/28/98/26/1312289826.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP CC(C)[N@H+]1CC[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](C)C1 ZINC001163358832 1312295390 /nfs/dbraw/zinc/29/53/90/1312295390.db2.gz YKCLWJBAWLXMEK-KBXCAEBGSA-N 2 1 327.476 2.520 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](C)C1 ZINC001163358833 1312295847 /nfs/dbraw/zinc/29/58/47/1312295847.db2.gz YKCLWJBAWLXMEK-KDOFPFPSSA-N 2 1 327.476 2.520 20 30 EFEDMP C=CCC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230789211 1312343713 /nfs/dbraw/zinc/34/37/13/1312343713.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230789211 1312343717 /nfs/dbraw/zinc/34/37/17/1312343717.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230789211 1312343721 /nfs/dbraw/zinc/34/37/21/1312343721.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CC[N@@H+](CCCNC(=O)c1ccn2c[nH+]cc2c1)Cc1cccnc1 ZINC001230796756 1312346925 /nfs/dbraw/zinc/34/69/25/1312346925.db2.gz MRUMBBRTRRIMCP-UHFFFAOYSA-N 2 1 349.438 2.537 20 30 EFEDMP C=CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)Cc1cccnc1 ZINC001230800448 1312348800 /nfs/dbraw/zinc/34/88/00/1312348800.db2.gz IXCGMQDKPHSESE-UHFFFAOYSA-N 2 1 349.438 2.537 20 30 EFEDMP C=CCC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230841495 1312366661 /nfs/dbraw/zinc/36/66/61/1312366661.db2.gz SNAFBOQJKKGQOK-LJQANCHMSA-N 2 1 346.519 2.552 20 30 EFEDMP C=CCC[N@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905343 1312386364 /nfs/dbraw/zinc/38/63/64/1312386364.db2.gz GFXISMNBCTVDJQ-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP Cc1[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)ccc1CC#N ZINC001163883098 1312401439 /nfs/dbraw/zinc/40/14/39/1312401439.db2.gz OVEWIDJBXCIQOE-UHFFFAOYSA-N 2 1 342.487 2.785 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096340 1312451774 /nfs/dbraw/zinc/45/17/74/1312451774.db2.gz PQCKOLKPQYDZJE-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096340 1312451776 /nfs/dbraw/zinc/45/17/76/1312451776.db2.gz PQCKOLKPQYDZJE-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165541 1312532291 /nfs/dbraw/zinc/53/22/91/1312532291.db2.gz SPXRAVVZFMZTRY-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165541 1312532294 /nfs/dbraw/zinc/53/22/94/1312532294.db2.gz SPXRAVVZFMZTRY-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165541 1312532297 /nfs/dbraw/zinc/53/22/97/1312532297.db2.gz SPXRAVVZFMZTRY-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001231656222 1312542360 /nfs/dbraw/zinc/54/23/60/1312542360.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001231656222 1312542363 /nfs/dbraw/zinc/54/23/63/1312542363.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656222 1312542366 /nfs/dbraw/zinc/54/23/66/1312542366.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656222 1312542368 /nfs/dbraw/zinc/54/23/68/1312542368.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)n2)CC1 ZINC001165110056 1312569565 /nfs/dbraw/zinc/56/95/65/1312569565.db2.gz BCFCYOWBOMHNTN-SFHVURJKSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001165110056 1312569569 /nfs/dbraw/zinc/56/95/69/1312569569.db2.gz BCFCYOWBOMHNTN-SFHVURJKSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001165110056 1312569573 /nfs/dbraw/zinc/56/95/73/1312569573.db2.gz BCFCYOWBOMHNTN-SFHVURJKSA-N 2 1 328.460 2.536 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278990 1312601274 /nfs/dbraw/zinc/60/12/74/1312601274.db2.gz ZJVBAJWLDAZYPD-KRWDZBQOSA-N 2 1 334.508 2.820 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456037 1312633208 /nfs/dbraw/zinc/63/32/08/1312633208.db2.gz OVECJIHUVIOCMN-MRXNPFEDSA-N 2 1 341.927 2.593 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485533 1312636718 /nfs/dbraw/zinc/63/67/18/1312636718.db2.gz YNHHSBJHGIWCCL-INIZCTEOSA-N 2 1 330.476 2.603 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C\CCC)CC1 ZINC001165545522 1312645736 /nfs/dbraw/zinc/64/57/36/1312645736.db2.gz LCHWKOOVCCHHSF-RURPWVQCSA-N 2 1 345.531 2.707 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C\CCC)CC1 ZINC001165545522 1312645740 /nfs/dbraw/zinc/64/57/40/1312645740.db2.gz LCHWKOOVCCHHSF-RURPWVQCSA-N 2 1 345.531 2.707 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052870991 1314435618 /nfs/dbraw/zinc/43/56/18/1314435618.db2.gz AOTCKGDIQPLJNJ-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052870991 1314435620 /nfs/dbraw/zinc/43/56/20/1314435620.db2.gz AOTCKGDIQPLJNJ-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211375095 1314488438 /nfs/dbraw/zinc/48/84/38/1314488438.db2.gz ZHWSTFOAYFJLTC-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211375095 1314488440 /nfs/dbraw/zinc/48/84/40/1314488440.db2.gz ZHWSTFOAYFJLTC-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952011 1314511973 /nfs/dbraw/zinc/51/19/73/1314511973.db2.gz AEGLJKSSCUPWPU-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1COCCC12C[NH2+]C2 ZINC001245987552 1314559944 /nfs/dbraw/zinc/55/99/44/1314559944.db2.gz ZVMJZJQWRITAKV-ROUUACIJSA-N 2 1 326.525 2.846 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CCCCCCCC ZINC001246000584 1314563086 /nfs/dbraw/zinc/56/30/86/1314563086.db2.gz LHLSDHOHGTVHFV-ROUUACIJSA-N 2 1 342.524 2.914 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CCCCCCCC ZINC001246000582 1314563147 /nfs/dbraw/zinc/56/31/47/1314563147.db2.gz LHLSDHOHGTVHFV-MSOLQXFVSA-N 2 1 342.524 2.914 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246024627 1314568304 /nfs/dbraw/zinc/56/83/04/1314568304.db2.gz PGXFKGCVTUYIFY-SFHVURJKSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030797 1314569700 /nfs/dbraw/zinc/56/97/00/1314569700.db2.gz YXKYVASPYCESTH-RBUKOAKNSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030797 1314569703 /nfs/dbraw/zinc/56/97/03/1314569703.db2.gz YXKYVASPYCESTH-RBUKOAKNSA-N 2 1 325.541 2.515 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246046947 1314573118 /nfs/dbraw/zinc/57/31/18/1314573118.db2.gz UPDAQTPXIQHQEH-RBUKOAKNSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246046947 1314573124 /nfs/dbraw/zinc/57/31/24/1314573124.db2.gz UPDAQTPXIQHQEH-RBUKOAKNSA-N 2 1 326.525 2.964 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C)nn4C)C3)CC2)cc1 ZINC001278436303 1314598404 /nfs/dbraw/zinc/59/84/04/1314598404.db2.gz DFGVJFMQEQKQAK-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030022 1314604143 /nfs/dbraw/zinc/60/41/43/1314604143.db2.gz ZYAZJLJZUVRVFC-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032284 1314608694 /nfs/dbraw/zinc/60/86/94/1314608694.db2.gz NSMAYFWNFQLLLC-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032284 1314608697 /nfs/dbraw/zinc/60/86/97/1314608697.db2.gz NSMAYFWNFQLLLC-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246303887 1314608755 /nfs/dbraw/zinc/60/87/55/1314608755.db2.gz JLGOOUKZNDPPSO-INIZCTEOSA-N 2 1 329.444 2.586 20 30 EFEDMP CC1(C)C[NH2+]C[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)O1 ZINC001246411400 1314626430 /nfs/dbraw/zinc/62/64/30/1314626430.db2.gz CWTZCNSACQSTCS-CTWPCTMYSA-N 2 1 327.472 2.941 20 30 EFEDMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444876 1314629759 /nfs/dbraw/zinc/62/97/59/1314629759.db2.gz ZIOJRCLQVXXERG-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156484 1314640107 /nfs/dbraw/zinc/64/01/07/1314640107.db2.gz NKIAWNMOFNLLHD-JYJNAYRXSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052311 1314640671 /nfs/dbraw/zinc/64/06/71/1314640671.db2.gz UMAINXFRWWVDJL-RBUKOAKNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC001246526814 1314641967 /nfs/dbraw/zinc/64/19/67/1314641967.db2.gz RMKCGXKKKNFMJP-IAGOWNOFSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC001246526814 1314641970 /nfs/dbraw/zinc/64/19/70/1314641970.db2.gz RMKCGXKKKNFMJP-IAGOWNOFSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246528716 1314642109 /nfs/dbraw/zinc/64/21/09/1314642109.db2.gz ZYHPRWOOIBMGFP-IAGOWNOFSA-N 2 1 335.492 2.628 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053125 1314642417 /nfs/dbraw/zinc/64/24/17/1314642417.db2.gz YWVJQBJDZMXYSO-OALUTQOASA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246527721 1314642488 /nfs/dbraw/zinc/64/24/88/1314642488.db2.gz VXLWWKOBEUZUPW-JWTNVVGKSA-N 2 1 347.503 2.770 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054020 1314643289 /nfs/dbraw/zinc/64/32/89/1314643289.db2.gz GJVRUZCKHUWCSD-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054020 1314643292 /nfs/dbraw/zinc/64/32/92/1314643292.db2.gz GJVRUZCKHUWCSD-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055167 1314645780 /nfs/dbraw/zinc/64/57/80/1314645780.db2.gz WEQGJKASOTWZQM-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055167 1314645786 /nfs/dbraw/zinc/64/57/86/1314645786.db2.gz WEQGJKASOTWZQM-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551995 1314646875 /nfs/dbraw/zinc/64/68/75/1314646875.db2.gz UBUVYUZRMXIQDN-NLWGTHIKSA-N 2 1 349.519 2.874 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCCC[C@@](O)(C[NH3+])C3)CC2)cc1 ZINC001246561675 1314649193 /nfs/dbraw/zinc/64/91/93/1314649193.db2.gz SATRLLMSSSOKHG-SOAGJPPSSA-N 2 1 327.472 2.760 20 30 EFEDMP CCCCCCCC[C@H](CC)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246631401 1314661420 /nfs/dbraw/zinc/66/14/20/1314661420.db2.gz XDXVFQTVUGMRFO-PXNSSMCTSA-N 2 1 335.536 2.927 20 30 EFEDMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246791401 1314682995 /nfs/dbraw/zinc/68/29/95/1314682995.db2.gz OQADYPXCDVIRIK-MOPGFXCFSA-N 2 1 326.488 2.847 20 30 EFEDMP CCCCCCCCCC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246821951 1314689761 /nfs/dbraw/zinc/68/97/61/1314689761.db2.gz PUYQVAVINJHOBO-HXUWFJFHSA-N 2 1 340.600 2.990 20 30 EFEDMP CCCCCCCC[C@H](CC)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819077 1314689775 /nfs/dbraw/zinc/68/97/75/1314689775.db2.gz GHLKVWXFSOBFEN-IBGZPJMESA-N 2 1 326.573 2.600 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH2+]CC[C@@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246854382 1314697501 /nfs/dbraw/zinc/69/75/01/1314697501.db2.gz DOOSWBYMTNMZHC-UWXKBJKWSA-N 2 1 332.488 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093010 1314702962 /nfs/dbraw/zinc/70/29/62/1314702962.db2.gz UPHMYAYHGAMACL-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093010 1314702966 /nfs/dbraw/zinc/70/29/66/1314702966.db2.gz UPHMYAYHGAMACL-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889535 1314704287 /nfs/dbraw/zinc/70/42/87/1314704287.db2.gz FEWJIINUKGRUFQ-RBUKOAKNSA-N 2 1 326.488 2.847 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096055 1314707949 /nfs/dbraw/zinc/70/79/49/1314707949.db2.gz OMIOXOUVHHOKTI-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP N#C[C@@H]1C[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945681 1314712102 /nfs/dbraw/zinc/71/21/02/1314712102.db2.gz HXNCUGJCHVDIBX-FUHWJXTLSA-N 2 1 332.879 2.538 20 30 EFEDMP N#C[C@@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945681 1314712104 /nfs/dbraw/zinc/71/21/04/1314712104.db2.gz HXNCUGJCHVDIBX-FUHWJXTLSA-N 2 1 332.879 2.538 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053098956 1314713683 /nfs/dbraw/zinc/71/36/83/1314713683.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098956 1314713687 /nfs/dbraw/zinc/71/36/87/1314713687.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098956 1314713690 /nfs/dbraw/zinc/71/36/90/1314713690.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100698 1314717608 /nfs/dbraw/zinc/71/76/08/1314717608.db2.gz ITKLOGFBWYUDSU-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666052 1314722779 /nfs/dbraw/zinc/72/27/79/1314722779.db2.gz SBKKFZHXPBTJFQ-FCGDIQPGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103887 1314723469 /nfs/dbraw/zinc/72/34/69/1314723469.db2.gz ARTXYWTZUALHMB-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103882 1314723686 /nfs/dbraw/zinc/72/36/86/1314723686.db2.gz ARTXYWTZUALHMB-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP N#Cc1ccccc1OC1C[NH+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246989602 1314725518 /nfs/dbraw/zinc/72/55/18/1314725518.db2.gz MUXLUZPXYVRQGB-UHFFFAOYSA-N 2 1 325.456 2.934 20 30 EFEDMP N#Cc1cc(Cl)c(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)cc1Cl ZINC001247507688 1314795136 /nfs/dbraw/zinc/79/51/36/1314795136.db2.gz MOVNZMHBPVKNKQ-NSHDSACASA-N 2 1 326.187 2.654 20 30 EFEDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3C#N)n2)cc1 ZINC001248221426 1314908325 /nfs/dbraw/zinc/90/83/25/1314908325.db2.gz KAKOOFHBZCQWOD-SFHVURJKSA-N 2 1 347.422 2.912 20 30 EFEDMP CCc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001248742483 1314957032 /nfs/dbraw/zinc/95/70/32/1314957032.db2.gz CGYORIDLOXFQQG-UHFFFAOYSA-N 2 1 328.504 2.580 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054133197 1315343324 /nfs/dbraw/zinc/34/33/24/1315343324.db2.gz XZIYOPOTGWGDEM-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133954 1315344972 /nfs/dbraw/zinc/34/49/72/1315344972.db2.gz QOWIYUOHUDOMCT-PZJWPPBQSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145235 1315363594 /nfs/dbraw/zinc/36/35/94/1315363594.db2.gz NKBUBHZQCDDBMR-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148849 1315369966 /nfs/dbraw/zinc/36/99/66/1315369966.db2.gz XKGCPVLXHJYNEZ-FUHWJXTLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054158692 1315385942 /nfs/dbraw/zinc/38/59/42/1315385942.db2.gz ACSWNYPNHUCRLY-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429553 1315412066 /nfs/dbraw/zinc/41/20/66/1315412066.db2.gz UQIXDDMCRKTXRR-ZGXWSNOMSA-N 2 1 341.499 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197471 1315441265 /nfs/dbraw/zinc/44/12/65/1315441265.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197471 1315441267 /nfs/dbraw/zinc/44/12/67/1315441267.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197471 1315441269 /nfs/dbraw/zinc/44/12/69/1315441269.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197345 1315441714 /nfs/dbraw/zinc/44/17/14/1315441714.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197345 1315441717 /nfs/dbraw/zinc/44/17/17/1315441717.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197345 1315441721 /nfs/dbraw/zinc/44/17/21/1315441721.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197795 1315442200 /nfs/dbraw/zinc/44/22/00/1315442200.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197795 1315442202 /nfs/dbraw/zinc/44/22/02/1315442202.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197795 1315442203 /nfs/dbraw/zinc/44/22/03/1315442203.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220868805 1315458124 /nfs/dbraw/zinc/45/81/24/1315458124.db2.gz VBDOFEHKTZPUCC-OTWHNJEPSA-N 2 1 327.472 2.636 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209117 1315458905 /nfs/dbraw/zinc/45/89/05/1315458905.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209117 1315458906 /nfs/dbraw/zinc/45/89/06/1315458906.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209117 1315458909 /nfs/dbraw/zinc/45/89/09/1315458909.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209720 1315461460 /nfs/dbraw/zinc/46/14/60/1315461460.db2.gz WDNIRJAVHTWBTR-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227257 1315486063 /nfs/dbraw/zinc/48/60/63/1315486063.db2.gz FZLDUEVDVFAOTO-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227257 1315486067 /nfs/dbraw/zinc/48/60/67/1315486067.db2.gz FZLDUEVDVFAOTO-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227257 1315486070 /nfs/dbraw/zinc/48/60/70/1315486070.db2.gz FZLDUEVDVFAOTO-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132250 1315514278 /nfs/dbraw/zinc/51/42/78/1315514278.db2.gz GJUPRYSPSSBHIL-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132250 1315514282 /nfs/dbraw/zinc/51/42/82/1315514282.db2.gz GJUPRYSPSSBHIL-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132250 1315514287 /nfs/dbraw/zinc/51/42/87/1315514287.db2.gz GJUPRYSPSSBHIL-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244406 1315514668 /nfs/dbraw/zinc/51/46/68/1315514668.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244406 1315514674 /nfs/dbraw/zinc/51/46/74/1315514674.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244406 1315514679 /nfs/dbraw/zinc/51/46/79/1315514679.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244401 1315515350 /nfs/dbraw/zinc/51/53/50/1315515350.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244401 1315515357 /nfs/dbraw/zinc/51/53/57/1315515357.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244401 1315515362 /nfs/dbraw/zinc/51/53/62/1315515362.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244403 1315515411 /nfs/dbraw/zinc/51/54/11/1315515411.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244403 1315515416 /nfs/dbraw/zinc/51/54/16/1315515416.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244403 1315515418 /nfs/dbraw/zinc/51/54/18/1315515418.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039132929 1315515696 /nfs/dbraw/zinc/51/56/96/1315515696.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039132929 1315515700 /nfs/dbraw/zinc/51/57/00/1315515700.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039132929 1315515704 /nfs/dbraw/zinc/51/57/04/1315515704.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245538 1315516444 /nfs/dbraw/zinc/51/64/44/1315516444.db2.gz VEVFAZJIECTRMT-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039134426 1315518332 /nfs/dbraw/zinc/51/83/32/1315518332.db2.gz ZIGBBJQNEUZXAY-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134426 1315518335 /nfs/dbraw/zinc/51/83/35/1315518335.db2.gz ZIGBBJQNEUZXAY-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134426 1315518339 /nfs/dbraw/zinc/51/83/39/1315518339.db2.gz ZIGBBJQNEUZXAY-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039134427 1315518443 /nfs/dbraw/zinc/51/84/43/1315518443.db2.gz ZIGBBJQNEUZXAY-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134427 1315518447 /nfs/dbraw/zinc/51/84/47/1315518447.db2.gz ZIGBBJQNEUZXAY-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134427 1315518450 /nfs/dbraw/zinc/51/84/50/1315518450.db2.gz ZIGBBJQNEUZXAY-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039136406 1315521886 /nfs/dbraw/zinc/52/18/86/1315521886.db2.gz JOUXJMZUDLUXAG-WOJBJXKFSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136406 1315521889 /nfs/dbraw/zinc/52/18/89/1315521889.db2.gz JOUXJMZUDLUXAG-WOJBJXKFSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136406 1315521893 /nfs/dbraw/zinc/52/18/93/1315521893.db2.gz JOUXJMZUDLUXAG-WOJBJXKFSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560822 1315552218 /nfs/dbraw/zinc/55/22/18/1315552218.db2.gz JNTKBWMNYMBYRL-KZNAEPCWSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560822 1315552221 /nfs/dbraw/zinc/55/22/21/1315552221.db2.gz JNTKBWMNYMBYRL-KZNAEPCWSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221560782 1315552349 /nfs/dbraw/zinc/55/23/49/1315552349.db2.gz HSPSHQXQGUWNOS-IYWMVGAKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221560782 1315552351 /nfs/dbraw/zinc/55/23/51/1315552351.db2.gz HSPSHQXQGUWNOS-IYWMVGAKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221560782 1315552352 /nfs/dbraw/zinc/55/23/52/1315552352.db2.gz HSPSHQXQGUWNOS-IYWMVGAKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156554 1315552711 /nfs/dbraw/zinc/55/27/11/1315552711.db2.gz RKRRTARSXUWREU-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616131 1315563092 /nfs/dbraw/zinc/56/30/92/1315563092.db2.gz FPJISIRHEJSHHN-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167184 1315568597 /nfs/dbraw/zinc/56/85/97/1315568597.db2.gz NTKNFUOACGMEFU-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167184 1315568602 /nfs/dbraw/zinc/56/86/02/1315568602.db2.gz NTKNFUOACGMEFU-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167184 1315568605 /nfs/dbraw/zinc/56/86/05/1315568605.db2.gz NTKNFUOACGMEFU-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167665 1315568757 /nfs/dbraw/zinc/56/87/57/1315568757.db2.gz ZTBLHFXOVRTBEG-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646474 1315569260 /nfs/dbraw/zinc/56/92/60/1315569260.db2.gz CGFOYQAJZRBZAZ-CEXWTWQISA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221646474 1315569262 /nfs/dbraw/zinc/56/92/62/1315569262.db2.gz CGFOYQAJZRBZAZ-CEXWTWQISA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221646474 1315569265 /nfs/dbraw/zinc/56/92/65/1315569265.db2.gz CGFOYQAJZRBZAZ-CEXWTWQISA-N 2 1 335.536 2.974 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173940 1315578555 /nfs/dbraw/zinc/57/85/55/1315578555.db2.gz IWIXQGCYPJDKRM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173940 1315578558 /nfs/dbraw/zinc/57/85/58/1315578558.db2.gz IWIXQGCYPJDKRM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173940 1315578562 /nfs/dbraw/zinc/57/85/62/1315578562.db2.gz IWIXQGCYPJDKRM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173941 1315578920 /nfs/dbraw/zinc/57/89/20/1315578920.db2.gz IWIXQGCYPJDKRM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173941 1315578923 /nfs/dbraw/zinc/57/89/23/1315578923.db2.gz IWIXQGCYPJDKRM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173941 1315578926 /nfs/dbraw/zinc/57/89/26/1315578926.db2.gz IWIXQGCYPJDKRM-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179615 1315586884 /nfs/dbraw/zinc/58/68/84/1315586884.db2.gz BXDQUBFWEITQQX-OALUTQOASA-N 2 1 335.536 2.709 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181997 1315589110 /nfs/dbraw/zinc/58/91/10/1315589110.db2.gz GXBNUNQSFBESGC-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219338 1315639565 /nfs/dbraw/zinc/63/95/65/1315639565.db2.gz SHGLUONULKPCFD-IEBWSBKVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278747242 1315650671 /nfs/dbraw/zinc/65/06/71/1315650671.db2.gz JGJVOKKMUXVAHT-HZPDHXFCSA-N 2 1 345.478 2.612 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231653 1315654215 /nfs/dbraw/zinc/65/42/15/1315654215.db2.gz XJNJPOQYYPKGIL-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231653 1315654219 /nfs/dbraw/zinc/65/42/19/1315654219.db2.gz XJNJPOQYYPKGIL-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236299 1315660653 /nfs/dbraw/zinc/66/06/53/1315660653.db2.gz YPGQSMUWVNHXCK-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236351 1315660831 /nfs/dbraw/zinc/66/08/31/1315660831.db2.gz ZHUKSVDNPOBZNE-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236863 1315661695 /nfs/dbraw/zinc/66/16/95/1315661695.db2.gz FVVJWAXJRJOLBO-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239932 1315666894 /nfs/dbraw/zinc/66/68/94/1315666894.db2.gz SKJFMQDKACPBSS-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP N#C[C@@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038459 1315667516 /nfs/dbraw/zinc/66/75/16/1315667516.db2.gz IKRYVGNAFDXSIS-GOSISDBHSA-N 2 1 327.472 2.639 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243835 1315672515 /nfs/dbraw/zinc/67/25/15/1315672515.db2.gz WMCSSRCCGQXAKK-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247381 1315677690 /nfs/dbraw/zinc/67/76/90/1315677690.db2.gz VYTKISGCQJBVQP-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039278382 1315698777 /nfs/dbraw/zinc/69/87/77/1315698777.db2.gz GAHGIJCEFCSNEA-XVLXNVKGSA-N 2 1 333.520 2.939 20 30 EFEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254501028 1315710497 /nfs/dbraw/zinc/71/04/97/1315710497.db2.gz PABQZWQUCFYVOR-LJQANCHMSA-N 2 1 326.488 2.597 20 30 EFEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001254507648 1315711831 /nfs/dbraw/zinc/71/18/31/1315711831.db2.gz DWHZORDONLBRBH-LJQANCHMSA-N 2 1 326.488 2.597 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)CC1 ZINC001254515915 1315712636 /nfs/dbraw/zinc/71/26/36/1315712636.db2.gz GKRLGIXVWBKMPK-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)CC1 ZINC001254515915 1315712639 /nfs/dbraw/zinc/71/26/39/1315712639.db2.gz GKRLGIXVWBKMPK-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)CC1 ZINC001254515915 1315712643 /nfs/dbraw/zinc/71/26/43/1315712643.db2.gz GKRLGIXVWBKMPK-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[NH+](C)CC1)[C@@H]2CC ZINC001254517705 1315714073 /nfs/dbraw/zinc/71/40/73/1315714073.db2.gz JELBEXQNWXEFFE-NSHGMRRFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1CCC[N@H+](C)CC1)[C@@H]2CC ZINC001254517705 1315714075 /nfs/dbraw/zinc/71/40/75/1315714075.db2.gz JELBEXQNWXEFFE-NSHGMRRFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1CCC[N@@H+](C)CC1)[C@@H]2CC ZINC001254517705 1315714076 /nfs/dbraw/zinc/71/40/76/1315714076.db2.gz JELBEXQNWXEFFE-NSHGMRRFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517253 1315714444 /nfs/dbraw/zinc/71/44/44/1315714444.db2.gz SQCCTHDDOBNMJJ-HKUYNNGSSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517253 1315714445 /nfs/dbraw/zinc/71/44/45/1315714445.db2.gz SQCCTHDDOBNMJJ-HKUYNNGSSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517253 1315714448 /nfs/dbraw/zinc/71/44/48/1315714448.db2.gz SQCCTHDDOBNMJJ-HKUYNNGSSA-N 2 1 335.492 2.581 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001522410 1315735342 /nfs/dbraw/zinc/73/53/42/1315735342.db2.gz MTUYUZMMXMQTEI-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662397 1315736692 /nfs/dbraw/zinc/73/66/92/1315736692.db2.gz GGGCQEJCOKOQAH-WPVAHCMFSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662397 1315736693 /nfs/dbraw/zinc/73/66/93/1315736693.db2.gz GGGCQEJCOKOQAH-WPVAHCMFSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662397 1315736696 /nfs/dbraw/zinc/73/66/96/1315736696.db2.gz GGGCQEJCOKOQAH-WPVAHCMFSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662397 1315736699 /nfs/dbraw/zinc/73/66/99/1315736699.db2.gz GGGCQEJCOKOQAH-WPVAHCMFSA-N 2 1 341.503 2.749 20 30 EFEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC4CCN(CC4)C3)C2)c1 ZINC001254863460 1315751586 /nfs/dbraw/zinc/75/15/86/1315751586.db2.gz FDFGZMTZRCRCRS-UYAOXDASSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(O[C@@H]2CCCN([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863460 1315751589 /nfs/dbraw/zinc/75/15/89/1315751589.db2.gz FDFGZMTZRCRCRS-UYAOXDASSA-N 2 1 325.456 2.886 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392448 1315759710 /nfs/dbraw/zinc/75/97/10/1315759710.db2.gz QPVAUHIVWBIOKE-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397690 1315764031 /nfs/dbraw/zinc/76/40/31/1315764031.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397690 1315764033 /nfs/dbraw/zinc/76/40/33/1315764033.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397690 1315764035 /nfs/dbraw/zinc/76/40/35/1315764035.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039423942 1315782644 /nfs/dbraw/zinc/78/26/44/1315782644.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423942 1315782646 /nfs/dbraw/zinc/78/26/46/1315782646.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423942 1315782649 /nfs/dbraw/zinc/78/26/49/1315782649.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425479 1315784277 /nfs/dbraw/zinc/78/42/77/1315784277.db2.gz GBJJHYCSCNQSAN-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425479 1315784279 /nfs/dbraw/zinc/78/42/79/1315784279.db2.gz GBJJHYCSCNQSAN-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448012 1315797614 /nfs/dbraw/zinc/79/76/14/1315797614.db2.gz QVICJWNXZSFPDL-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766402 1315809730 /nfs/dbraw/zinc/80/97/30/1315809730.db2.gz XPTBEGOMQWKSRO-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255397436 1315816905 /nfs/dbraw/zinc/81/69/05/1315816905.db2.gz OOCHFURERBBVSX-SZMVWBNQSA-N 2 1 333.476 2.551 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255397436 1315816908 /nfs/dbraw/zinc/81/69/08/1315816908.db2.gz OOCHFURERBBVSX-SZMVWBNQSA-N 2 1 333.476 2.551 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474714 1315817234 /nfs/dbraw/zinc/81/72/34/1315817234.db2.gz WHILASVRSRRKSP-MSOLQXFVSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474781 1315817821 /nfs/dbraw/zinc/81/78/21/1315817821.db2.gz ZWJKDHLOUFLWGL-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474944 1315818241 /nfs/dbraw/zinc/81/82/41/1315818241.db2.gz QUMVJWMHLPAVOQ-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474944 1315818245 /nfs/dbraw/zinc/81/82/45/1315818245.db2.gz QUMVJWMHLPAVOQ-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CC[NH+](C)CC3)cc(C#N)c21 ZINC001256200069 1315916192 /nfs/dbraw/zinc/91/61/92/1315916192.db2.gz LKHCUJXVWMPYDE-AWEZNQCLSA-N 2 1 338.455 2.788 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427865 1315945611 /nfs/dbraw/zinc/94/56/11/1315945611.db2.gz BWXHJSXQJMPGIV-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427865 1315945615 /nfs/dbraw/zinc/94/56/15/1315945615.db2.gz BWXHJSXQJMPGIV-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427865 1315945617 /nfs/dbraw/zinc/94/56/17/1315945617.db2.gz BWXHJSXQJMPGIV-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427864 1315945983 /nfs/dbraw/zinc/94/59/83/1315945983.db2.gz BWXHJSXQJMPGIV-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427864 1315945986 /nfs/dbraw/zinc/94/59/86/1315945986.db2.gz BWXHJSXQJMPGIV-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427864 1315945989 /nfs/dbraw/zinc/94/59/89/1315945989.db2.gz BWXHJSXQJMPGIV-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537892 1315953986 /nfs/dbraw/zinc/95/39/86/1315953986.db2.gz QQQFYQHJEXZBML-HKUYNNGSSA-N 2 1 326.488 2.617 20 30 EFEDMP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537895 1315954672 /nfs/dbraw/zinc/95/46/72/1315954672.db2.gz QQQFYQHJEXZBML-IEBWSBKVSA-N 2 1 326.488 2.617 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256621736 1315970219 /nfs/dbraw/zinc/97/02/19/1315970219.db2.gz BDMZKVOBGSISLG-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001256621736 1315970221 /nfs/dbraw/zinc/97/02/21/1315970221.db2.gz BDMZKVOBGSISLG-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001256621736 1315970223 /nfs/dbraw/zinc/97/02/23/1315970223.db2.gz BDMZKVOBGSISLG-WMWLNJEOSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001256626080 1315971340 /nfs/dbraw/zinc/97/13/40/1315971340.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001256626080 1315971342 /nfs/dbraw/zinc/97/13/42/1315971342.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001256626080 1315971345 /nfs/dbraw/zinc/97/13/45/1315971345.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001256626080 1315971347 /nfs/dbraw/zinc/97/13/47/1315971347.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 2 1 334.504 2.685 20 30 EFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256967112 1316015870 /nfs/dbraw/zinc/01/58/70/1316015870.db2.gz VDTFSWLWUFGEDC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256967112 1316015872 /nfs/dbraw/zinc/01/58/72/1316015872.db2.gz VDTFSWLWUFGEDC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256967112 1316015873 /nfs/dbraw/zinc/01/58/73/1316015873.db2.gz VDTFSWLWUFGEDC-RDVQEIBISA-N 2 1 331.504 2.749 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215308 1316047898 /nfs/dbraw/zinc/04/78/98/1316047898.db2.gz AYUMTXNXGXOLFC-UXHICEINSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215308 1316047901 /nfs/dbraw/zinc/04/79/01/1316047901.db2.gz AYUMTXNXGXOLFC-UXHICEINSA-N 2 1 336.520 2.933 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202102 1316140388 /nfs/dbraw/zinc/14/03/88/1316140388.db2.gz PRIGENCCCRXKSO-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202102 1316140391 /nfs/dbraw/zinc/14/03/91/1316140391.db2.gz PRIGENCCCRXKSO-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202102 1316140393 /nfs/dbraw/zinc/14/03/93/1316140393.db2.gz PRIGENCCCRXKSO-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP COC(=O)CC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360457 1316143080 /nfs/dbraw/zinc/14/30/80/1316143080.db2.gz DSDCHMAIBHFWFA-ATZDWAIDSA-N 2 1 343.471 2.972 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235395 1316157455 /nfs/dbraw/zinc/15/74/55/1316157455.db2.gz BNIMBTNMKRMRSL-QGZVFWFLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235395 1316157457 /nfs/dbraw/zinc/15/74/57/1316157457.db2.gz BNIMBTNMKRMRSL-QGZVFWFLSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240775 1316160277 /nfs/dbraw/zinc/16/02/77/1316160277.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240775 1316160280 /nfs/dbraw/zinc/16/02/80/1316160280.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240775 1316160282 /nfs/dbraw/zinc/16/02/82/1316160282.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241632 1316161242 /nfs/dbraw/zinc/16/12/42/1316161242.db2.gz QJHCOOJSTMMDEQ-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241632 1316161244 /nfs/dbraw/zinc/16/12/44/1316161244.db2.gz QJHCOOJSTMMDEQ-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250464 1316165560 /nfs/dbraw/zinc/16/55/60/1316165560.db2.gz QPEUIHSBQXWMOQ-FUHWJXTLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250464 1316165563 /nfs/dbraw/zinc/16/55/63/1316165563.db2.gz QPEUIHSBQXWMOQ-FUHWJXTLSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259411 1316170102 /nfs/dbraw/zinc/17/01/02/1316170102.db2.gz VCKZQDBPDSFMIG-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258725645 1316173706 /nfs/dbraw/zinc/17/37/06/1316173706.db2.gz AIYUBNMSGBODOX-RNQOJCNYSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258725645 1316173708 /nfs/dbraw/zinc/17/37/08/1316173708.db2.gz AIYUBNMSGBODOX-RNQOJCNYSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258725645 1316173710 /nfs/dbraw/zinc/17/37/10/1316173710.db2.gz AIYUBNMSGBODOX-RNQOJCNYSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295609 1316189426 /nfs/dbraw/zinc/18/94/26/1316189426.db2.gz GMAATUJKMCZFLF-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347648 1316213821 /nfs/dbraw/zinc/21/38/21/1316213821.db2.gz LRKLBLRCVLLGMM-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347648 1316213822 /nfs/dbraw/zinc/21/38/22/1316213822.db2.gz LRKLBLRCVLLGMM-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347648 1316213824 /nfs/dbraw/zinc/21/38/24/1316213824.db2.gz LRKLBLRCVLLGMM-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421113 1316254675 /nfs/dbraw/zinc/25/46/75/1316254675.db2.gz FHLFTFVDAVTYAN-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421113 1316254678 /nfs/dbraw/zinc/25/46/78/1316254678.db2.gz FHLFTFVDAVTYAN-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430814 1316260267 /nfs/dbraw/zinc/26/02/67/1316260267.db2.gz CQZAVPKJJKRCDZ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430893 1316260713 /nfs/dbraw/zinc/26/07/13/1316260713.db2.gz DKRXIQJLFZTSNN-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432990 1316262875 /nfs/dbraw/zinc/26/28/75/1316262875.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432990 1316262878 /nfs/dbraw/zinc/26/28/78/1316262878.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432990 1316262884 /nfs/dbraw/zinc/26/28/84/1316262884.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465524 1316281018 /nfs/dbraw/zinc/28/10/18/1316281018.db2.gz ZNUONEQQCBMHQT-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480607 1316287109 /nfs/dbraw/zinc/28/71/09/1316287109.db2.gz UWWQUHVMSCEMLC-HXUWFJFHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545378 1316316976 /nfs/dbraw/zinc/31/69/76/1316316976.db2.gz ONKSLGXIBSADDE-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545956 1316317660 /nfs/dbraw/zinc/31/76/60/1316317660.db2.gz ZMSZRIRGRFYPDM-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040756860 1316368685 /nfs/dbraw/zinc/36/86/85/1316368685.db2.gz JOCFCRJABHBTFC-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040848254 1316388605 /nfs/dbraw/zinc/38/86/05/1316388605.db2.gz GYIGCGOUYUMQET-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849280 1316388895 /nfs/dbraw/zinc/38/88/95/1316388895.db2.gz PFNXNIBHVDBWCZ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875134 1316395028 /nfs/dbraw/zinc/39/50/28/1316395028.db2.gz SHJBDLZXLFFNGC-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953583 1316410294 /nfs/dbraw/zinc/41/02/94/1316410294.db2.gz PQXLBHFCHIRGSF-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738098 1316410787 /nfs/dbraw/zinc/41/07/87/1316410787.db2.gz FRUACDSOAKFAKD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738098 1316410788 /nfs/dbraw/zinc/41/07/88/1316410788.db2.gz FRUACDSOAKFAKD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738098 1316410790 /nfs/dbraw/zinc/41/07/90/1316410790.db2.gz FRUACDSOAKFAKD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300987 1316506685 /nfs/dbraw/zinc/50/66/85/1316506685.db2.gz KYOUMORXCJWLDM-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300987 1316506687 /nfs/dbraw/zinc/50/66/87/1316506687.db2.gz KYOUMORXCJWLDM-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041328263 1316516185 /nfs/dbraw/zinc/51/61/85/1316516185.db2.gz SXSNPSCDAXXTDW-SFHVURJKSA-N 2 1 333.501 2.534 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336361 1316518507 /nfs/dbraw/zinc/51/85/07/1316518507.db2.gz OKUPZVPSESFECC-LJQANCHMSA-N 2 1 347.528 2.924 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339573 1316520308 /nfs/dbraw/zinc/52/03/08/1316520308.db2.gz PTEWJHLHTRZCME-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339573 1316520311 /nfs/dbraw/zinc/52/03/11/1316520311.db2.gz PTEWJHLHTRZCME-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339573 1316520314 /nfs/dbraw/zinc/52/03/14/1316520314.db2.gz PTEWJHLHTRZCME-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358818 1316526959 /nfs/dbraw/zinc/52/69/59/1316526959.db2.gz QXAFGASXWSDTEX-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358818 1316526962 /nfs/dbraw/zinc/52/69/62/1316526962.db2.gz QXAFGASXWSDTEX-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041369678 1316530317 /nfs/dbraw/zinc/53/03/17/1316530317.db2.gz BHQSAYKLHVITFE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369678 1316530320 /nfs/dbraw/zinc/53/03/20/1316530320.db2.gz BHQSAYKLHVITFE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369678 1316530323 /nfs/dbraw/zinc/53/03/23/1316530323.db2.gz BHQSAYKLHVITFE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369678 1316530326 /nfs/dbraw/zinc/53/03/26/1316530326.db2.gz BHQSAYKLHVITFE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041424369 1316548771 /nfs/dbraw/zinc/54/87/71/1316548771.db2.gz ZRVPPPCBTBSYKH-HXUWFJFHSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641902 /nfs/dbraw/zinc/64/19/02/1316641902.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641904 /nfs/dbraw/zinc/64/19/04/1316641904.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641905 /nfs/dbraw/zinc/64/19/05/1316641905.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724851 1316667545 /nfs/dbraw/zinc/66/75/45/1316667545.db2.gz GMMIZMXLTBDBTM-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847422 1316733920 /nfs/dbraw/zinc/73/39/20/1316733920.db2.gz QVRDSJVYGWZADP-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847422 1316733922 /nfs/dbraw/zinc/73/39/22/1316733922.db2.gz QVRDSJVYGWZADP-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001265675346 1316851379 /nfs/dbraw/zinc/85/13/79/1316851379.db2.gz GLRZGGIKSBUCOE-CVEARBPZSA-N 2 1 348.491 2.675 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042082593 1316867646 /nfs/dbraw/zinc/86/76/46/1316867646.db2.gz FOTALTNIFZAHKO-HOCLYGCPSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042082593 1316867648 /nfs/dbraw/zinc/86/76/48/1316867648.db2.gz FOTALTNIFZAHKO-HOCLYGCPSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042082587 1316868004 /nfs/dbraw/zinc/86/80/04/1316868004.db2.gz FOTALTNIFZAHKO-GDBMZVCRSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042082587 1316868007 /nfs/dbraw/zinc/86/80/07/1316868007.db2.gz FOTALTNIFZAHKO-GDBMZVCRSA-N 2 1 333.501 2.532 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085525 1316868946 /nfs/dbraw/zinc/86/89/46/1316868946.db2.gz OORUHKNJPFGLKT-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085525 1316868947 /nfs/dbraw/zinc/86/89/47/1316868947.db2.gz OORUHKNJPFGLKT-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042086019 1316869694 /nfs/dbraw/zinc/86/96/94/1316869694.db2.gz UJIAFFUPCGVDND-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042086019 1316869695 /nfs/dbraw/zinc/86/96/95/1316869695.db2.gz UJIAFFUPCGVDND-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114838 1316887926 /nfs/dbraw/zinc/88/79/26/1316887926.db2.gz OZOMROIZRYMPGX-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897101 /nfs/dbraw/zinc/89/71/01/1316897101.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897103 /nfs/dbraw/zinc/89/71/03/1316897103.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897106 /nfs/dbraw/zinc/89/71/06/1316897106.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156434 1316917461 /nfs/dbraw/zinc/91/74/61/1316917461.db2.gz IVIWSRQTSMEUGO-RHSMWYFYSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156434 1316917465 /nfs/dbraw/zinc/91/74/65/1316917465.db2.gz IVIWSRQTSMEUGO-RHSMWYFYSA-N 2 1 344.846 2.623 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162163 1316921888 /nfs/dbraw/zinc/92/18/88/1316921888.db2.gz GRPLJAXHENWDBY-QUCCMNQESA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186186 1316940295 /nfs/dbraw/zinc/94/02/95/1316940295.db2.gz DRYMYKSFZBRYNY-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234169 1316998244 /nfs/dbraw/zinc/99/82/44/1316998244.db2.gz KPNBTDWNWSJPDC-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234169 1316998249 /nfs/dbraw/zinc/99/82/49/1316998249.db2.gz KPNBTDWNWSJPDC-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234169 1316998255 /nfs/dbraw/zinc/99/82/55/1316998255.db2.gz KPNBTDWNWSJPDC-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234170 1316998305 /nfs/dbraw/zinc/99/83/05/1316998305.db2.gz KPNBTDWNWSJPDC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234170 1316998309 /nfs/dbraw/zinc/99/83/09/1316998309.db2.gz KPNBTDWNWSJPDC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234170 1316998313 /nfs/dbraw/zinc/99/83/13/1316998313.db2.gz KPNBTDWNWSJPDC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288703 1317096093 /nfs/dbraw/zinc/09/60/93/1317096093.db2.gz UVBUVSOZWHPIJE-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296976 1317108976 /nfs/dbraw/zinc/10/89/76/1317108976.db2.gz KDOQLPVWHOWPAV-HKUYNNGSSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042307891 1317128836 /nfs/dbraw/zinc/12/88/36/1317128836.db2.gz QEHBEYCSXVQXJV-UYAOXDASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042315859 1317139201 /nfs/dbraw/zinc/13/92/01/1317139201.db2.gz DJFOKUQGOKSTFI-LPHOPBHVSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042315859 1317139211 /nfs/dbraw/zinc/13/92/11/1317139211.db2.gz DJFOKUQGOKSTFI-LPHOPBHVSA-N 2 1 342.487 2.650 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1C#N ZINC001279177569 1317204740 /nfs/dbraw/zinc/20/47/40/1317204740.db2.gz KGKQGVJAYLLHBL-UHFFFAOYSA-N 2 1 349.482 2.780 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042363987 1317215926 /nfs/dbraw/zinc/21/59/26/1317215926.db2.gz BBLYKUCOBPVDMC-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042363984 1317216233 /nfs/dbraw/zinc/21/62/33/1317216233.db2.gz BBLYKUCOBPVDMC-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368106 1317223885 /nfs/dbraw/zinc/22/38/85/1317223885.db2.gz NUPRFDWDMPEFLF-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368106 1317223889 /nfs/dbraw/zinc/22/38/89/1317223889.db2.gz NUPRFDWDMPEFLF-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279301720 1317230723 /nfs/dbraw/zinc/23/07/23/1317230723.db2.gz MGEXPCZVDTZXEE-UHFFFAOYSA-N 2 1 348.494 2.853 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001279696661 1317364770 /nfs/dbraw/zinc/36/47/70/1317364770.db2.gz DHODCDVVGGYSNO-UHFFFAOYSA-N 2 1 349.482 2.661 20 30 EFEDMP CCc1cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)ccc1C#N ZINC001280216210 1317479053 /nfs/dbraw/zinc/47/90/53/1317479053.db2.gz XNIUEXFLQHHUOL-UHFFFAOYSA-N 2 1 349.482 2.942 20 30 EFEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001324225022 1329609333 /nfs/dbraw/zinc/60/93/33/1329609333.db2.gz GJLOJCGDTJWESY-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCCC1 ZINC001326158376 1329735513 /nfs/dbraw/zinc/73/55/13/1329735513.db2.gz BEUWLOKVLSPEIY-UHFFFAOYSA-N 2 1 328.460 2.741 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570367 1332268856 /nfs/dbraw/zinc/26/88/56/1332268856.db2.gz XNGYHBFJNXDEHR-RTBURBONSA-N 2 1 329.488 2.698 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341616449 1332271253 /nfs/dbraw/zinc/27/12/53/1332271253.db2.gz YTTUIMMSEKGXRG-NZSAHSFTSA-N 2 1 329.488 2.697 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001341696746 1332277574 /nfs/dbraw/zinc/27/75/74/1332277574.db2.gz LXUAHASFSXMVFI-YJBOKZPZSA-N 2 1 331.460 2.702 20 30 EFEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972230 1332890940 /nfs/dbraw/zinc/89/09/40/1332890940.db2.gz IAIIUQDJIRUWKI-SFHVURJKSA-N 2 1 342.487 2.844 20 30 EFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001351614958 1333257050 /nfs/dbraw/zinc/25/70/50/1333257050.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001926018 1333752410 /nfs/dbraw/zinc/75/24/10/1333752410.db2.gz SQTGCQONQCQXIE-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001926018 1333752413 /nfs/dbraw/zinc/75/24/13/1333752413.db2.gz SQTGCQONQCQXIE-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602109 1334382269 /nfs/dbraw/zinc/38/22/69/1334382269.db2.gz TYXRXAKZJNSRKT-FAFZWHIHSA-N 2 1 333.520 2.844 20 30 EFEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848532806 1334779900 /nfs/dbraw/zinc/77/99/00/1334779900.db2.gz BAIUXLDWSDTTTO-RTBURBONSA-N 2 1 343.471 2.710 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000849026502 1335046185 /nfs/dbraw/zinc/04/61/85/1335046185.db2.gz GNMAAEXEQJUKIJ-UHFFFAOYSA-N 2 1 340.471 2.782 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000849026502 1335046189 /nfs/dbraw/zinc/04/61/89/1335046189.db2.gz GNMAAEXEQJUKIJ-UHFFFAOYSA-N 2 1 340.471 2.782 20 30 EFEDMP c1ccc(NC(=[NH+]CC[NH+]2CCSCC2)N2CCCCC2)cc1 ZINC000849099692 1335551821 /nfs/dbraw/zinc/55/18/21/1335551821.db2.gz FDTNTBVSSPMJCR-UHFFFAOYSA-N 2 1 332.517 2.989 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234592 1337468201 /nfs/dbraw/zinc/46/82/01/1337468201.db2.gz XDAOOTLPEPIBDR-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001367128776 1338417674 /nfs/dbraw/zinc/41/76/74/1338417674.db2.gz RHHMWADRTKGTDR-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001368668576 1339582021 /nfs/dbraw/zinc/58/20/21/1339582021.db2.gz NZBGFRUIWFECKD-CABCVRRESA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001368668576 1339582022 /nfs/dbraw/zinc/58/20/22/1339582022.db2.gz NZBGFRUIWFECKD-CABCVRRESA-N 2 1 329.916 2.542 20 30 EFEDMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001368735603 1339655865 /nfs/dbraw/zinc/65/58/65/1339655865.db2.gz AFLSDJYPIARGDX-INIZCTEOSA-N 2 1 344.503 2.521 20 30 EFEDMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001368735654 1339656330 /nfs/dbraw/zinc/65/63/30/1339656330.db2.gz BKCOSNCUSZRCMV-INIZCTEOSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368769666 1339694189 /nfs/dbraw/zinc/69/41/89/1339694189.db2.gz GTYVSSXJHREGJI-KRWDZBQOSA-N 2 1 343.943 2.886 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001368807323 1339744026 /nfs/dbraw/zinc/74/40/26/1339744026.db2.gz GLGVSVWCPLSJSS-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001368807323 1339744029 /nfs/dbraw/zinc/74/40/29/1339744029.db2.gz GLGVSVWCPLSJSS-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368810718 1339748904 /nfs/dbraw/zinc/74/89/04/1339748904.db2.gz TXUXRXQZMDGTEN-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368810718 1339748908 /nfs/dbraw/zinc/74/89/08/1339748908.db2.gz TXUXRXQZMDGTEN-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001376380151 1343533350 /nfs/dbraw/zinc/53/33/50/1343533350.db2.gz JTAAJUAKSAXLOZ-QBPKDAKJSA-N 2 1 341.927 2.591 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376614817 1343721694 /nfs/dbraw/zinc/72/16/94/1343721694.db2.gz CLLIGHXVPFTPKM-HOTGVXAUSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614817 1343721699 /nfs/dbraw/zinc/72/16/99/1343721699.db2.gz CLLIGHXVPFTPKM-HOTGVXAUSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614817 1343721701 /nfs/dbraw/zinc/72/17/01/1343721701.db2.gz CLLIGHXVPFTPKM-HOTGVXAUSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001378493061 1345122360 /nfs/dbraw/zinc/12/23/60/1345122360.db2.gz HALYRKAMTPMKDS-QGZVFWFLSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001378911798 1345417089 /nfs/dbraw/zinc/41/70/89/1345417089.db2.gz DZQICZSZVQPKNB-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001378911798 1345417091 /nfs/dbraw/zinc/41/70/91/1345417091.db2.gz DZQICZSZVQPKNB-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001378911798 1345417093 /nfs/dbraw/zinc/41/70/93/1345417093.db2.gz DZQICZSZVQPKNB-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001380786670 1347878188 /nfs/dbraw/zinc/87/81/88/1347878188.db2.gz ZWEYHXWSFQVTRR-RHSMWYFYSA-N 2 1 335.879 2.800 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001381165291 1348114897 /nfs/dbraw/zinc/11/48/97/1348114897.db2.gz ORZDFERZEAIZCP-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001381165291 1348114900 /nfs/dbraw/zinc/11/49/00/1348114900.db2.gz ORZDFERZEAIZCP-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001394699110 1358024163 /nfs/dbraw/zinc/02/41/63/1358024163.db2.gz BQVQQMJXAFZUDD-MSOLQXFVSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001394699110 1358024165 /nfs/dbraw/zinc/02/41/65/1358024165.db2.gz BQVQQMJXAFZUDD-MSOLQXFVSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197651 1355853866 /nfs/dbraw/zinc/85/38/66/1355853866.db2.gz RDRJTBUEJNQYHF-GOEBONIOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197661 1355854458 /nfs/dbraw/zinc/85/44/58/1355854458.db2.gz RDRJTBUEJNQYHF-ZBFHGGJFSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060707 1387390950 /nfs/dbraw/zinc/39/09/50/1387390950.db2.gz SOMDBXJINRVAGX-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001400103660 1361739278 /nfs/dbraw/zinc/73/92/78/1361739278.db2.gz KJSDUYPNURGBPJ-DLBZAZTESA-N 2 1 337.895 2.772 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001401232914 1362570710 /nfs/dbraw/zinc/57/07/10/1362570710.db2.gz KYLLTKXMSDOKLV-HNNXBMFYSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001401294786 1362641591 /nfs/dbraw/zinc/64/15/91/1362641591.db2.gz GKDOUWRTUAGURV-MAUKXSAKSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001401294786 1362641596 /nfs/dbraw/zinc/64/15/96/1362641596.db2.gz GKDOUWRTUAGURV-MAUKXSAKSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001401297677 1362644253 /nfs/dbraw/zinc/64/42/53/1362644253.db2.gz PFFXUMZXNOPRAQ-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001402037817 1363348892 /nfs/dbraw/zinc/34/88/92/1363348892.db2.gz FBKUUILNJJQXNH-INIZCTEOSA-N 2 1 329.916 2.782 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001402064566 1363371479 /nfs/dbraw/zinc/37/14/79/1363371479.db2.gz ZMHNBNLPQNORTN-HUUCEWRRSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771019 1364019357 /nfs/dbraw/zinc/01/93/57/1364019357.db2.gz CTPNUOZDVSKTFI-RDJZCZTQSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001403285172 1364499515 /nfs/dbraw/zinc/49/95/15/1364499515.db2.gz DJXHOONZDYQZBZ-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001403285172 1364499520 /nfs/dbraw/zinc/49/95/20/1364499520.db2.gz DJXHOONZDYQZBZ-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001403285172 1364499508 /nfs/dbraw/zinc/49/95/08/1364499508.db2.gz DJXHOONZDYQZBZ-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001403285172 1364499512 /nfs/dbraw/zinc/49/95/12/1364499512.db2.gz DJXHOONZDYQZBZ-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026476 1368344564 /nfs/dbraw/zinc/34/45/64/1368344564.db2.gz JQZSVEJCXPZFRB-WMZOPIPTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026476 1368344569 /nfs/dbraw/zinc/34/45/69/1368344569.db2.gz JQZSVEJCXPZFRB-WMZOPIPTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001437992396 1388303967 /nfs/dbraw/zinc/30/39/67/1388303967.db2.gz ASJPERMUSWUVGS-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001437992396 1388303974 /nfs/dbraw/zinc/30/39/74/1388303974.db2.gz ASJPERMUSWUVGS-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001437992396 1388303978 /nfs/dbraw/zinc/30/39/78/1388303978.db2.gz ASJPERMUSWUVGS-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001420017805 1376291889 /nfs/dbraw/zinc/29/18/89/1376291889.db2.gz KTGJNSRKCCOMIC-HOTGVXAUSA-N 2 1 338.883 2.741 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001422085394 1379591780 /nfs/dbraw/zinc/59/17/80/1379591780.db2.gz GDGVZRDJIZBQOO-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001422085394 1379591784 /nfs/dbraw/zinc/59/17/84/1379591784.db2.gz GDGVZRDJIZBQOO-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247752 1379854953 /nfs/dbraw/zinc/85/49/53/1379854953.db2.gz WPPJUQKZNBNXHH-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247761 1379855559 /nfs/dbraw/zinc/85/55/59/1379855559.db2.gz WPPJUQKZNBNXHH-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001425963306 1383902480 /nfs/dbraw/zinc/90/24/80/1383902480.db2.gz VGJRCWVUHLPEKJ-LSDHHAIUSA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496912282 1401098470 /nfs/dbraw/zinc/09/84/70/1401098470.db2.gz NLMJZYPYHQUYBD-HZPDHXFCSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496912281 1401098659 /nfs/dbraw/zinc/09/86/59/1401098659.db2.gz NLMJZYPYHQUYBD-HOTGVXAUSA-N 2 1 338.883 2.599 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(C)C)CC1 ZINC000969155631 712942170 /nfs/dbraw/zinc/94/21/70/712942170.db2.gz CKEPNJJNVLFTTF-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723200 717892228 /nfs/dbraw/zinc/89/22/28/717892228.db2.gz SMLADAYKYBRQTB-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679596 713214307 /nfs/dbraw/zinc/21/43/07/713214307.db2.gz HAJHYDBRRAJEIF-IAGOWNOFSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325996 713635967 /nfs/dbraw/zinc/63/59/67/713635967.db2.gz LWQXDMSEVXYMOU-APWZRJJASA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325998 713636020 /nfs/dbraw/zinc/63/60/20/713636020.db2.gz LWQXDMSEVXYMOU-LPHOPBHVSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001021285141 713732743 /nfs/dbraw/zinc/73/27/43/713732743.db2.gz CRLNATYQQXYPAI-NXEWRWPSSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001021285141 713732748 /nfs/dbraw/zinc/73/27/48/713732748.db2.gz CRLNATYQQXYPAI-NXEWRWPSSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021285141 713732751 /nfs/dbraw/zinc/73/27/51/713732751.db2.gz CRLNATYQQXYPAI-NXEWRWPSSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021285141 713732755 /nfs/dbraw/zinc/73/27/55/713732755.db2.gz CRLNATYQQXYPAI-NXEWRWPSSA-N 2 1 345.531 2.632 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980214281 717926942 /nfs/dbraw/zinc/92/69/42/717926942.db2.gz FASOLDHIAIBBDT-IPMKNSEASA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039238033 714137009 /nfs/dbraw/zinc/13/70/09/714137009.db2.gz JZQAOYICYPFEQU-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021607870 714169579 /nfs/dbraw/zinc/16/95/79/714169579.db2.gz YBVAEOSTYBCPSI-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607870 714169580 /nfs/dbraw/zinc/16/95/80/714169580.db2.gz YBVAEOSTYBCPSI-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607870 714169582 /nfs/dbraw/zinc/16/95/82/714169582.db2.gz YBVAEOSTYBCPSI-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607870 714169583 /nfs/dbraw/zinc/16/95/83/714169583.db2.gz YBVAEOSTYBCPSI-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621962 714191460 /nfs/dbraw/zinc/19/14/60/714191460.db2.gz GAPMGAYPXPIVLG-PKOBYXMFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666117 714264793 /nfs/dbraw/zinc/26/47/93/714264793.db2.gz PHTDXKLMDSIFSX-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669954 714271467 /nfs/dbraw/zinc/27/14/67/714271467.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669954 714271469 /nfs/dbraw/zinc/27/14/69/714271469.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669954 714271473 /nfs/dbraw/zinc/27/14/73/714271473.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682393 714295460 /nfs/dbraw/zinc/29/54/60/714295460.db2.gz QLRJRVPEAXQECC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682393 714295462 /nfs/dbraw/zinc/29/54/62/714295462.db2.gz QLRJRVPEAXQECC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681753 714295622 /nfs/dbraw/zinc/29/56/22/714295622.db2.gz JFZIPWQYLMOIBQ-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681753 714295624 /nfs/dbraw/zinc/29/56/24/714295624.db2.gz JFZIPWQYLMOIBQ-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682387 714295631 /nfs/dbraw/zinc/29/56/31/714295631.db2.gz QLRJRVPEAXQECC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682387 714295633 /nfs/dbraw/zinc/29/56/33/714295633.db2.gz QLRJRVPEAXQECC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691663 714314907 /nfs/dbraw/zinc/31/49/07/714314907.db2.gz QMRMXVCTDVRCAD-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701466 714335527 /nfs/dbraw/zinc/33/55/27/714335527.db2.gz ZBKXAQVZFJUZJK-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707648 714345050 /nfs/dbraw/zinc/34/50/50/714345050.db2.gz WRYLEQREZXYURC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738505 714398946 /nfs/dbraw/zinc/39/89/46/714398946.db2.gz BQRMJCCWJMCWPZ-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542132 714701022 /nfs/dbraw/zinc/70/10/22/714701022.db2.gz ZIZVAJMEYFGGJP-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542132 714701024 /nfs/dbraw/zinc/70/10/24/714701024.db2.gz ZIZVAJMEYFGGJP-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542132 714701026 /nfs/dbraw/zinc/70/10/26/714701026.db2.gz ZIZVAJMEYFGGJP-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022081789 714734869 /nfs/dbraw/zinc/73/48/69/714734869.db2.gz NKIAWNMOFNLLHD-OAGGEKHMSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624312 718036287 /nfs/dbraw/zinc/03/62/87/718036287.db2.gz OVIFIVUILGIUJD-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624312 718036291 /nfs/dbraw/zinc/03/62/91/718036291.db2.gz OVIFIVUILGIUJD-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588482 715237009 /nfs/dbraw/zinc/23/70/09/715237009.db2.gz JAZXEHVIMGRTTO-UXLLHSPISA-N 2 1 339.911 2.773 20 30 EFEDMP CC#CCN1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366769 /nfs/dbraw/zinc/36/67/69/715366769.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366773 /nfs/dbraw/zinc/36/67/73/715366773.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366776 /nfs/dbraw/zinc/36/67/76/715366776.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366780 /nfs/dbraw/zinc/36/67/80/715366780.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366784 /nfs/dbraw/zinc/36/67/84/715366784.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369681 /nfs/dbraw/zinc/36/96/81/715369681.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369683 /nfs/dbraw/zinc/36/96/83/715369683.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369690 /nfs/dbraw/zinc/36/96/90/715369690.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038990 715444353 /nfs/dbraw/zinc/44/43/53/715444353.db2.gz MHJFTGMIGNLVJZ-DNVCBOLYSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029470 715453671 /nfs/dbraw/zinc/45/36/71/715453671.db2.gz BIPPUMBLSMGKGX-KXBFYZLASA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029470 715453676 /nfs/dbraw/zinc/45/36/76/715453676.db2.gz BIPPUMBLSMGKGX-KXBFYZLASA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029470 715453680 /nfs/dbraw/zinc/45/36/80/715453680.db2.gz BIPPUMBLSMGKGX-KXBFYZLASA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975063788 715465176 /nfs/dbraw/zinc/46/51/76/715465176.db2.gz QTAFKSDWYNKURX-LJQANCHMSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411173 715705068 /nfs/dbraw/zinc/70/50/68/715705068.db2.gz NQVUVCXZNBHWAW-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411173 715705073 /nfs/dbraw/zinc/70/50/73/715705073.db2.gz NQVUVCXZNBHWAW-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411173 715705079 /nfs/dbraw/zinc/70/50/79/715705079.db2.gz NQVUVCXZNBHWAW-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972339965 715720438 /nfs/dbraw/zinc/72/04/38/715720438.db2.gz PPJFHOVZKRZKSW-GOSISDBHSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972339965 715720440 /nfs/dbraw/zinc/72/04/40/715720440.db2.gz PPJFHOVZKRZKSW-GOSISDBHSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027439610 715805122 /nfs/dbraw/zinc/80/51/22/715805122.db2.gz NHWSALXNPYRUQW-DLBZAZTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439610 715805127 /nfs/dbraw/zinc/80/51/27/715805127.db2.gz NHWSALXNPYRUQW-DLBZAZTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439610 715805132 /nfs/dbraw/zinc/80/51/32/715805132.db2.gz NHWSALXNPYRUQW-DLBZAZTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439610 715805136 /nfs/dbraw/zinc/80/51/36/715805136.db2.gz NHWSALXNPYRUQW-DLBZAZTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443420 715817337 /nfs/dbraw/zinc/81/73/37/715817337.db2.gz LSOLQHUPCCVBFW-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027443420 715817342 /nfs/dbraw/zinc/81/73/42/715817342.db2.gz LSOLQHUPCCVBFW-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027443420 715817347 /nfs/dbraw/zinc/81/73/47/715817347.db2.gz LSOLQHUPCCVBFW-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000176748436 715839803 /nfs/dbraw/zinc/83/98/03/715839803.db2.gz DDSAIRBZWKMLBR-KRWDZBQOSA-N 2 1 345.487 2.956 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449779 715841379 /nfs/dbraw/zinc/84/13/79/715841379.db2.gz GZXGNWRRTKCWIS-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449779 715841385 /nfs/dbraw/zinc/84/13/85/715841385.db2.gz GZXGNWRRTKCWIS-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449779 715841388 /nfs/dbraw/zinc/84/13/88/715841388.db2.gz GZXGNWRRTKCWIS-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449779 715841392 /nfs/dbraw/zinc/84/13/92/715841392.db2.gz GZXGNWRRTKCWIS-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977334212 716096978 /nfs/dbraw/zinc/09/69/78/716096978.db2.gz KIBJZJPHEKICAA-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977430705 716214568 /nfs/dbraw/zinc/21/45/68/716214568.db2.gz TUSTYTVKCURVRF-GOSISDBHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646330 716313015 /nfs/dbraw/zinc/31/30/15/716313015.db2.gz FKUUKVISETXPOP-FPOVZHCZSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621847 716422239 /nfs/dbraw/zinc/42/22/39/716422239.db2.gz JLYDMRLQSYTGRP-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622096 716422480 /nfs/dbraw/zinc/42/24/80/716422480.db2.gz NYUJNVOKNCFLLX-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410883 716430541 /nfs/dbraw/zinc/43/05/41/716430541.db2.gz XAHJNXCEPRHXGF-IRXDYDNUSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410883 716430547 /nfs/dbraw/zinc/43/05/47/716430547.db2.gz XAHJNXCEPRHXGF-IRXDYDNUSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410883 716430551 /nfs/dbraw/zinc/43/05/51/716430551.db2.gz XAHJNXCEPRHXGF-IRXDYDNUSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410883 716430556 /nfs/dbraw/zinc/43/05/56/716430556.db2.gz XAHJNXCEPRHXGF-IRXDYDNUSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410883 716430561 /nfs/dbraw/zinc/43/05/61/716430561.db2.gz XAHJNXCEPRHXGF-IRXDYDNUSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414104 716439323 /nfs/dbraw/zinc/43/93/23/716439323.db2.gz MTZLCFIBZPPZJW-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414104 716439324 /nfs/dbraw/zinc/43/93/24/716439324.db2.gz MTZLCFIBZPPZJW-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414104 716439326 /nfs/dbraw/zinc/43/93/26/716439326.db2.gz MTZLCFIBZPPZJW-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977658762 716450127 /nfs/dbraw/zinc/45/01/27/716450127.db2.gz JAKZAKVYAGODCE-GOSISDBHSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977658762 716450133 /nfs/dbraw/zinc/45/01/33/716450133.db2.gz JAKZAKVYAGODCE-GOSISDBHSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978842036 716489898 /nfs/dbraw/zinc/48/98/98/716489898.db2.gz BMJICMALHKBCFW-OWZKRDHZSA-N 2 1 341.499 2.622 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692623 716542012 /nfs/dbraw/zinc/54/20/12/716542012.db2.gz MGSBZFNTBUFKML-SFHVURJKSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978953515 716599985 /nfs/dbraw/zinc/59/99/85/716599985.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978953515 716599987 /nfs/dbraw/zinc/59/99/87/716599987.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978953515 716599992 /nfs/dbraw/zinc/59/99/92/716599992.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550370 716610951 /nfs/dbraw/zinc/61/09/51/716610951.db2.gz ZSTWFMJZESNJML-RTBURBONSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550370 716610954 /nfs/dbraw/zinc/61/09/54/716610954.db2.gz ZSTWFMJZESNJML-RTBURBONSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550370 716610958 /nfs/dbraw/zinc/61/09/58/716610958.db2.gz ZSTWFMJZESNJML-RTBURBONSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550367 716611106 /nfs/dbraw/zinc/61/11/06/716611106.db2.gz ZSTWFMJZESNJML-MOPGFXCFSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550367 716611107 /nfs/dbraw/zinc/61/11/07/716611107.db2.gz ZSTWFMJZESNJML-MOPGFXCFSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550367 716611108 /nfs/dbraw/zinc/61/11/08/716611108.db2.gz ZSTWFMJZESNJML-MOPGFXCFSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023586125 716662758 /nfs/dbraw/zinc/66/27/58/716662758.db2.gz UVGVJYMTAZGJMF-CVEARBPZSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023586125 716662764 /nfs/dbraw/zinc/66/27/64/716662764.db2.gz UVGVJYMTAZGJMF-CVEARBPZSA-N 2 1 330.476 2.624 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646448 716764777 /nfs/dbraw/zinc/76/47/77/716764777.db2.gz NGDHFQWWRVDMLQ-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694782 716832925 /nfs/dbraw/zinc/83/29/25/716832925.db2.gz KYGKZAHOTMQRAY-IBGZPJMESA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695003 716833518 /nfs/dbraw/zinc/83/35/18/716833518.db2.gz RVDHRKUGUWUVAJ-SFHVURJKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149264 716854018 /nfs/dbraw/zinc/85/40/18/716854018.db2.gz VYVBAPMASQFIFR-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149264 716854022 /nfs/dbraw/zinc/85/40/22/716854022.db2.gz VYVBAPMASQFIFR-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149264 716854026 /nfs/dbraw/zinc/85/40/26/716854026.db2.gz VYVBAPMASQFIFR-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978280847 716944053 /nfs/dbraw/zinc/94/40/53/716944053.db2.gz ZNMGXZGKPZVGHN-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978280847 716944056 /nfs/dbraw/zinc/94/40/56/716944056.db2.gz ZNMGXZGKPZVGHN-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978280847 716944060 /nfs/dbraw/zinc/94/40/60/716944060.db2.gz ZNMGXZGKPZVGHN-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC000979781290 717426482 /nfs/dbraw/zinc/42/64/82/717426482.db2.gz YMCAJWYNQVJZDW-USXIJHARSA-N 2 1 347.528 2.826 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1 ZINC000985474806 724448115 /nfs/dbraw/zinc/44/81/15/724448115.db2.gz GGUBGVJFLVHCPY-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC000985474806 724448117 /nfs/dbraw/zinc/44/81/17/724448117.db2.gz GGUBGVJFLVHCPY-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2=CCCCC2)CC1 ZINC000985474806 724448118 /nfs/dbraw/zinc/44/81/18/724448118.db2.gz GGUBGVJFLVHCPY-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2=CCCCC2)CC1 ZINC000985474806 724448119 /nfs/dbraw/zinc/44/81/19/724448119.db2.gz GGUBGVJFLVHCPY-FQEVSTJZSA-N 2 1 343.515 2.507 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979975554 717630108 /nfs/dbraw/zinc/63/01/08/717630108.db2.gz BPTAQEJGAMFXLZ-IPMKNSEASA-N 2 1 345.531 2.655 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@@H]2C1 ZINC000979990878 717640182 /nfs/dbraw/zinc/64/01/82/717640182.db2.gz RTMXMFHNYAQBCF-KSZLIROESA-N 2 1 344.503 2.719 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@@H]2C1 ZINC000979990883 717640219 /nfs/dbraw/zinc/64/02/19/717640219.db2.gz RTMXMFHNYAQBCF-RCCFBDPRSA-N 2 1 344.503 2.719 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083333 717728897 /nfs/dbraw/zinc/72/88/97/717728897.db2.gz IBPZLAIHCIDUTO-YESZJQIVSA-N 2 1 338.455 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980089199 717732711 /nfs/dbraw/zinc/73/27/11/717732711.db2.gz XJHSCEVMTZOXHS-GBESFXJTSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440371 717738946 /nfs/dbraw/zinc/73/89/46/717738946.db2.gz ORJADLVMIXAOJD-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141514 717786425 /nfs/dbraw/zinc/78/64/25/717786425.db2.gz BLQWXPBQLQKUGL-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141514 717786429 /nfs/dbraw/zinc/78/64/29/717786429.db2.gz BLQWXPBQLQKUGL-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141514 717786431 /nfs/dbraw/zinc/78/64/31/717786431.db2.gz BLQWXPBQLQKUGL-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479261 717792749 /nfs/dbraw/zinc/79/27/49/717792749.db2.gz CYWRXNVATNRMHB-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479261 717792751 /nfs/dbraw/zinc/79/27/51/717792751.db2.gz CYWRXNVATNRMHB-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479261 717792753 /nfs/dbraw/zinc/79/27/53/717792753.db2.gz CYWRXNVATNRMHB-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479308 717793716 /nfs/dbraw/zinc/79/37/16/717793716.db2.gz FDRCTOHQQHJMSE-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479308 717793722 /nfs/dbraw/zinc/79/37/22/717793722.db2.gz FDRCTOHQQHJMSE-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479308 717793728 /nfs/dbraw/zinc/79/37/28/717793728.db2.gz FDRCTOHQQHJMSE-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479941 717805769 /nfs/dbraw/zinc/80/57/69/717805769.db2.gz UKNHQFFGNBSNAH-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479941 717805773 /nfs/dbraw/zinc/80/57/73/717805773.db2.gz UKNHQFFGNBSNAH-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154018 717810191 /nfs/dbraw/zinc/81/01/91/717810191.db2.gz FUUNGCRUXCVEQT-JQHSSLGASA-N 2 1 345.487 2.748 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168371 717835621 /nfs/dbraw/zinc/83/56/21/717835621.db2.gz NKLLNIVNXKSGAB-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168371 717835624 /nfs/dbraw/zinc/83/56/24/717835624.db2.gz NKLLNIVNXKSGAB-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168371 717835627 /nfs/dbraw/zinc/83/56/27/717835627.db2.gz NKLLNIVNXKSGAB-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980190747 717881795 /nfs/dbraw/zinc/88/17/95/717881795.db2.gz YUTIIFOOBAORMS-ZCNNSNEGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647747 718055587 /nfs/dbraw/zinc/05/55/87/718055587.db2.gz UACFBYRAENNHOM-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647747 718055591 /nfs/dbraw/zinc/05/55/91/718055591.db2.gz UACFBYRAENNHOM-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762888 718143825 /nfs/dbraw/zinc/14/38/25/718143825.db2.gz YGRRPNAYXVTYRI-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762888 718143826 /nfs/dbraw/zinc/14/38/26/718143826.db2.gz YGRRPNAYXVTYRI-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762887 718143922 /nfs/dbraw/zinc/14/39/22/718143922.db2.gz YGRRPNAYXVTYRI-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762887 718143924 /nfs/dbraw/zinc/14/39/24/718143924.db2.gz YGRRPNAYXVTYRI-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818955 718179813 /nfs/dbraw/zinc/17/98/13/718179813.db2.gz ITMDRXVLPRUEMP-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240356 718460009 /nfs/dbraw/zinc/46/00/09/718460009.db2.gz NPZRXTNMXRAGBX-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240356 718460011 /nfs/dbraw/zinc/46/00/11/718460011.db2.gz NPZRXTNMXRAGBX-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240356 718460014 /nfs/dbraw/zinc/46/00/14/718460014.db2.gz NPZRXTNMXRAGBX-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250269 718470497 /nfs/dbraw/zinc/47/04/97/718470497.db2.gz AKRLDELZTYMJSH-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250269 718470498 /nfs/dbraw/zinc/47/04/98/718470498.db2.gz AKRLDELZTYMJSH-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258220 718474166 /nfs/dbraw/zinc/47/41/66/718474166.db2.gz DPQGGTPWXQRHRJ-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258821 718475250 /nfs/dbraw/zinc/47/52/50/718475250.db2.gz JIZLOWIBGGIYAO-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265287 718486184 /nfs/dbraw/zinc/48/61/84/718486184.db2.gz DYBRKCSJISUHCB-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265287 718486186 /nfs/dbraw/zinc/48/61/86/718486186.db2.gz DYBRKCSJISUHCB-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265287 718486191 /nfs/dbraw/zinc/48/61/91/718486191.db2.gz DYBRKCSJISUHCB-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260583 718488150 /nfs/dbraw/zinc/48/81/50/718488150.db2.gz YNDCDUYOSJPVOX-RTBURBONSA-N 2 1 345.531 2.730 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045355 718489322 /nfs/dbraw/zinc/48/93/22/718489322.db2.gz FLZWBJNKXIPXEV-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275658 718514202 /nfs/dbraw/zinc/51/42/02/718514202.db2.gz YDEBDUPAKXHRIX-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279638 718517756 /nfs/dbraw/zinc/51/77/56/718517756.db2.gz FOYPBIXFQPYNOU-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279944 718518088 /nfs/dbraw/zinc/51/80/88/718518088.db2.gz JHCCDPPCLLZMLO-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281446 718519884 /nfs/dbraw/zinc/51/98/84/718519884.db2.gz VGYGAXTZYOAKHM-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289356 718527526 /nfs/dbraw/zinc/52/75/26/718527526.db2.gz ZHBZGZKEJZCNDK-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294256 718536570 /nfs/dbraw/zinc/53/65/70/718536570.db2.gz YGXKPCCUTDIJSP-ROUUACIJSA-N 2 1 330.476 2.682 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294257 718536680 /nfs/dbraw/zinc/53/66/80/718536680.db2.gz YGXKPCCUTDIJSP-ZWKOTPCHSA-N 2 1 330.476 2.682 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025297184 718543763 /nfs/dbraw/zinc/54/37/63/718543763.db2.gz XTTDNOPUEKTSEZ-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301648 718547300 /nfs/dbraw/zinc/54/73/00/718547300.db2.gz NSGKFBDLMXPJMZ-PMACEKPBSA-N 2 1 345.531 2.731 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001029917000 724522303 /nfs/dbraw/zinc/52/23/03/724522303.db2.gz GADMUDQCGVROON-PMACEKPBSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029917000 724522306 /nfs/dbraw/zinc/52/23/06/724522306.db2.gz GADMUDQCGVROON-PMACEKPBSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029917000 724522308 /nfs/dbraw/zinc/52/23/08/724522308.db2.gz GADMUDQCGVROON-PMACEKPBSA-N 2 1 341.499 2.760 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981364537 718665654 /nfs/dbraw/zinc/66/56/54/718665654.db2.gz ODHQGAMRQSEJTF-HUUCEWRRSA-N 2 1 338.883 2.776 20 30 EFEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687038 718942886 /nfs/dbraw/zinc/94/28/86/718942886.db2.gz CXFGOIUROWBGJE-UHFFFAOYSA-N 2 1 329.488 2.515 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779661 719037438 /nfs/dbraw/zinc/03/74/38/719037438.db2.gz FZEICKYMKSCHIJ-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779661 719037441 /nfs/dbraw/zinc/03/74/41/719037441.db2.gz FZEICKYMKSCHIJ-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799106 719052287 /nfs/dbraw/zinc/05/22/87/719052287.db2.gz NWNSNBAYLCCKCY-UHFFFAOYSA-N 2 1 333.501 2.534 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528134 719071696 /nfs/dbraw/zinc/07/16/96/719071696.db2.gz QKCJLMPYOWQLAV-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822864 719090148 /nfs/dbraw/zinc/09/01/48/719090148.db2.gz VEMBDEKYUNDYMJ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822864 719090150 /nfs/dbraw/zinc/09/01/50/719090150.db2.gz VEMBDEKYUNDYMJ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822864 719090156 /nfs/dbraw/zinc/09/01/56/719090156.db2.gz VEMBDEKYUNDYMJ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000981839280 719108860 /nfs/dbraw/zinc/10/88/60/719108860.db2.gz SESGJCCMEXWZLO-UHFFFAOYSA-N 2 1 344.503 2.817 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842718 719120636 /nfs/dbraw/zinc/12/06/36/719120636.db2.gz JLHJRQJKJSKCOE-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842718 719120639 /nfs/dbraw/zinc/12/06/39/719120639.db2.gz JLHJRQJKJSKCOE-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842718 719120641 /nfs/dbraw/zinc/12/06/41/719120641.db2.gz JLHJRQJKJSKCOE-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137028 719121946 /nfs/dbraw/zinc/12/19/46/719121946.db2.gz DKVLUVRXDUKCBN-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557356 719124122 /nfs/dbraw/zinc/12/41/22/719124122.db2.gz GUCYBZOZDFNFNC-YLJYHZDGSA-N 2 1 341.499 2.602 20 30 EFEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861522 719140213 /nfs/dbraw/zinc/14/02/13/719140213.db2.gz VKKAPFDBEGTIDX-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000981861522 719140219 /nfs/dbraw/zinc/14/02/19/719140219.db2.gz VKKAPFDBEGTIDX-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874260 719154148 /nfs/dbraw/zinc/15/41/48/719154148.db2.gz DIACGRBZXWPIEY-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583675 719165146 /nfs/dbraw/zinc/16/51/46/719165146.db2.gz AXXYSWZQKQDBBC-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583853 719165490 /nfs/dbraw/zinc/16/54/90/719165490.db2.gz CBGCYURIUPMXOX-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472439 719178180 /nfs/dbraw/zinc/17/81/80/719178180.db2.gz HFIDTSHXTDJWBO-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472439 719178183 /nfs/dbraw/zinc/17/81/83/719178183.db2.gz HFIDTSHXTDJWBO-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472439 719178184 /nfs/dbraw/zinc/17/81/84/719178184.db2.gz HFIDTSHXTDJWBO-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593859 719190067 /nfs/dbraw/zinc/19/00/67/719190067.db2.gz WLDCYIGSFZBFTR-FXAWDEMLSA-N 2 1 347.547 2.901 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628859 719251870 /nfs/dbraw/zinc/25/18/70/719251870.db2.gz XIGXUJGXPRSLLG-FXAWDEMLSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000982012179 719435591 /nfs/dbraw/zinc/43/55/91/719435591.db2.gz RLLLRMYVOCIYAF-UHFFFAOYSA-N 2 1 341.499 2.515 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116259 719573746 /nfs/dbraw/zinc/57/37/46/719573746.db2.gz IMMLDRXQPWVNCC-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162632 719606890 /nfs/dbraw/zinc/60/68/90/719606890.db2.gz XBQJVBHNJWQVFJ-HZPDHXFCSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162632 719606892 /nfs/dbraw/zinc/60/68/92/719606892.db2.gz XBQJVBHNJWQVFJ-HZPDHXFCSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163700 719608461 /nfs/dbraw/zinc/60/84/61/719608461.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163700 719608464 /nfs/dbraw/zinc/60/84/64/719608464.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163700 719608467 /nfs/dbraw/zinc/60/84/67/719608467.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306344 719874796 /nfs/dbraw/zinc/87/47/96/719874796.db2.gz PQRFDRYTEPXNLM-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306344 719874799 /nfs/dbraw/zinc/87/47/99/719874799.db2.gz PQRFDRYTEPXNLM-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306344 719874802 /nfs/dbraw/zinc/87/48/02/719874802.db2.gz PQRFDRYTEPXNLM-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362247 719999254 /nfs/dbraw/zinc/99/92/54/719999254.db2.gz VNRWPBNTDFIIQP-GOEBONIOSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342803 720396597 /nfs/dbraw/zinc/39/65/97/720396597.db2.gz GQZUMTMIOJQMFG-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]12 ZINC001026370765 720414404 /nfs/dbraw/zinc/41/44/04/720414404.db2.gz YDXXKGYBSCVJPH-KZNAEPCWSA-N 2 1 344.503 2.799 20 30 EFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000312491924 720541199 /nfs/dbraw/zinc/54/11/99/720541199.db2.gz KFZVWLZVXXKTEF-ZDUSSCGKSA-N 2 1 339.277 2.748 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505650 720682872 /nfs/dbraw/zinc/68/28/72/720682872.db2.gz LCLINMWRYRQMQK-GTPINHCMSA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001026507622 720689360 /nfs/dbraw/zinc/68/93/60/720689360.db2.gz WWEHCPXKNSRRJW-YMAMQOFZSA-N 2 1 336.867 2.530 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616506 720950455 /nfs/dbraw/zinc/95/04/55/720950455.db2.gz DFMADDGKCYNWMJ-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959888 /nfs/dbraw/zinc/95/98/88/720959888.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959890 /nfs/dbraw/zinc/95/98/90/720959890.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959892 /nfs/dbraw/zinc/95/98/92/720959892.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541838 720983416 /nfs/dbraw/zinc/98/34/16/720983416.db2.gz FWJXYCMYQADALA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541838 720983420 /nfs/dbraw/zinc/98/34/20/720983420.db2.gz FWJXYCMYQADALA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541838 720983426 /nfs/dbraw/zinc/98/34/26/720983426.db2.gz FWJXYCMYQADALA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541837 720983903 /nfs/dbraw/zinc/98/39/03/720983903.db2.gz FWJXYCMYQADALA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541837 720983906 /nfs/dbraw/zinc/98/39/06/720983906.db2.gz FWJXYCMYQADALA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541837 720983908 /nfs/dbraw/zinc/98/39/08/720983908.db2.gz FWJXYCMYQADALA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639797 721040405 /nfs/dbraw/zinc/04/04/05/721040405.db2.gz ADRFHVYFSUDCHP-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982639797 721040410 /nfs/dbraw/zinc/04/04/10/721040410.db2.gz ADRFHVYFSUDCHP-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982639797 721040413 /nfs/dbraw/zinc/04/04/13/721040413.db2.gz ADRFHVYFSUDCHP-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600069 721199005 /nfs/dbraw/zinc/19/90/05/721199005.db2.gz GECKAVXCYGYKDA-FUHWJXTLSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600069 721199001 /nfs/dbraw/zinc/19/90/01/721199001.db2.gz GECKAVXCYGYKDA-FUHWJXTLSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600069 721199008 /nfs/dbraw/zinc/19/90/08/721199008.db2.gz GECKAVXCYGYKDA-FUHWJXTLSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650313 721240079 /nfs/dbraw/zinc/24/00/79/721240079.db2.gz IPXOMKIQRZMMIR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650313 721240082 /nfs/dbraw/zinc/24/00/82/721240082.db2.gz IPXOMKIQRZMMIR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650313 721240087 /nfs/dbraw/zinc/24/00/87/721240087.db2.gz IPXOMKIQRZMMIR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974828534 721462882 /nfs/dbraw/zinc/46/28/82/721462882.db2.gz PIXUGLZQMFLVPH-QGZVFWFLSA-N 2 1 326.444 2.741 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863554 722913093 /nfs/dbraw/zinc/91/30/93/722913093.db2.gz IEXMHQPISIHYBW-CTNGQTDRSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863554 722913094 /nfs/dbraw/zinc/91/30/94/722913094.db2.gz IEXMHQPISIHYBW-CTNGQTDRSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863554 722913095 /nfs/dbraw/zinc/91/30/95/722913095.db2.gz IEXMHQPISIHYBW-CTNGQTDRSA-N 2 1 325.500 2.899 20 30 EFEDMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263014613 724849605 /nfs/dbraw/zinc/84/96/05/724849605.db2.gz ZENYENVCXYBUHO-INIZCTEOSA-N 2 1 330.476 2.537 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142230 725558447 /nfs/dbraw/zinc/55/84/47/725558447.db2.gz YSBKUXIRMAJHGO-NBOOPKSLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142230 725558449 /nfs/dbraw/zinc/55/84/49/725558449.db2.gz YSBKUXIRMAJHGO-NBOOPKSLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142230 725558450 /nfs/dbraw/zinc/55/84/50/725558450.db2.gz YSBKUXIRMAJHGO-NBOOPKSLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142230 725558451 /nfs/dbraw/zinc/55/84/51/725558451.db2.gz YSBKUXIRMAJHGO-NBOOPKSLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992153276 725566456 /nfs/dbraw/zinc/56/64/56/725566456.db2.gz UVAYDWDPQKLMHZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992153276 725566459 /nfs/dbraw/zinc/56/64/59/725566459.db2.gz UVAYDWDPQKLMHZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992153276 725566462 /nfs/dbraw/zinc/56/64/62/725566462.db2.gz UVAYDWDPQKLMHZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276871 725666183 /nfs/dbraw/zinc/66/61/83/725666183.db2.gz BQULCIAQJKUUJS-AEFFLSMTSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276871 725666184 /nfs/dbraw/zinc/66/61/84/725666184.db2.gz BQULCIAQJKUUJS-AEFFLSMTSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364483 725747502 /nfs/dbraw/zinc/74/75/02/725747502.db2.gz ARXOZBQOWKVVAM-QUCCMNQESA-N 2 1 333.520 2.796 20 30 EFEDMP CCNC(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)=[NH+]CC ZINC000058193456 726145354 /nfs/dbraw/zinc/14/53/54/726145354.db2.gz VNJPZCAJUSCFOF-GOSISDBHSA-N 2 1 332.492 2.797 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993703153 727500123 /nfs/dbraw/zinc/50/01/23/727500123.db2.gz LCGUMNBMMQHTJF-DOTOQJQBSA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993703153 727500124 /nfs/dbraw/zinc/50/01/24/727500124.db2.gz LCGUMNBMMQHTJF-DOTOQJQBSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993804548 727526496 /nfs/dbraw/zinc/52/64/96/727526496.db2.gz LCOZKFJLICEJMP-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811545 727527925 /nfs/dbraw/zinc/52/79/25/727527925.db2.gz ZJYFEYZCGJRWDF-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993825292 727531577 /nfs/dbraw/zinc/53/15/77/727531577.db2.gz NHZGJMZEUGXHDI-LPHOPBHVSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201929 727622093 /nfs/dbraw/zinc/62/20/93/727622093.db2.gz INOVZAWVTILCSZ-APWZRJJASA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC[N@@H+]1C ZINC000916410623 727681976 /nfs/dbraw/zinc/68/19/76/727681976.db2.gz XDOQSBOOPYUYMM-INIZCTEOSA-N 2 1 349.548 2.679 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H](C)C1 ZINC000942179516 728351443 /nfs/dbraw/zinc/35/14/43/728351443.db2.gz BHFTUECDFHVXLX-NVXWUHKLSA-N 2 1 332.492 2.719 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942204369 728364754 /nfs/dbraw/zinc/36/47/54/728364754.db2.gz NTBFEWXWXMFOPE-SJCJKPOMSA-N 2 1 346.862 2.835 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942204369 728364755 /nfs/dbraw/zinc/36/47/55/728364755.db2.gz NTBFEWXWXMFOPE-SJCJKPOMSA-N 2 1 346.862 2.835 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205689 728366034 /nfs/dbraw/zinc/36/60/34/728366034.db2.gz VQLVWXJAVRFECW-RDTXWAMCSA-N 2 1 326.444 2.659 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205687 728366181 /nfs/dbraw/zinc/36/61/81/728366181.db2.gz VQLVWXJAVRFECW-KDOFPFPSSA-N 2 1 326.444 2.659 20 30 EFEDMP CN(C)C(=[NH+]C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)N(C)C ZINC000183891124 728383497 /nfs/dbraw/zinc/38/34/97/728383497.db2.gz TWOFVPYILROTOX-AWEZNQCLSA-N 2 1 330.398 2.787 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829071 728528541 /nfs/dbraw/zinc/52/85/41/728528541.db2.gz CQMSKVGSGGNQHK-OALUTQOASA-N 2 1 333.520 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829072 728528655 /nfs/dbraw/zinc/52/86/55/728528655.db2.gz CQMSKVGSGGNQHK-RBUKOAKNSA-N 2 1 333.520 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898634 728639234 /nfs/dbraw/zinc/63/92/34/728639234.db2.gz KMVDHTJTYDULMO-VQTJNVASSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898634 728639237 /nfs/dbraw/zinc/63/92/37/728639237.db2.gz KMVDHTJTYDULMO-VQTJNVASSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898634 728639240 /nfs/dbraw/zinc/63/92/40/728639240.db2.gz KMVDHTJTYDULMO-VQTJNVASSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570476983 1086264789 /nfs/dbraw/zinc/26/47/89/1086264789.db2.gz NIICHSALRPUZIS-RTBURBONSA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570476983 1086264796 /nfs/dbraw/zinc/26/47/96/1086264796.db2.gz NIICHSALRPUZIS-RTBURBONSA-N 2 1 329.488 2.618 20 30 EFEDMP C#CCCCCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574545755 1088022581 /nfs/dbraw/zinc/02/25/81/1088022581.db2.gz VHIYMFDGWCOZQL-SFHVURJKSA-N 2 1 343.519 2.582 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1C#N ZINC001578875645 1090461105 /nfs/dbraw/zinc/46/11/05/1090461105.db2.gz SYCOVZAFUIFASU-SFHVURJKSA-N 2 1 341.455 2.555 20 30 EFEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580078385 1090765829 /nfs/dbraw/zinc/76/58/29/1090765829.db2.gz WMFPRMDCEOOFAA-JKSUJKDBSA-N 2 1 328.416 2.678 20 30 EFEDMP N#Cc1ccnc(C[NH+]2CCC3(CC2)C[C@H]([NH3+])c2ccccc2O3)c1 ZINC001580080684 1090767102 /nfs/dbraw/zinc/76/71/02/1090767102.db2.gz BKYAWPCZACPMIT-SFHVURJKSA-N 2 1 334.423 2.770 20 30 EFEDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001580334870 1090867259 /nfs/dbraw/zinc/86/72/59/1090867259.db2.gz AOHREVLEUHOTAB-RDJZCZTQSA-N 2 1 338.373 2.998 20 30 EFEDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001580334870 1090867263 /nfs/dbraw/zinc/86/72/63/1090867263.db2.gz AOHREVLEUHOTAB-RDJZCZTQSA-N 2 1 338.373 2.998 20 30 EFEDMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267151447 1092926272 /nfs/dbraw/zinc/92/62/72/1092926272.db2.gz QOPUXPGMCAOUSQ-INIZCTEOSA-N 2 1 349.906 2.518 20 30 EFEDMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267152023 1092929082 /nfs/dbraw/zinc/92/90/82/1092929082.db2.gz HFXIRHGEWXKINF-INIZCTEOSA-N 2 1 349.906 2.518 20 30 EFEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588489213 1092951382 /nfs/dbraw/zinc/95/13/82/1092951382.db2.gz XWYNKQZTSBGBHN-UHFFFAOYSA-N 2 1 340.475 2.633 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230048 /nfs/dbraw/zinc/23/00/48/1093230048.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230053 /nfs/dbraw/zinc/23/00/53/1093230053.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230061 /nfs/dbraw/zinc/23/00/61/1093230061.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230303 /nfs/dbraw/zinc/23/03/03/1093230303.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230308 /nfs/dbraw/zinc/23/03/08/1093230308.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230315 /nfs/dbraw/zinc/23/03/15/1093230315.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458761 1093233105 /nfs/dbraw/zinc/23/31/05/1093233105.db2.gz PEZVJEXEEKZXSJ-ICSRJNTNSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461669 1093327724 /nfs/dbraw/zinc/32/77/24/1093327724.db2.gz NUXVQSRKUURVMA-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461669 1093327732 /nfs/dbraw/zinc/32/77/32/1093327732.db2.gz NUXVQSRKUURVMA-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461669 1093327738 /nfs/dbraw/zinc/32/77/38/1093327738.db2.gz NUXVQSRKUURVMA-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH]ccc-2n1 ZINC001087293156 1095023933 /nfs/dbraw/zinc/02/39/33/1095023933.db2.gz ZGEFLMKLIKDHRE-FHLIZLRMSA-N 2 1 338.455 2.968 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301453 1095133537 /nfs/dbraw/zinc/13/35/37/1095133537.db2.gz CLXTYVOPICUUEX-SQNIBIBYSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304256 1095170785 /nfs/dbraw/zinc/17/07/85/1095170785.db2.gz ZQWDIMXZGRAADC-BHIYHBOVSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304256 1095170792 /nfs/dbraw/zinc/17/07/92/1095170792.db2.gz ZQWDIMXZGRAADC-BHIYHBOVSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304257 1095171534 /nfs/dbraw/zinc/17/15/34/1095171534.db2.gz ZQWDIMXZGRAADC-NEWSRXKRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304257 1095171543 /nfs/dbraw/zinc/17/15/43/1095171543.db2.gz ZQWDIMXZGRAADC-NEWSRXKRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306279 1095192115 /nfs/dbraw/zinc/19/21/15/1095192115.db2.gz GWVXAZAXRYUFLZ-QRQLOZEOSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307118 1095198124 /nfs/dbraw/zinc/19/81/24/1095198124.db2.gz UICOPCYIGXLROI-RLLQIKCJSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087315061 1095285600 /nfs/dbraw/zinc/28/56/00/1095285600.db2.gz VTZPSXQRXFFVGD-KZNAEPCWSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930273 1095636693 /nfs/dbraw/zinc/63/66/93/1095636693.db2.gz IVJKIVRGRZUTJZ-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930273 1095636705 /nfs/dbraw/zinc/63/67/05/1095636705.db2.gz IVJKIVRGRZUTJZ-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694148 1095651425 /nfs/dbraw/zinc/65/14/25/1095651425.db2.gz DNGXHKMVWNWJPR-GOSISDBHSA-N 2 1 333.520 2.540 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001114956028 1095664155 /nfs/dbraw/zinc/66/41/55/1095664155.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 1 332.492 2.605 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001114956028 1095664162 /nfs/dbraw/zinc/66/41/62/1095664162.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 1 332.492 2.605 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981965042 1095854605 /nfs/dbraw/zinc/85/46/05/1095854605.db2.gz SHLNPWLTRJHQRF-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981965042 1095854624 /nfs/dbraw/zinc/85/46/24/1095854624.db2.gz SHLNPWLTRJHQRF-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981965042 1095854643 /nfs/dbraw/zinc/85/46/43/1095854643.db2.gz SHLNPWLTRJHQRF-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067797 1099555262 /nfs/dbraw/zinc/55/52/62/1099555262.db2.gz VVJWSJDXRJMXIZ-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793848 1100043147 /nfs/dbraw/zinc/04/31/47/1100043147.db2.gz URLLCGKTDIDDOK-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793848 1100043153 /nfs/dbraw/zinc/04/31/53/1100043153.db2.gz URLLCGKTDIDDOK-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793848 1100043162 /nfs/dbraw/zinc/04/31/62/1100043162.db2.gz URLLCGKTDIDDOK-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395608 1100555680 /nfs/dbraw/zinc/55/56/80/1100555680.db2.gz BIBSUNKEFKXBSC-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590703 1100566333 /nfs/dbraw/zinc/56/63/33/1100566333.db2.gz SVNZSMUVAQZXAN-JKSUJKDBSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590703 1100566341 /nfs/dbraw/zinc/56/63/41/1100566341.db2.gz SVNZSMUVAQZXAN-JKSUJKDBSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396210 1100582297 /nfs/dbraw/zinc/58/22/97/1100582297.db2.gz JMLPBOKEXQBOJB-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396768 1100593606 /nfs/dbraw/zinc/59/36/06/1100593606.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396768 1100593609 /nfs/dbraw/zinc/59/36/09/1100593609.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396768 1100593610 /nfs/dbraw/zinc/59/36/10/1100593610.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671872 1100652773 /nfs/dbraw/zinc/65/27/73/1100652773.db2.gz UJVZWYILFACFLL-OTWHNJEPSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2CC)CC1 ZINC001087840163 1100852443 /nfs/dbraw/zinc/85/24/43/1100852443.db2.gz KLXHYNSBRSXIDF-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966822 1101096142 /nfs/dbraw/zinc/09/61/42/1101096142.db2.gz XAIBDCWIVXMMHD-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982708 1101119264 /nfs/dbraw/zinc/11/92/64/1101119264.db2.gz UMDUZTVLYXAIFY-WBVHZDCISA-N 2 1 347.528 2.780 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986247 1101149395 /nfs/dbraw/zinc/14/93/95/1101149395.db2.gz CETYSECRUQGBLN-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986247 1101149397 /nfs/dbraw/zinc/14/93/97/1101149397.db2.gz CETYSECRUQGBLN-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986247 1101149402 /nfs/dbraw/zinc/14/94/02/1101149402.db2.gz CETYSECRUQGBLN-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377854 1101312173 /nfs/dbraw/zinc/31/21/73/1101312173.db2.gz YZQRXZONNBDSHW-UHFFFAOYSA-N 2 1 332.492 2.849 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001104306187 1101514982 /nfs/dbraw/zinc/51/49/82/1101514982.db2.gz PLYVYULFCRTZAX-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001104306187 1101514991 /nfs/dbraw/zinc/51/49/91/1101514991.db2.gz PLYVYULFCRTZAX-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623447 /nfs/dbraw/zinc/62/34/47/1101623447.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623452 /nfs/dbraw/zinc/62/34/52/1101623452.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623456 /nfs/dbraw/zinc/62/34/56/1101623456.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088158115 1101713116 /nfs/dbraw/zinc/71/31/16/1101713116.db2.gz XVLBIFHOINFCOS-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166893 1101730032 /nfs/dbraw/zinc/73/00/32/1101730032.db2.gz XGOKNLBXMFQUIT-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166893 1101730043 /nfs/dbraw/zinc/73/00/43/1101730043.db2.gz XGOKNLBXMFQUIT-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166893 1101730056 /nfs/dbraw/zinc/73/00/56/1101730056.db2.gz XGOKNLBXMFQUIT-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437979 1101737459 /nfs/dbraw/zinc/73/74/59/1101737459.db2.gz LCYBYJOGGXCNCY-CVEARBPZSA-N 2 1 339.911 2.632 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088210893 1101883223 /nfs/dbraw/zinc/88/32/23/1101883223.db2.gz GXKWDBGTZVPUDT-MJGOQNOKSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212603 1101888243 /nfs/dbraw/zinc/88/82/43/1101888243.db2.gz CDAKGPCRWOBSJB-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232729 1102098515 /nfs/dbraw/zinc/09/85/15/1102098515.db2.gz OGSWYQNYWSUAPU-LJQANCHMSA-N 2 1 339.499 2.651 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104369864 1102339848 /nfs/dbraw/zinc/33/98/48/1102339848.db2.gz ILHWTEMACXLVFA-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311852 1102842314 /nfs/dbraw/zinc/84/23/14/1102842314.db2.gz IKOXEJJUKFMQLD-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001088316407 1102870485 /nfs/dbraw/zinc/87/04/85/1102870485.db2.gz ZHPPBNBUEUGBDN-DLBZAZTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001088316410 1102871741 /nfs/dbraw/zinc/87/17/41/1102871741.db2.gz ZHPPBNBUEUGBDN-SJORKVTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336347 1102995534 /nfs/dbraw/zinc/99/55/34/1102995534.db2.gz BNRBEAOWLVZWRN-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001088347767 1103078223 /nfs/dbraw/zinc/07/82/23/1103078223.db2.gz BOEITNADTXVQIC-KRWDZBQOSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001088347768 1103078442 /nfs/dbraw/zinc/07/84/42/1103078442.db2.gz BOEITNADTXVQIC-QGZVFWFLSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088369954 1103202292 /nfs/dbraw/zinc/20/22/92/1103202292.db2.gz WXKHGVFOOQVDBE-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001088390562 1103381043 /nfs/dbraw/zinc/38/10/43/1103381043.db2.gz PVJGACVHQYOZKH-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088411442 1103484251 /nfs/dbraw/zinc/48/42/51/1103484251.db2.gz HDSRYQYEQQBTCH-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001665463145 1104699051 /nfs/dbraw/zinc/69/90/51/1104699051.db2.gz UCYGBEKHVWOLOB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001665463145 1104699058 /nfs/dbraw/zinc/69/90/58/1104699058.db2.gz UCYGBEKHVWOLOB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665463145 1104699067 /nfs/dbraw/zinc/69/90/67/1104699067.db2.gz UCYGBEKHVWOLOB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517382 1105863275 /nfs/dbraw/zinc/86/32/75/1105863275.db2.gz BCPVXCZFYOPJFC-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549422 1105920031 /nfs/dbraw/zinc/92/00/31/1105920031.db2.gz KRIGLQXCMWYUGM-SFHVURJKSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549446 1105920504 /nfs/dbraw/zinc/92/05/04/1105920504.db2.gz LHJPQKMULXIJGI-QGZVFWFLSA-N 2 1 330.476 2.519 20 30 EFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563164 1105942022 /nfs/dbraw/zinc/94/20/22/1105942022.db2.gz GADLRHLQDUMRRJ-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575278 1105962536 /nfs/dbraw/zinc/96/25/36/1105962536.db2.gz XDGBAUPTBFGSHO-LJQANCHMSA-N 2 1 347.547 2.883 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576551 1105964392 /nfs/dbraw/zinc/96/43/92/1105964392.db2.gz HFJOZZWOAUSBSI-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237161 1106069229 /nfs/dbraw/zinc/06/92/29/1106069229.db2.gz RKZRFHQFCCQYLO-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513390 1106396470 /nfs/dbraw/zinc/39/64/70/1106396470.db2.gz CZMJKOSTZYKELJ-LSDHHAIUSA-N 2 1 338.883 2.728 20 30 EFEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033415 1106521796 /nfs/dbraw/zinc/52/17/96/1106521796.db2.gz AXGZQSGROKPZMD-NVXWUHKLSA-N 2 1 344.503 2.925 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738542 1106616254 /nfs/dbraw/zinc/61/62/54/1106616254.db2.gz FLOLKCUSAAWILK-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168318790 1106645864 /nfs/dbraw/zinc/64/58/64/1106645864.db2.gz GNWXPVYQXYKGIP-QLOJAFMTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775258 1106646667 /nfs/dbraw/zinc/64/66/67/1106646667.db2.gz UABHEVHBLHBIBX-UHFFFAOYSA-N 2 1 333.476 2.845 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015072 1106876342 /nfs/dbraw/zinc/87/63/42/1106876342.db2.gz BSQDDHIQLPAHTN-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015072 1106876356 /nfs/dbraw/zinc/87/63/56/1106876356.db2.gz BSQDDHIQLPAHTN-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015072 1106876372 /nfs/dbraw/zinc/87/63/72/1106876372.db2.gz BSQDDHIQLPAHTN-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991022715 1107090338 /nfs/dbraw/zinc/09/03/38/1107090338.db2.gz VYYCNYAAUBAPCC-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991022715 1107090353 /nfs/dbraw/zinc/09/03/53/1107090353.db2.gz VYYCNYAAUBAPCC-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991022715 1107090369 /nfs/dbraw/zinc/09/03/69/1107090369.db2.gz VYYCNYAAUBAPCC-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040249939 1107648057 /nfs/dbraw/zinc/64/80/57/1107648057.db2.gz GKQQMADULMFBGG-ICSRJNTNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220625 /nfs/dbraw/zinc/22/06/25/1108220625.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220634 /nfs/dbraw/zinc/22/06/34/1108220634.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220648 /nfs/dbraw/zinc/22/06/48/1108220648.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040279897 1108675142 /nfs/dbraw/zinc/67/51/42/1108675142.db2.gz BBCZFNBYKZEPBO-HXUWFJFHSA-N 2 1 345.531 2.896 20 30 EFEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000924722985 1108869632 /nfs/dbraw/zinc/86/96/32/1108869632.db2.gz PULOPRULXSKOBV-KRWDZBQOSA-N 2 1 328.504 2.852 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811901 1109099191 /nfs/dbraw/zinc/09/91/91/1109099191.db2.gz BHSVXKTYHMXCGX-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811901 1109099195 /nfs/dbraw/zinc/09/91/95/1109099195.db2.gz BHSVXKTYHMXCGX-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762039 1109220734 /nfs/dbraw/zinc/22/07/34/1109220734.db2.gz LEILGAPGUNJIFL-BVIKNXMNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762039 1109220738 /nfs/dbraw/zinc/22/07/38/1109220738.db2.gz LEILGAPGUNJIFL-BVIKNXMNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762039 1109220743 /nfs/dbraw/zinc/22/07/43/1109220743.db2.gz LEILGAPGUNJIFL-BVIKNXMNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762039 1109220746 /nfs/dbraw/zinc/22/07/46/1109220746.db2.gz LEILGAPGUNJIFL-BVIKNXMNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766537 1109231366 /nfs/dbraw/zinc/23/13/66/1109231366.db2.gz VXOCLRVFLYTHON-XFKSJGNHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766537 1109231369 /nfs/dbraw/zinc/23/13/69/1109231369.db2.gz VXOCLRVFLYTHON-XFKSJGNHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766537 1109231371 /nfs/dbraw/zinc/23/13/71/1109231371.db2.gz VXOCLRVFLYTHON-XFKSJGNHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329923 1109296101 /nfs/dbraw/zinc/29/61/01/1109296101.db2.gz XVMYMNBIRLAMNP-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244398 1109727705 /nfs/dbraw/zinc/72/77/05/1109727705.db2.gz QZNNGUINVKUYDU-VQTJNVASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168462773 1111077791 /nfs/dbraw/zinc/07/77/91/1111077791.db2.gz FJUAIRQOKSGTFU-UHFFFAOYSA-N 2 1 343.515 2.961 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168462773 1111077794 /nfs/dbraw/zinc/07/77/94/1111077794.db2.gz FJUAIRQOKSGTFU-UHFFFAOYSA-N 2 1 343.515 2.961 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168462614 1111077913 /nfs/dbraw/zinc/07/79/13/1111077913.db2.gz CMAUSYYZARYANV-UHFFFAOYSA-N 2 1 349.906 2.747 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168462614 1111077917 /nfs/dbraw/zinc/07/79/17/1111077917.db2.gz CMAUSYYZARYANV-UHFFFAOYSA-N 2 1 349.906 2.747 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249802 1111218626 /nfs/dbraw/zinc/21/86/26/1111218626.db2.gz QNSGQTXTPUFFFR-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCCC)[C@H](C)C1 ZINC001106266293 1111260249 /nfs/dbraw/zinc/26/02/49/1111260249.db2.gz APPPGLIJTHDLAO-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCCC)[C@H](C)C1 ZINC001106266293 1111260253 /nfs/dbraw/zinc/26/02/53/1111260253.db2.gz APPPGLIJTHDLAO-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321771 1111410338 /nfs/dbraw/zinc/41/03/38/1111410338.db2.gz DTBGARGNHCBDDV-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239542 1111670535 /nfs/dbraw/zinc/67/05/35/1111670535.db2.gz GRCQZYVFXILXDT-QGZVFWFLSA-N 2 1 335.536 2.594 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239542 1111670533 /nfs/dbraw/zinc/67/05/33/1111670533.db2.gz GRCQZYVFXILXDT-QGZVFWFLSA-N 2 1 335.536 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239542 1111670536 /nfs/dbraw/zinc/67/05/36/1111670536.db2.gz GRCQZYVFXILXDT-QGZVFWFLSA-N 2 1 335.536 2.594 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666756 1111709387 /nfs/dbraw/zinc/70/93/87/1111709387.db2.gz TVTKBXQFYRRDJW-IPMKNSEASA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667937 1111711722 /nfs/dbraw/zinc/71/17/22/1111711722.db2.gz CYZBSDMLYOUWRA-FGTMMUONSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715867 1111746932 /nfs/dbraw/zinc/74/69/32/1111746932.db2.gz NGZMUDMYYGGXEX-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730555 1111775467 /nfs/dbraw/zinc/77/54/67/1111775467.db2.gz FAQGZEPJYGPOCD-DJIMGWMZSA-N 2 1 341.927 2.686 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874749 1111944257 /nfs/dbraw/zinc/94/42/57/1111944257.db2.gz RRXVDBDIEXSNRR-CEXWTWQISA-N 2 1 337.552 2.983 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874750 1111944423 /nfs/dbraw/zinc/94/44/23/1111944423.db2.gz RRXVDBDIEXSNRR-GUDVDZBRSA-N 2 1 337.552 2.983 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385805 1112048852 /nfs/dbraw/zinc/04/88/52/1112048852.db2.gz JTNUNTBJGAMHJY-GOSISDBHSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386300 1112049487 /nfs/dbraw/zinc/04/94/87/1112049487.db2.gz OHKOKHJPEXABHN-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386067 1112049575 /nfs/dbraw/zinc/04/95/75/1112049575.db2.gz MKPVWUNSFWZNKJ-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388428 1112052862 /nfs/dbraw/zinc/05/28/62/1112052862.db2.gz CBBNKBPTCCHAAG-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388428 1112052864 /nfs/dbraw/zinc/05/28/64/1112052864.db2.gz CBBNKBPTCCHAAG-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388428 1112052869 /nfs/dbraw/zinc/05/28/69/1112052869.db2.gz CBBNKBPTCCHAAG-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406189 1112076669 /nfs/dbraw/zinc/07/66/69/1112076669.db2.gz IJNQEOKOORLXAM-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406189 1112076672 /nfs/dbraw/zinc/07/66/72/1112076672.db2.gz IJNQEOKOORLXAM-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089406189 1112076677 /nfs/dbraw/zinc/07/66/77/1112076677.db2.gz IJNQEOKOORLXAM-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406590 1112077960 /nfs/dbraw/zinc/07/79/60/1112077960.db2.gz NXXBBWAYTFXTTP-IEBWSBKVSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406590 1112077964 /nfs/dbraw/zinc/07/79/64/1112077964.db2.gz NXXBBWAYTFXTTP-IEBWSBKVSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406590 1112077968 /nfs/dbraw/zinc/07/79/68/1112077968.db2.gz NXXBBWAYTFXTTP-IEBWSBKVSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406953 1112078947 /nfs/dbraw/zinc/07/89/47/1112078947.db2.gz UITOQVSMWUHDMJ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406953 1112078951 /nfs/dbraw/zinc/07/89/51/1112078951.db2.gz UITOQVSMWUHDMJ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415762 1112092089 /nfs/dbraw/zinc/09/20/89/1112092089.db2.gz CIPUWXDLVIJIEP-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421872 1112102850 /nfs/dbraw/zinc/10/28/50/1112102850.db2.gz YYKFNQSGDXDWEB-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421872 1112102853 /nfs/dbraw/zinc/10/28/53/1112102853.db2.gz YYKFNQSGDXDWEB-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421872 1112102856 /nfs/dbraw/zinc/10/28/56/1112102856.db2.gz YYKFNQSGDXDWEB-JKSUJKDBSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423355 1112107495 /nfs/dbraw/zinc/10/74/95/1112107495.db2.gz ILILBRUQIYKFRA-IAGOWNOFSA-N 2 1 344.503 2.628 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430126 1112120924 /nfs/dbraw/zinc/12/09/24/1112120924.db2.gz IFXBXEKNESVTHZ-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430461 1112121929 /nfs/dbraw/zinc/12/19/29/1112121929.db2.gz NCZVFHYDOSNCBX-MRXNPFEDSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nccn32)CC(C)(C)C1 ZINC001089440884 1112149705 /nfs/dbraw/zinc/14/97/05/1112149705.db2.gz CUPIQRYJHZRHRM-HNNXBMFYSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445620 1112157969 /nfs/dbraw/zinc/15/79/69/1112157969.db2.gz KPUYANRGJPALRA-MSOLQXFVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472724 1112194201 /nfs/dbraw/zinc/19/42/01/1112194201.db2.gz NWDYYSHSTXLHRL-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472724 1112194204 /nfs/dbraw/zinc/19/42/04/1112194204.db2.gz NWDYYSHSTXLHRL-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472724 1112194206 /nfs/dbraw/zinc/19/42/06/1112194206.db2.gz NWDYYSHSTXLHRL-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477032 1112204535 /nfs/dbraw/zinc/20/45/35/1112204535.db2.gz JVLBWMMBCQGTOF-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477032 1112204532 /nfs/dbraw/zinc/20/45/32/1112204532.db2.gz JVLBWMMBCQGTOF-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477032 1112204538 /nfs/dbraw/zinc/20/45/38/1112204538.db2.gz JVLBWMMBCQGTOF-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483696 1112216047 /nfs/dbraw/zinc/21/60/47/1112216047.db2.gz MQTPEQHWCIGCEJ-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089520192 1112266731 /nfs/dbraw/zinc/26/67/31/1112266731.db2.gz SGEUKRPZSLMHLL-LJQANCHMSA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527254 1112270795 /nfs/dbraw/zinc/27/07/95/1112270795.db2.gz LQLJVQVEEFXBTQ-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537447 1112276842 /nfs/dbraw/zinc/27/68/42/1112276842.db2.gz MKEDUDBNBSPKQO-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537447 1112276846 /nfs/dbraw/zinc/27/68/46/1112276846.db2.gz MKEDUDBNBSPKQO-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537447 1112276849 /nfs/dbraw/zinc/27/68/49/1112276849.db2.gz MKEDUDBNBSPKQO-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561128 1112309825 /nfs/dbraw/zinc/30/98/25/1112309825.db2.gz MKXPIJTUORQEMM-LJQANCHMSA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641783 1112434705 /nfs/dbraw/zinc/43/47/05/1112434705.db2.gz SPFVDUOZZFMXEF-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649138 1112464247 /nfs/dbraw/zinc/46/42/47/1112464247.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649138 1112464249 /nfs/dbraw/zinc/46/42/49/1112464249.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649138 1112464252 /nfs/dbraw/zinc/46/42/52/1112464252.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001484941857 1117867139 /nfs/dbraw/zinc/86/71/39/1117867139.db2.gz LHMAKDSCFWPULW-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001484941857 1117867148 /nfs/dbraw/zinc/86/71/48/1117867148.db2.gz LHMAKDSCFWPULW-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001484941857 1117867155 /nfs/dbraw/zinc/86/71/55/1117867155.db2.gz LHMAKDSCFWPULW-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001484941857 1117867161 /nfs/dbraw/zinc/86/71/61/1117867161.db2.gz LHMAKDSCFWPULW-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820459 1117879686 /nfs/dbraw/zinc/87/96/86/1117879686.db2.gz MRAMZYJSNPGDDG-VJANTYMQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001089821638 1117924010 /nfs/dbraw/zinc/92/40/10/1117924010.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089821638 1117924013 /nfs/dbraw/zinc/92/40/13/1117924013.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089821638 1117924015 /nfs/dbraw/zinc/92/40/15/1117924015.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 2 1 345.531 2.606 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040911977 1118034780 /nfs/dbraw/zinc/03/47/80/1118034780.db2.gz JUKAKGGBAKZELE-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581436 1118989279 /nfs/dbraw/zinc/98/92/79/1118989279.db2.gz GQUCUGYJQXMETL-WBVHZDCISA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272717135 1118993438 /nfs/dbraw/zinc/99/34/38/1118993438.db2.gz POWIICKAMOXMDY-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986231 1119049159 /nfs/dbraw/zinc/04/91/59/1119049159.db2.gz GHXXTOHEUPXYJV-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519953 1119534582 /nfs/dbraw/zinc/53/45/82/1119534582.db2.gz ZYGPRUHEUFKFQZ-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944044864 1119890800 /nfs/dbraw/zinc/89/08/00/1119890800.db2.gz AWKKKVLCUVRXCO-APWZRJJASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046703 1119892781 /nfs/dbraw/zinc/89/27/81/1119892781.db2.gz KKMHFUBLFCANAF-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047091 1119894238 /nfs/dbraw/zinc/89/42/38/1119894238.db2.gz NTCOTYWIPJGIAI-XLIONFOSSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039488 1120078298 /nfs/dbraw/zinc/07/82/98/1120078298.db2.gz UJJQQNRIGCDWEV-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@H](C)C3)CC2)oc1C ZINC000262516786 240359635 /nfs/dbraw/zinc/35/96/35/240359635.db2.gz GSHJWUDGQJLUGX-AWEZNQCLSA-N 2 1 347.507 2.550 20 30 EFEDMP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262748337 240368173 /nfs/dbraw/zinc/36/81/73/240368173.db2.gz GGFVIZAZMZWIAX-VQIMIIECSA-N 2 1 337.471 2.582 20 30 EFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718485 216298677 /nfs/dbraw/zinc/29/86/77/216298677.db2.gz AIFLZBDYJABBPE-KRWDZBQOSA-N 2 1 340.471 2.695 20 30 EFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319262 /nfs/dbraw/zinc/31/92/62/216319262.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319263 /nfs/dbraw/zinc/31/92/63/216319263.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319265 /nfs/dbraw/zinc/31/92/65/216319265.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccn1 ZINC000170911502 239135245 /nfs/dbraw/zinc/13/52/45/239135245.db2.gz SSUFPQOJQJJLIC-CQSZACIVSA-N 2 1 329.473 2.782 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247352987 240280011 /nfs/dbraw/zinc/28/00/11/240280011.db2.gz PKROFRNFRDFDJJ-YTQUADARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247352987 240280019 /nfs/dbraw/zinc/28/00/19/240280019.db2.gz PKROFRNFRDFDJJ-YTQUADARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247352987 240280025 /nfs/dbraw/zinc/28/00/25/240280025.db2.gz PKROFRNFRDFDJJ-YTQUADARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247352987 240280031 /nfs/dbraw/zinc/28/00/31/240280031.db2.gz PKROFRNFRDFDJJ-YTQUADARSA-N 2 1 332.488 2.569 20 30 EFEDMP CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261984906 240335498 /nfs/dbraw/zinc/33/54/98/240335498.db2.gz PUGODJCCSRWHHD-MAUKXSAKSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262010021 240339567 /nfs/dbraw/zinc/33/95/67/240339567.db2.gz JHOLTSNGZZUADY-BBRMVZONSA-N 2 1 338.858 2.952 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H]1C ZINC000262025040 240341565 /nfs/dbraw/zinc/34/15/65/240341565.db2.gz ZFJXPDUCUXVMIJ-GJZGRUSLSA-N 2 1 346.475 2.837 20 30 EFEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262016430 240342035 /nfs/dbraw/zinc/34/20/35/240342035.db2.gz XTVILPIYQVIBMO-ZWNOBZJWSA-N 2 1 326.897 2.549 20 30 EFEDMP C=CC[N@H+](CC1CC[NH2+]CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000262035661 240342782 /nfs/dbraw/zinc/34/27/82/240342782.db2.gz XPWWGUHDFBVWLY-IBGZPJMESA-N 2 1 330.472 2.648 20 30 EFEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000262035661 240342789 /nfs/dbraw/zinc/34/27/89/240342789.db2.gz XPWWGUHDFBVWLY-IBGZPJMESA-N 2 1 330.472 2.648 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264064092 240399707 /nfs/dbraw/zinc/39/97/07/240399707.db2.gz QKMATADZALZTLY-MRXNPFEDSA-N 2 1 330.432 2.683 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000297040690 241109359 /nfs/dbraw/zinc/10/93/59/241109359.db2.gz MNLUOBXLDAMIQR-IPQPSQTFSA-N 2 1 348.535 2.609 20 30 EFEDMP C[C@H](CCC#N)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298701056 241156516 /nfs/dbraw/zinc/15/65/16/241156516.db2.gz ZXSYFRBKUKLMED-QUCCMNQESA-N 2 1 326.488 2.571 20 30 EFEDMP C[C@H](CCC#N)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298701056 241156521 /nfs/dbraw/zinc/15/65/21/241156521.db2.gz ZXSYFRBKUKLMED-QUCCMNQESA-N 2 1 326.488 2.571 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329465375 241375900 /nfs/dbraw/zinc/37/59/00/241375900.db2.gz VAMRIAURGSCRIE-CZUORRHYSA-N 2 1 347.507 2.868 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329465375 241375907 /nfs/dbraw/zinc/37/59/07/241375907.db2.gz VAMRIAURGSCRIE-CZUORRHYSA-N 2 1 347.507 2.868 20 30 EFEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357528252 242099486 /nfs/dbraw/zinc/09/94/86/242099486.db2.gz KHAFJXIZYYXAAV-UHFFFAOYSA-N 2 1 341.499 2.726 20 30 EFEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357528252 242099491 /nfs/dbraw/zinc/09/94/91/242099491.db2.gz KHAFJXIZYYXAAV-UHFFFAOYSA-N 2 1 341.499 2.726 20 30 EFEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000414265908 244068707 /nfs/dbraw/zinc/06/87/07/244068707.db2.gz LXWRODRXGXVDES-YSTOQKLRSA-N 2 1 327.472 2.805 20 30 EFEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000414265908 244068711 /nfs/dbraw/zinc/06/87/11/244068711.db2.gz LXWRODRXGXVDES-YSTOQKLRSA-N 2 1 327.472 2.805 20 30 EFEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000414265912 244068842 /nfs/dbraw/zinc/06/88/42/244068842.db2.gz LXWRODRXGXVDES-ZGXWSNOMSA-N 2 1 327.472 2.805 20 30 EFEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000414265912 244068848 /nfs/dbraw/zinc/06/88/48/244068848.db2.gz LXWRODRXGXVDES-ZGXWSNOMSA-N 2 1 327.472 2.805 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735782 244316787 /nfs/dbraw/zinc/31/67/87/244316787.db2.gz GZSTUNKSLGNEAZ-IXDOHACOSA-N 2 1 340.475 2.599 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735784 244317357 /nfs/dbraw/zinc/31/73/57/244317357.db2.gz GZSTUNKSLGNEAZ-YESZJQIVSA-N 2 1 340.475 2.599 20 30 EFEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)nc(C)[nH+]1 ZINC000421337106 245934283 /nfs/dbraw/zinc/93/42/83/245934283.db2.gz BPTACBQJWFJEPH-UHFFFAOYSA-N 2 1 339.418 2.863 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711200 250105579 /nfs/dbraw/zinc/10/55/79/250105579.db2.gz RPTPAWGPWUUQQV-WOJBJXKFSA-N 2 1 326.488 2.606 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711198 250106107 /nfs/dbraw/zinc/10/61/07/250106107.db2.gz RPTPAWGPWUUQQV-VQTJNVASSA-N 2 1 326.488 2.606 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443074344 250158741 /nfs/dbraw/zinc/15/87/41/250158741.db2.gz QPTIGDIUUSYXCR-OAHLLOKOSA-N 2 1 333.501 2.964 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443074344 250158746 /nfs/dbraw/zinc/15/87/46/250158746.db2.gz QPTIGDIUUSYXCR-OAHLLOKOSA-N 2 1 333.501 2.964 20 30 EFEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1F ZINC000344133090 145376430 /nfs/dbraw/zinc/37/64/30/145376430.db2.gz PAXMCSOCLKYMIO-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1F ZINC000344133090 145376432 /nfs/dbraw/zinc/37/64/32/145376432.db2.gz PAXMCSOCLKYMIO-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000360171017 148289967 /nfs/dbraw/zinc/28/99/67/148289967.db2.gz PWHFTBPRDMPMIJ-QGZVFWFLSA-N 2 1 330.451 2.740 20 30 EFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543970 287142018 /nfs/dbraw/zinc/14/20/18/287142018.db2.gz BYJSHJUDQDTWQS-SJORKVTESA-N 2 1 326.488 2.720 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533272255 270035939 /nfs/dbraw/zinc/03/59/39/270035939.db2.gz XJTLBADYVXJXNS-UHFFFAOYSA-N 2 1 342.487 2.939 20 30 EFEDMP CC[NH+]1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000271689834 266042415 /nfs/dbraw/zinc/04/24/15/266042415.db2.gz KELQTTVJAQYSNS-UHFFFAOYSA-N 2 1 328.460 2.717 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789944 266273400 /nfs/dbraw/zinc/27/34/00/266273400.db2.gz UIRVYOGGGSEFAJ-QFBILLFUSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789944 266273403 /nfs/dbraw/zinc/27/34/03/266273403.db2.gz UIRVYOGGGSEFAJ-QFBILLFUSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789935 266273622 /nfs/dbraw/zinc/27/36/22/266273622.db2.gz UIRVYOGGGSEFAJ-APWZRJJASA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789935 266273625 /nfs/dbraw/zinc/27/36/25/266273625.db2.gz UIRVYOGGGSEFAJ-APWZRJJASA-N 2 1 345.487 2.793 20 30 EFEDMP C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766534 267257288 /nfs/dbraw/zinc/25/72/88/267257288.db2.gz MRPBUUQMIZRXDT-INIZCTEOSA-N 2 1 332.879 2.818 20 30 EFEDMP N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](c4ncc[nH]4)C3)C2=O)cc1 ZINC000272573106 268111047 /nfs/dbraw/zinc/11/10/47/268111047.db2.gz VLHVKEPELFJUJN-FUHWJXTLSA-N 2 1 349.438 2.656 20 30 EFEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166014 274146202 /nfs/dbraw/zinc/14/62/02/274146202.db2.gz QDRYWWGSRNJADU-SFHVURJKSA-N 2 1 326.488 2.849 20 30 EFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330243375 276005966 /nfs/dbraw/zinc/00/59/66/276005966.db2.gz WRUVQMYTRJURRB-KZNAEPCWSA-N 2 1 337.508 2.585 20 30 EFEDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878655 277106708 /nfs/dbraw/zinc/10/67/08/277106708.db2.gz UHYXTICZLOMIKH-FQEVSTJZSA-N 2 1 340.515 2.941 20 30 EFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000264063515 279161498 /nfs/dbraw/zinc/16/14/98/279161498.db2.gz AHIAGPYVCCHLRU-CQSZACIVSA-N 2 1 330.398 2.965 20 30 EFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543966 290245632 /nfs/dbraw/zinc/24/56/32/290245632.db2.gz BYJSHJUDQDTWQS-IAGOWNOFSA-N 2 1 326.488 2.720 20 30 EFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568876 473222344 /nfs/dbraw/zinc/22/23/44/473222344.db2.gz IPWMKXJDKCTCMH-MRXNPFEDSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568876 473222345 /nfs/dbraw/zinc/22/23/45/473222345.db2.gz IPWMKXJDKCTCMH-MRXNPFEDSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568876 473222347 /nfs/dbraw/zinc/22/23/47/473222347.db2.gz IPWMKXJDKCTCMH-MRXNPFEDSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571107 473223314 /nfs/dbraw/zinc/22/33/14/473223314.db2.gz WIOGSJSYQUMIMV-QGZVFWFLSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571107 473223315 /nfs/dbraw/zinc/22/33/15/473223315.db2.gz WIOGSJSYQUMIMV-QGZVFWFLSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571107 473223317 /nfs/dbraw/zinc/22/33/17/473223317.db2.gz WIOGSJSYQUMIMV-QGZVFWFLSA-N 2 1 331.460 2.609 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000081571107 473223322 /nfs/dbraw/zinc/22/33/22/473223322.db2.gz WIOGSJSYQUMIMV-QGZVFWFLSA-N 2 1 331.460 2.609 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057581 473297510 /nfs/dbraw/zinc/29/75/10/473297510.db2.gz PKROFRNFRDFDJJ-NEWSRXKRSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057581 473297518 /nfs/dbraw/zinc/29/75/18/473297518.db2.gz PKROFRNFRDFDJJ-NEWSRXKRSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057581 473297524 /nfs/dbraw/zinc/29/75/24/473297524.db2.gz PKROFRNFRDFDJJ-NEWSRXKRSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057581 473297532 /nfs/dbraw/zinc/29/75/32/473297532.db2.gz PKROFRNFRDFDJJ-NEWSRXKRSA-N 2 1 332.488 2.569 20 30 EFEDMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304898 /nfs/dbraw/zinc/30/48/98/473304898.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 1 326.488 2.550 20 30 EFEDMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304907 /nfs/dbraw/zinc/30/49/07/473304907.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 1 326.488 2.550 20 30 EFEDMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304914 /nfs/dbraw/zinc/30/49/14/473304914.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 1 326.488 2.550 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860655 472210076 /nfs/dbraw/zinc/21/00/76/472210076.db2.gz ZJPNMSFPOVLHIW-KRWDZBQOSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860655 472210084 /nfs/dbraw/zinc/21/00/84/472210084.db2.gz ZJPNMSFPOVLHIW-KRWDZBQOSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860655 472210090 /nfs/dbraw/zinc/21/00/90/472210090.db2.gz ZJPNMSFPOVLHIW-KRWDZBQOSA-N 2 1 331.460 2.752 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860655 472210096 /nfs/dbraw/zinc/21/00/96/472210096.db2.gz ZJPNMSFPOVLHIW-KRWDZBQOSA-N 2 1 331.460 2.752 20 30 EFEDMP C#CCNC(=[NH+]CC)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000119471525 472558417 /nfs/dbraw/zinc/55/84/17/472558417.db2.gz JRIXWAFWTBLUSD-VQTJNVASSA-N 2 1 338.499 2.572 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000130383827 472602919 /nfs/dbraw/zinc/60/29/19/472602919.db2.gz WKRIDDSHYYEWDO-SJLPKXTDSA-N 2 1 343.471 2.568 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000104178967 472658940 /nfs/dbraw/zinc/65/89/40/472658940.db2.gz UIPUHJRTLQZMPT-AWEZNQCLSA-N 2 1 348.491 2.941 20 30 EFEDMP C[N@H+](CCC(=O)Nc1ccccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000072725181 472708977 /nfs/dbraw/zinc/70/89/77/472708977.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000072725181 472708981 /nfs/dbraw/zinc/70/89/81/472708981.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)CC[C@H]1CCCC[N@H+]1C ZINC000072725181 472708987 /nfs/dbraw/zinc/70/89/87/472708987.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 2 1 328.460 2.693 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000106290665 472836417 /nfs/dbraw/zinc/83/64/17/472836417.db2.gz WSOKOPKHCQRAHJ-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881133 472981542 /nfs/dbraw/zinc/98/15/42/472981542.db2.gz RFFWDEBWGZIMSI-IEBWSBKVSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881133 472981549 /nfs/dbraw/zinc/98/15/49/472981549.db2.gz RFFWDEBWGZIMSI-IEBWSBKVSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134881133 472981553 /nfs/dbraw/zinc/98/15/53/472981553.db2.gz RFFWDEBWGZIMSI-IEBWSBKVSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134881133 472981558 /nfs/dbraw/zinc/98/15/58/472981558.db2.gz RFFWDEBWGZIMSI-IEBWSBKVSA-N 2 1 325.456 2.886 20 30 EFEDMP C=C(C)C[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000051559885 473055939 /nfs/dbraw/zinc/05/59/39/473055939.db2.gz DPNKHCHUXKJATI-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000051559885 473055942 /nfs/dbraw/zinc/05/59/42/473055942.db2.gz DPNKHCHUXKJATI-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000051559885 473055943 /nfs/dbraw/zinc/05/59/43/473055943.db2.gz DPNKHCHUXKJATI-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000125876492 473467059 /nfs/dbraw/zinc/46/70/59/473467059.db2.gz LTKLHYBAJFLAID-UHFFFAOYSA-N 2 1 340.515 2.618 20 30 EFEDMP C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125955859 473474595 /nfs/dbraw/zinc/47/45/95/473474595.db2.gz ZQQDQBOBEGXOHE-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+](CC)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125955859 473474599 /nfs/dbraw/zinc/47/45/99/473474599.db2.gz ZQQDQBOBEGXOHE-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+](CC)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125955859 473474605 /nfs/dbraw/zinc/47/46/05/473474605.db2.gz ZQQDQBOBEGXOHE-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697092 473491248 /nfs/dbraw/zinc/49/12/48/473491248.db2.gz PHYRUFBBZAGJCJ-BPAFIMBUSA-N 2 1 327.472 2.834 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740587 473502433 /nfs/dbraw/zinc/50/24/33/473502433.db2.gz HUQOCRSNNOZDLM-DOTOQJQBSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740587 473502437 /nfs/dbraw/zinc/50/24/37/473502437.db2.gz HUQOCRSNNOZDLM-DOTOQJQBSA-N 2 1 340.471 2.739 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748408 473504293 /nfs/dbraw/zinc/50/42/93/473504293.db2.gz IXRDKRLNCLQTLS-FGTMMUONSA-N 2 1 333.520 2.818 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748408 473504295 /nfs/dbraw/zinc/50/42/95/473504295.db2.gz IXRDKRLNCLQTLS-FGTMMUONSA-N 2 1 333.520 2.818 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782236 473512585 /nfs/dbraw/zinc/51/25/85/473512585.db2.gz NWNVBBBTDGFPTC-WIYYLYMNSA-N 2 1 340.515 2.996 20 30 EFEDMP COCCC[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126629810 473531768 /nfs/dbraw/zinc/53/17/68/473531768.db2.gz QAJOLLGFHQPCJK-UHFFFAOYSA-N 2 1 327.472 2.701 20 30 EFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NC(C)(C)C)CC2)cs1 ZINC000178572518 473533436 /nfs/dbraw/zinc/53/34/36/473533436.db2.gz XRJCMSGILHBYOJ-UHFFFAOYSA-N 2 1 337.537 2.620 20 30 EFEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000115628399 473588376 /nfs/dbraw/zinc/58/83/76/473588376.db2.gz PGUCODBBIAAXTE-WIYYLYMNSA-N 2 1 344.499 2.925 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188292 473822311 /nfs/dbraw/zinc/82/23/11/473822311.db2.gz GLKOZUYJWRNBOJ-GOSISDBHSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188292 473822317 /nfs/dbraw/zinc/82/23/17/473822317.db2.gz GLKOZUYJWRNBOJ-GOSISDBHSA-N 2 1 349.482 2.876 20 30 EFEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263762031 473836813 /nfs/dbraw/zinc/83/68/13/473836813.db2.gz QUXHJKCQOYNCER-IRXDYDNUSA-N 2 1 327.472 2.879 20 30 EFEDMP C[N@H+](CCCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290682 474047148 /nfs/dbraw/zinc/04/71/48/474047148.db2.gz ZGTLJKXCKHMYLE-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@@H+](CCCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290682 474047155 /nfs/dbraw/zinc/04/71/55/474047155.db2.gz ZGTLJKXCKHMYLE-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CCCC(C)(C)C#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188290682 474047163 /nfs/dbraw/zinc/04/71/63/474047163.db2.gz ZGTLJKXCKHMYLE-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CCCC(C)(C)C#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188290682 474047169 /nfs/dbraw/zinc/04/71/69/474047169.db2.gz ZGTLJKXCKHMYLE-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271893 474138757 /nfs/dbraw/zinc/13/87/57/474138757.db2.gz HWNWJUPYNNDOMH-IERDGZPVSA-N 2 1 335.451 2.976 20 30 EFEDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000283963050 474537535 /nfs/dbraw/zinc/53/75/35/474537535.db2.gz KRCHELJAYMUSKG-UHFFFAOYSA-N 2 1 325.412 2.914 20 30 EFEDMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290143478 474559236 /nfs/dbraw/zinc/55/92/36/474559236.db2.gz KTWDEHDBOKKSAG-QGZVFWFLSA-N 2 1 328.504 2.841 20 30 EFEDMP C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532576 474576137 /nfs/dbraw/zinc/57/61/37/474576137.db2.gz YEWZMVKFZMMJGC-FGZHOGPDSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532576 474576139 /nfs/dbraw/zinc/57/61/39/474576139.db2.gz YEWZMVKFZMMJGC-FGZHOGPDSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532576 474576144 /nfs/dbraw/zinc/57/61/44/474576144.db2.gz YEWZMVKFZMMJGC-FGZHOGPDSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000290532576 474576148 /nfs/dbraw/zinc/57/61/48/474576148.db2.gz YEWZMVKFZMMJGC-FGZHOGPDSA-N 2 1 334.463 2.641 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654390 474758064 /nfs/dbraw/zinc/75/80/64/474758064.db2.gz SSITYCIWHRWDNN-QZTJIDSGSA-N 2 1 330.472 2.850 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460269 475039200 /nfs/dbraw/zinc/03/92/00/475039200.db2.gz ZMMBBRTUSRWPLX-IPMKNSEASA-N 2 1 348.535 2.611 20 30 EFEDMP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000293951262 475059301 /nfs/dbraw/zinc/05/93/01/475059301.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 2 1 329.488 2.602 20 30 EFEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000293951262 475059308 /nfs/dbraw/zinc/05/93/08/475059308.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 2 1 329.488 2.602 20 30 EFEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000293951262 475059313 /nfs/dbraw/zinc/05/93/13/475059313.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 2 1 329.488 2.602 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000294549144 475072018 /nfs/dbraw/zinc/07/20/18/475072018.db2.gz BBMYKENIUOZLBP-OAHLLOKOSA-N 2 1 328.460 2.576 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000294549144 475072025 /nfs/dbraw/zinc/07/20/25/475072025.db2.gz BBMYKENIUOZLBP-OAHLLOKOSA-N 2 1 328.460 2.576 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000294883418 475090649 /nfs/dbraw/zinc/09/06/49/475090649.db2.gz DMZYOMMOSBQKGD-UHFFFAOYSA-N 2 1 333.907 2.849 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000294883418 475090656 /nfs/dbraw/zinc/09/06/56/475090656.db2.gz DMZYOMMOSBQKGD-UHFFFAOYSA-N 2 1 333.907 2.849 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000294940646 475093913 /nfs/dbraw/zinc/09/39/13/475093913.db2.gz HYPBYYZDKOPTJW-INIZCTEOSA-N 2 1 349.906 2.622 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000294940646 475093923 /nfs/dbraw/zinc/09/39/23/475093923.db2.gz HYPBYYZDKOPTJW-INIZCTEOSA-N 2 1 349.906 2.622 20 30 EFEDMP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330229575 475215456 /nfs/dbraw/zinc/21/54/56/475215456.db2.gz QDLLFKSETCYDEN-LJQANCHMSA-N 2 1 343.471 2.858 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000361340951 475368414 /nfs/dbraw/zinc/36/84/14/475368414.db2.gz KRECIITYRBXVKZ-OIISXLGYSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000361340951 475368421 /nfs/dbraw/zinc/36/84/21/475368421.db2.gz KRECIITYRBXVKZ-OIISXLGYSA-N 2 1 330.451 2.738 20 30 EFEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372245 /nfs/dbraw/zinc/37/22/45/475372245.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372253 /nfs/dbraw/zinc/37/22/53/475372253.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372256 /nfs/dbraw/zinc/37/22/56/475372256.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372264 /nfs/dbraw/zinc/37/22/64/475372264.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CCOCCC[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000348115330 475401928 /nfs/dbraw/zinc/40/19/28/475401928.db2.gz XZSOKQXCFOVATD-PKOBYXMFSA-N 2 1 334.508 2.718 20 30 EFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000352902718 475664578 /nfs/dbraw/zinc/66/45/78/475664578.db2.gz QHJYRBCITSBJOP-MRXNPFEDSA-N 2 1 349.548 2.536 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920819 475666467 /nfs/dbraw/zinc/66/64/67/475666467.db2.gz AUZFCSKAHKIFGB-XNMUZJSGSA-N 2 1 344.499 2.712 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920819 475666476 /nfs/dbraw/zinc/66/64/76/475666476.db2.gz AUZFCSKAHKIFGB-XNMUZJSGSA-N 2 1 344.499 2.712 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920819 475666480 /nfs/dbraw/zinc/66/64/80/475666480.db2.gz AUZFCSKAHKIFGB-XNMUZJSGSA-N 2 1 344.499 2.712 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920818 475667216 /nfs/dbraw/zinc/66/72/16/475667216.db2.gz AUZFCSKAHKIFGB-JIRNRHONSA-N 2 1 344.499 2.712 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920818 475667223 /nfs/dbraw/zinc/66/72/23/475667223.db2.gz AUZFCSKAHKIFGB-JIRNRHONSA-N 2 1 344.499 2.712 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920818 475667230 /nfs/dbraw/zinc/66/72/30/475667230.db2.gz AUZFCSKAHKIFGB-JIRNRHONSA-N 2 1 344.499 2.712 20 30 EFEDMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000362035025 475952699 /nfs/dbraw/zinc/95/26/99/475952699.db2.gz YQZCFFBOYNBFEC-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353500641 476023444 /nfs/dbraw/zinc/02/34/44/476023444.db2.gz GMOSBHZCKQJSRK-SFHVURJKSA-N 2 1 326.488 2.849 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642743 476472787 /nfs/dbraw/zinc/47/27/87/476472787.db2.gz DWOSQRFMASVTOU-CALCHBBNSA-N 2 1 327.472 2.879 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519289 /nfs/dbraw/zinc/51/92/89/476519289.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519299 /nfs/dbraw/zinc/51/92/99/476519299.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519303 /nfs/dbraw/zinc/51/93/03/476519303.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 2 1 328.460 2.691 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C#N)n1 ZINC000378043229 476677534 /nfs/dbraw/zinc/67/75/34/476677534.db2.gz WSMVBFFBJFDCCF-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C=C[C@@H](CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156268 477156546 /nfs/dbraw/zinc/15/65/46/477156546.db2.gz QPXXYOZPJOZYOG-PKOBYXMFSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371469364 477339222 /nfs/dbraw/zinc/33/92/22/477339222.db2.gz FDWUGLYQZMWNKF-YZGWKJHDSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371469364 477339231 /nfs/dbraw/zinc/33/92/31/477339231.db2.gz FDWUGLYQZMWNKF-YZGWKJHDSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398904 477749412 /nfs/dbraw/zinc/74/94/12/477749412.db2.gz HEFQGXLQMBCXDG-OWCLPIDISA-N 2 1 335.517 2.568 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398904 477749419 /nfs/dbraw/zinc/74/94/19/477749419.db2.gz HEFQGXLQMBCXDG-OWCLPIDISA-N 2 1 335.517 2.568 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773501 /nfs/dbraw/zinc/77/35/01/477773501.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773506 /nfs/dbraw/zinc/77/35/06/477773506.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773511 /nfs/dbraw/zinc/77/35/11/477773511.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773514 /nfs/dbraw/zinc/77/35/14/477773514.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 2 1 334.467 2.851 20 30 EFEDMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccccc2)CC1 ZINC000530879492 477891123 /nfs/dbraw/zinc/89/11/23/477891123.db2.gz SYSFASVKUGSHEK-LJQANCHMSA-N 2 1 340.496 2.698 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000532536578 477943373 /nfs/dbraw/zinc/94/33/73/477943373.db2.gz AXJVDDXDILRNKB-UHFFFAOYSA-N 2 1 342.487 2.939 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532950161 478013136 /nfs/dbraw/zinc/01/31/36/478013136.db2.gz QBPYPUZNFWVAAI-INIZCTEOSA-N 2 1 342.487 2.937 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429261041 478094312 /nfs/dbraw/zinc/09/43/12/478094312.db2.gz OOIIGKAQLOJYNG-LPHOPBHVSA-N 2 1 347.507 2.600 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429261041 478094319 /nfs/dbraw/zinc/09/43/19/478094319.db2.gz OOIIGKAQLOJYNG-LPHOPBHVSA-N 2 1 347.507 2.600 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000441245938 478203048 /nfs/dbraw/zinc/20/30/48/478203048.db2.gz OCULWRLNOUTXOY-JENIJYKNSA-N 2 1 348.535 2.609 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594501447 478414436 /nfs/dbraw/zinc/41/44/36/478414436.db2.gz WKBAMAAILYUUOQ-QUCCMNQESA-N 2 1 325.456 2.779 20 30 EFEDMP N#CCCN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000591020660 478434277 /nfs/dbraw/zinc/43/42/77/478434277.db2.gz WUFNRQTUZUHSPE-UHFFFAOYSA-N 2 1 326.488 2.704 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718591 478484016 /nfs/dbraw/zinc/48/40/16/478484016.db2.gz YMIJSZGZOUDPLC-PKOBYXMFSA-N 2 1 345.487 2.542 20 30 EFEDMP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594990794 478620735 /nfs/dbraw/zinc/62/07/35/478620735.db2.gz AEQKLMGEVOFYTR-HXUWFJFHSA-N 2 1 326.488 2.597 20 30 EFEDMP CCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594990794 478620744 /nfs/dbraw/zinc/62/07/44/478620744.db2.gz AEQKLMGEVOFYTR-HXUWFJFHSA-N 2 1 326.488 2.597 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595056299 478642835 /nfs/dbraw/zinc/64/28/35/478642835.db2.gz UQMLXOYODPSGQE-PXNSSMCTSA-N 2 1 329.488 2.827 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595056300 478644145 /nfs/dbraw/zinc/64/41/45/478644145.db2.gz UQMLXOYODPSGQE-XLIONFOSSA-N 2 1 329.488 2.827 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491812923 478692181 /nfs/dbraw/zinc/69/21/81/478692181.db2.gz PIMGYNUTRQEXLI-DLBZAZTESA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491812923 478692184 /nfs/dbraw/zinc/69/21/84/478692184.db2.gz PIMGYNUTRQEXLI-DLBZAZTESA-N 2 1 337.508 2.567 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000598718469 478989376 /nfs/dbraw/zinc/98/93/76/478989376.db2.gz BLOBGMTZPVWREA-RTBURBONSA-N 2 1 329.488 2.789 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000565417520 479002901 /nfs/dbraw/zinc/00/29/01/479002901.db2.gz VBFDMBIXVJPXDA-UHFFFAOYSA-N 2 1 337.414 2.924 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565489268 479020506 /nfs/dbraw/zinc/02/05/06/479020506.db2.gz REKVKQXEUYILCV-LJQANCHMSA-N 2 1 341.499 2.665 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2ccncc2)C1)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000567246150 479104367 /nfs/dbraw/zinc/10/43/67/479104367.db2.gz GYINUVGDTJYJLO-FGZHOGPDSA-N 2 1 346.478 2.759 20 30 EFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C#N)CCC#N)CC2)oc1C ZINC000554551442 479157641 /nfs/dbraw/zinc/15/76/41/479157641.db2.gz DVVKBYRCYZVPEO-KRWDZBQOSA-N 2 1 329.448 2.537 20 30 EFEDMP N#Cc1ccccc1COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287839 479338815 /nfs/dbraw/zinc/33/88/15/479338815.db2.gz WJVUCVXDTWNWJS-PMACEKPBSA-N 2 1 333.435 2.788 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](C)CCC#N)cc2)CC1 ZINC000602512365 479375977 /nfs/dbraw/zinc/37/59/77/479375977.db2.gz AQYKIWBTZGPWEE-SFHVURJKSA-N 2 1 328.504 2.854 20 30 EFEDMP N#CCN1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602538390 479387831 /nfs/dbraw/zinc/38/78/31/479387831.db2.gz LHXIVEHUHMQPHE-FPOVZHCZSA-N 2 1 338.499 2.932 20 30 EFEDMP N#CCN1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602538390 479387837 /nfs/dbraw/zinc/38/78/37/479387837.db2.gz LHXIVEHUHMQPHE-FPOVZHCZSA-N 2 1 338.499 2.932 20 30 EFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000602595339 479415434 /nfs/dbraw/zinc/41/54/34/479415434.db2.gz YQIWOHNBQWCUDS-GOSISDBHSA-N 2 1 349.519 2.710 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723730 479435603 /nfs/dbraw/zinc/43/56/03/479435603.db2.gz YBOMRUQIXJUBKN-OXJNMPFZSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723730 479435607 /nfs/dbraw/zinc/43/56/07/479435607.db2.gz YBOMRUQIXJUBKN-OXJNMPFZSA-N 2 1 326.488 2.595 20 30 EFEDMP C=CC[C@@H](Cc1ccccc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630592840 480796920 /nfs/dbraw/zinc/79/69/20/480796920.db2.gz ZMQFSJGAKCSCSI-FQEVSTJZSA-N 2 1 339.487 2.604 20 30 EFEDMP C=CC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242510 482387662 /nfs/dbraw/zinc/38/76/62/482387662.db2.gz BLYYGOYZHJXGTG-IRXDYDNUSA-N 2 1 331.460 2.537 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171714432 526442672 /nfs/dbraw/zinc/44/26/72/526442672.db2.gz RNJZNLPNGLYOBO-LJQANCHMSA-N 2 1 341.499 2.665 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017232 528669493 /nfs/dbraw/zinc/66/94/93/528669493.db2.gz SNTXSLBAIVYNHA-XLIONFOSSA-N 2 1 345.487 2.664 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690494 535596912 /nfs/dbraw/zinc/59/69/12/535596912.db2.gz CDLLVLGGCQPKIT-HEHGZKQESA-N 2 1 338.858 2.724 20 30 EFEDMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OCCCC#N ZINC000299478452 536893433 /nfs/dbraw/zinc/89/34/33/536893433.db2.gz AVGHBSAYUZDKHB-UHFFFAOYSA-N 2 1 328.416 2.673 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000760160924 575985481 /nfs/dbraw/zinc/98/54/81/575985481.db2.gz UAWQNPUDISGHDS-GOEBONIOSA-N 2 1 344.446 2.984 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762480837 576306550 /nfs/dbraw/zinc/30/65/50/576306550.db2.gz CRLPEPUXDHLVMA-IRXDYDNUSA-N 2 1 331.460 2.568 20 30 EFEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752514547 1249753485 /nfs/dbraw/zinc/75/34/85/1249753485.db2.gz RXMPIVIEXFTRIO-GOSISDBHSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752514547 1249753495 /nfs/dbraw/zinc/75/34/95/1249753495.db2.gz RXMPIVIEXFTRIO-GOSISDBHSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752514547 1249753502 /nfs/dbraw/zinc/75/35/02/1249753502.db2.gz RXMPIVIEXFTRIO-GOSISDBHSA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112382467 1252031476 /nfs/dbraw/zinc/03/14/76/1252031476.db2.gz ZNTCVKDWILEJER-NSHGMRRFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112382466 1252032251 /nfs/dbraw/zinc/03/22/51/1252032251.db2.gz ZNTCVKDWILEJER-BJLQDIEVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683661 1252159148 /nfs/dbraw/zinc/15/91/48/1252159148.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683661 1252159159 /nfs/dbraw/zinc/15/91/59/1252159159.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683661 1252159167 /nfs/dbraw/zinc/15/91/67/1252159167.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683868 1252166926 /nfs/dbraw/zinc/16/69/26/1252166926.db2.gz IGBKKPQKGCVJNJ-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683868 1252166938 /nfs/dbraw/zinc/16/69/38/1252166938.db2.gz IGBKKPQKGCVJNJ-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683868 1252166948 /nfs/dbraw/zinc/16/69/48/1252166948.db2.gz IGBKKPQKGCVJNJ-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484350182 1252439460 /nfs/dbraw/zinc/43/94/60/1252439460.db2.gz FPVYJVPOJYKTDF-HUUCEWRRSA-N 2 1 338.883 2.586 20 30 EFEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825636 1254746247 /nfs/dbraw/zinc/74/62/47/1254746247.db2.gz VWLYSHLSZAUSRL-WMZOPIPTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299984 1255184783 /nfs/dbraw/zinc/18/47/83/1255184783.db2.gz HWULHVLJTYLFHY-KXBFYZLASA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374847 1255258289 /nfs/dbraw/zinc/25/82/89/1255258289.db2.gz UFUBCYWJAYHSSX-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524200 1255411715 /nfs/dbraw/zinc/41/17/15/1255411715.db2.gz NXSSBPFLBHBXCP-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676821 1255726239 /nfs/dbraw/zinc/72/62/39/1255726239.db2.gz PQYMKCNFNOHYGN-ZWKOTPCHSA-N 2 1 329.488 2.692 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000996684049 1255739797 /nfs/dbraw/zinc/73/97/97/1255739797.db2.gz FPSCSBOPZHXESC-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000996684049 1255739804 /nfs/dbraw/zinc/73/98/04/1255739804.db2.gz FPSCSBOPZHXESC-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107409558 1255758170 /nfs/dbraw/zinc/75/81/70/1255758170.db2.gz YCWTZFBYZQRHDY-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436854 1255816370 /nfs/dbraw/zinc/81/63/70/1255816370.db2.gz UVUBNLUCBVTHMN-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444382 1255832433 /nfs/dbraw/zinc/83/24/33/1255832433.db2.gz DWGYWOOJUVIISR-SOLBZPMBSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567565 1256157168 /nfs/dbraw/zinc/15/71/68/1256157168.db2.gz ZHXJMQNJIFBICJ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568384 1256158531 /nfs/dbraw/zinc/15/85/31/1256158531.db2.gz ZXSYRJGKDUKWTE-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646649 1256371071 /nfs/dbraw/zinc/37/10/71/1256371071.db2.gz ODVBSQQJAZHWCW-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000996909614 1256452647 /nfs/dbraw/zinc/45/26/47/1256452647.db2.gz FZRUJQSAOJLGEZ-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997061867 1256779576 /nfs/dbraw/zinc/77/95/76/1256779576.db2.gz KIHDCWGODIOEID-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445789 1257483456 /nfs/dbraw/zinc/48/34/56/1257483456.db2.gz QSRDWFQEIYQEIH-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445789 1257483462 /nfs/dbraw/zinc/48/34/62/1257483462.db2.gz QSRDWFQEIYQEIH-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445789 1257483466 /nfs/dbraw/zinc/48/34/66/1257483466.db2.gz QSRDWFQEIYQEIH-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997595272 1258077457 /nfs/dbraw/zinc/07/74/57/1258077457.db2.gz ASQPZPGESFBAQS-YTQUADARSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997618618 1258121352 /nfs/dbraw/zinc/12/13/52/1258121352.db2.gz PLPUOKOJQBNOTM-QFBILLFUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007972 1258934516 /nfs/dbraw/zinc/93/45/16/1258934516.db2.gz PYVVTHHAYFYJMN-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007975 1258934567 /nfs/dbraw/zinc/93/45/67/1258934567.db2.gz PYVVTHHAYFYJMN-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006219 1258935980 /nfs/dbraw/zinc/93/59/80/1258935980.db2.gz JHNIEBVEHWMENG-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643005 1258955235 /nfs/dbraw/zinc/95/52/35/1258955235.db2.gz QBVJIMIDVZLTNT-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018282 1258967561 /nfs/dbraw/zinc/96/75/61/1258967561.db2.gz OKKWQAHNXOWMBO-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998018282 1258967566 /nfs/dbraw/zinc/96/75/66/1258967566.db2.gz OKKWQAHNXOWMBO-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998018282 1258967569 /nfs/dbraw/zinc/96/75/69/1258967569.db2.gz OKKWQAHNXOWMBO-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000998051897 1259033637 /nfs/dbraw/zinc/03/36/37/1259033637.db2.gz NQVDBOOYOHFKHV-MSOLQXFVSA-N 2 1 344.503 2.725 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000998051903 1259034713 /nfs/dbraw/zinc/03/47/13/1259034713.db2.gz NQVDBOOYOHFKHV-ROUUACIJSA-N 2 1 344.503 2.725 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998090842 1259096528 /nfs/dbraw/zinc/09/65/28/1259096528.db2.gz BOAYRVNPUYPUPE-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090842 1259096535 /nfs/dbraw/zinc/09/65/35/1259096535.db2.gz BOAYRVNPUYPUPE-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090842 1259096542 /nfs/dbraw/zinc/09/65/42/1259096542.db2.gz BOAYRVNPUYPUPE-PMACEKPBSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101595 1259111562 /nfs/dbraw/zinc/11/15/62/1259111562.db2.gz JAGKAVMCCRAYHZ-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998101595 1259111563 /nfs/dbraw/zinc/11/15/63/1259111563.db2.gz JAGKAVMCCRAYHZ-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000998152106 1259166756 /nfs/dbraw/zinc/16/67/56/1259166756.db2.gz XVKCDDRQVXQFOA-HXUWFJFHSA-N 2 1 341.499 2.698 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164805 1259181075 /nfs/dbraw/zinc/18/10/75/1259181075.db2.gz KEYJWLBEFIWLBU-HXUWFJFHSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCC=C)CC2)CC1 ZINC000998200083 1259231290 /nfs/dbraw/zinc/23/12/90/1259231290.db2.gz SMWYMIDNBWLRNA-FQEVSTJZSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999199282 1260344917 /nfs/dbraw/zinc/34/49/17/1260344917.db2.gz FWZWGDIJGDEIOR-HUUCEWRRSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664470 1260356566 /nfs/dbraw/zinc/35/65/66/1260356566.db2.gz CTLLOSFTJHALMO-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664470 1260356573 /nfs/dbraw/zinc/35/65/73/1260356573.db2.gz CTLLOSFTJHALMO-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006071991 1261606340 /nfs/dbraw/zinc/60/63/40/1261606340.db2.gz HVDIXQKUFKZVHN-UHFFFAOYSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904568 1261723913 /nfs/dbraw/zinc/72/39/13/1261723913.db2.gz JYVCZOUOURVYNN-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800475 1261768380 /nfs/dbraw/zinc/76/83/80/1261768380.db2.gz KKGKRXNDFFHOMO-ROUUACIJSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346220 1263846561 /nfs/dbraw/zinc/84/65/61/1263846561.db2.gz BJYJXZMBQKEJJV-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346220 1263846580 /nfs/dbraw/zinc/84/65/80/1263846580.db2.gz BJYJXZMBQKEJJV-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346220 1263846599 /nfs/dbraw/zinc/84/65/99/1263846599.db2.gz BJYJXZMBQKEJJV-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356774 1263853589 /nfs/dbraw/zinc/85/35/89/1263853589.db2.gz ZRXMMPZFBOXKIA-BRWVUGGUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356774 1263853609 /nfs/dbraw/zinc/85/36/09/1263853609.db2.gz ZRXMMPZFBOXKIA-BRWVUGGUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405451 1263914204 /nfs/dbraw/zinc/91/42/04/1263914204.db2.gz NVGMIOMRUZWJDN-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405451 1263914211 /nfs/dbraw/zinc/91/42/11/1263914211.db2.gz NVGMIOMRUZWJDN-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405451 1263914220 /nfs/dbraw/zinc/91/42/20/1263914220.db2.gz NVGMIOMRUZWJDN-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469570 1263941182 /nfs/dbraw/zinc/94/11/82/1263941182.db2.gz BNTMMXURKFOKGZ-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469570 1263941188 /nfs/dbraw/zinc/94/11/88/1263941188.db2.gz BNTMMXURKFOKGZ-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469570 1263941194 /nfs/dbraw/zinc/94/11/94/1263941194.db2.gz BNTMMXURKFOKGZ-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002825171 1264128093 /nfs/dbraw/zinc/12/80/93/1264128093.db2.gz WCBSQJIARMHJEE-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751773 1264312347 /nfs/dbraw/zinc/31/23/47/1264312347.db2.gz CKKCCECFNOFHDZ-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766912 1264361374 /nfs/dbraw/zinc/36/13/74/1264361374.db2.gz WKECMUMAXLTPAE-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854003 1264541897 /nfs/dbraw/zinc/54/18/97/1264541897.db2.gz UEYCYYUBJVGUGY-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854003 1264541899 /nfs/dbraw/zinc/54/18/99/1264541899.db2.gz UEYCYYUBJVGUGY-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084863076 1264554140 /nfs/dbraw/zinc/55/41/40/1264554140.db2.gz SPNMIZYFLPTYRB-SJLPKXTDSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944251 1264717124 /nfs/dbraw/zinc/71/71/24/1264717124.db2.gz BZCMZWISCGQHDJ-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944251 1264717131 /nfs/dbraw/zinc/71/71/31/1264717131.db2.gz BZCMZWISCGQHDJ-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944251 1264717139 /nfs/dbraw/zinc/71/71/39/1264717139.db2.gz BZCMZWISCGQHDJ-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953422 1264754272 /nfs/dbraw/zinc/75/42/72/1264754272.db2.gz KKWBANYWKBNMMY-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953422 1264754275 /nfs/dbraw/zinc/75/42/75/1264754275.db2.gz KKWBANYWKBNMMY-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953422 1264754279 /nfs/dbraw/zinc/75/42/79/1264754279.db2.gz KKWBANYWKBNMMY-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953422 1264754284 /nfs/dbraw/zinc/75/42/84/1264754284.db2.gz KKWBANYWKBNMMY-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014242 1264925708 /nfs/dbraw/zinc/92/57/08/1264925708.db2.gz NUVBPZZLQKUSTL-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014242 1264925711 /nfs/dbraw/zinc/92/57/11/1264925711.db2.gz NUVBPZZLQKUSTL-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014242 1264925713 /nfs/dbraw/zinc/92/57/13/1264925713.db2.gz NUVBPZZLQKUSTL-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014186 1264927076 /nfs/dbraw/zinc/92/70/76/1264927076.db2.gz KEVUQCRFAODKSJ-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014186 1264927078 /nfs/dbraw/zinc/92/70/78/1264927078.db2.gz KEVUQCRFAODKSJ-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014186 1264927081 /nfs/dbraw/zinc/92/70/81/1264927081.db2.gz KEVUQCRFAODKSJ-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049765 1265029875 /nfs/dbraw/zinc/02/98/75/1265029875.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049765 1265029882 /nfs/dbraw/zinc/02/98/82/1265029882.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049765 1265029886 /nfs/dbraw/zinc/02/98/86/1265029886.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049706 1265030618 /nfs/dbraw/zinc/03/06/18/1265030618.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049706 1265030626 /nfs/dbraw/zinc/03/06/26/1265030626.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049706 1265030633 /nfs/dbraw/zinc/03/06/33/1265030633.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001410417801 1265062180 /nfs/dbraw/zinc/06/21/80/1265062180.db2.gz ATOVTHHXGMDLTC-HNNXBMFYSA-N 2 1 329.916 2.830 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072587 1265076480 /nfs/dbraw/zinc/07/64/80/1265076480.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072587 1265076488 /nfs/dbraw/zinc/07/64/88/1265076488.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072587 1265076499 /nfs/dbraw/zinc/07/64/99/1265076499.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080885 1266446519 /nfs/dbraw/zinc/44/65/19/1266446519.db2.gz DYHWMYAWVJFVKG-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033080885 1266446526 /nfs/dbraw/zinc/44/65/26/1266446526.db2.gz DYHWMYAWVJFVKG-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033080885 1266446531 /nfs/dbraw/zinc/44/65/31/1266446531.db2.gz DYHWMYAWVJFVKG-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273038549 1266533601 /nfs/dbraw/zinc/53/36/01/1266533601.db2.gz FDRRZQLEOUCKSO-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592730 1266587782 /nfs/dbraw/zinc/58/77/82/1266587782.db2.gz WLTSUMWQFSYPII-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085225444 1266862048 /nfs/dbraw/zinc/86/20/48/1266862048.db2.gz WDNAPRAVYCWXJF-QRVBRYPASA-N 2 1 333.520 2.987 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004431419 1266992588 /nfs/dbraw/zinc/99/25/88/1266992588.db2.gz XLWSASOHSOANFS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431419 1266992595 /nfs/dbraw/zinc/99/25/95/1266992595.db2.gz XLWSASOHSOANFS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431419 1266992603 /nfs/dbraw/zinc/99/26/03/1266992603.db2.gz XLWSASOHSOANFS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444923 1267015661 /nfs/dbraw/zinc/01/56/61/1267015661.db2.gz CENQQWCKWBDFNO-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444923 1267015671 /nfs/dbraw/zinc/01/56/71/1267015671.db2.gz CENQQWCKWBDFNO-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444923 1267015680 /nfs/dbraw/zinc/01/56/80/1267015680.db2.gz CENQQWCKWBDFNO-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004447496 1267028528 /nfs/dbraw/zinc/02/85/28/1267028528.db2.gz SPQMHLBBFJTERW-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004447496 1267028542 /nfs/dbraw/zinc/02/85/42/1267028542.db2.gz SPQMHLBBFJTERW-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004447496 1267028556 /nfs/dbraw/zinc/02/85/56/1267028556.db2.gz SPQMHLBBFJTERW-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004448781 1267031030 /nfs/dbraw/zinc/03/10/30/1267031030.db2.gz FRALDRAZECBONO-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004448781 1267031043 /nfs/dbraw/zinc/03/10/43/1267031043.db2.gz FRALDRAZECBONO-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004448781 1267031056 /nfs/dbraw/zinc/03/10/56/1267031056.db2.gz FRALDRAZECBONO-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004454870 1267080200 /nfs/dbraw/zinc/08/02/00/1267080200.db2.gz APRCZQQLDIUKGO-LJQANCHMSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004455915 1267082393 /nfs/dbraw/zinc/08/23/93/1267082393.db2.gz BXYBKLMEOUQHNK-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455915 1267082401 /nfs/dbraw/zinc/08/24/01/1267082401.db2.gz BXYBKLMEOUQHNK-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455915 1267082406 /nfs/dbraw/zinc/08/24/06/1267082406.db2.gz BXYBKLMEOUQHNK-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456728 1267085074 /nfs/dbraw/zinc/08/50/74/1267085074.db2.gz HDUFZNHIXOTYQD-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004456728 1267085085 /nfs/dbraw/zinc/08/50/85/1267085085.db2.gz HDUFZNHIXOTYQD-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004456728 1267085092 /nfs/dbraw/zinc/08/50/92/1267085092.db2.gz HDUFZNHIXOTYQD-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004463427 1267090425 /nfs/dbraw/zinc/09/04/25/1267090425.db2.gz KCTWHRCAWFELPB-MOPGFXCFSA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621473 1267195040 /nfs/dbraw/zinc/19/50/40/1267195040.db2.gz ZQNLZKSMXLCEOC-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621473 1267195044 /nfs/dbraw/zinc/19/50/44/1267195044.db2.gz ZQNLZKSMXLCEOC-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621473 1267195047 /nfs/dbraw/zinc/19/50/47/1267195047.db2.gz ZQNLZKSMXLCEOC-HSALFYBXSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]cc1-c1ccccc1 ZINC001171069679 1278313580 /nfs/dbraw/zinc/31/35/80/1278313580.db2.gz MWRDYVRMOGIREO-SFHVURJKSA-N 2 1 339.439 2.809 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623978 1267221120 /nfs/dbraw/zinc/22/11/20/1267221120.db2.gz XALOQQUIQWXQPV-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623978 1267221128 /nfs/dbraw/zinc/22/11/28/1267221128.db2.gz XALOQQUIQWXQPV-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623978 1267221136 /nfs/dbraw/zinc/22/11/36/1267221136.db2.gz XALOQQUIQWXQPV-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004526340 1267225700 /nfs/dbraw/zinc/22/57/00/1267225700.db2.gz ZVRVGGNOHPDEIY-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004527971 1267226847 /nfs/dbraw/zinc/22/68/47/1267226847.db2.gz MXBCXLDRKPELPO-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527971 1267226854 /nfs/dbraw/zinc/22/68/54/1267226854.db2.gz MXBCXLDRKPELPO-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527971 1267226862 /nfs/dbraw/zinc/22/68/62/1267226862.db2.gz MXBCXLDRKPELPO-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004527983 1267226873 /nfs/dbraw/zinc/22/68/73/1267226873.db2.gz MXBCXLDRKPELPO-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527983 1267226883 /nfs/dbraw/zinc/22/68/83/1267226883.db2.gz MXBCXLDRKPELPO-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527983 1267226889 /nfs/dbraw/zinc/22/68/89/1267226889.db2.gz MXBCXLDRKPELPO-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004545369 1267263589 /nfs/dbraw/zinc/26/35/89/1267263589.db2.gz ZGZXIORHTGWPMA-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004545620 1267266336 /nfs/dbraw/zinc/26/63/36/1267266336.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004545620 1267266345 /nfs/dbraw/zinc/26/63/45/1267266345.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004545620 1267266351 /nfs/dbraw/zinc/26/63/51/1267266351.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004549246 1267274538 /nfs/dbraw/zinc/27/45/38/1267274538.db2.gz VTSVBUGDBOVGCR-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549417 1267275210 /nfs/dbraw/zinc/27/52/10/1267275210.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549417 1267275219 /nfs/dbraw/zinc/27/52/19/1267275219.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549417 1267275225 /nfs/dbraw/zinc/27/52/25/1267275225.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595183 1267360865 /nfs/dbraw/zinc/36/08/65/1267360865.db2.gz GCHAAKCEKDNAHN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595183 1267360880 /nfs/dbraw/zinc/36/08/80/1267360880.db2.gz GCHAAKCEKDNAHN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595183 1267360890 /nfs/dbraw/zinc/36/08/90/1267360890.db2.gz GCHAAKCEKDNAHN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619027 1267412632 /nfs/dbraw/zinc/41/26/32/1267412632.db2.gz JKQDJMFPMNEGTP-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618963 1267412758 /nfs/dbraw/zinc/41/27/58/1267412758.db2.gz IPXLKODCAWOBKW-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657385 1267575453 /nfs/dbraw/zinc/57/54/53/1267575453.db2.gz IPPBSSOXIOYFIG-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657385 1267575460 /nfs/dbraw/zinc/57/54/60/1267575460.db2.gz IPPBSSOXIOYFIG-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657385 1267575466 /nfs/dbraw/zinc/57/54/66/1267575466.db2.gz IPPBSSOXIOYFIG-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033160063 1267585061 /nfs/dbraw/zinc/58/50/61/1267585061.db2.gz DFEPFXZTMQSPLP-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033160063 1267585067 /nfs/dbraw/zinc/58/50/67/1267585067.db2.gz DFEPFXZTMQSPLP-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033160063 1267585074 /nfs/dbraw/zinc/58/50/74/1267585074.db2.gz DFEPFXZTMQSPLP-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033160063 1267585080 /nfs/dbraw/zinc/58/50/80/1267585080.db2.gz DFEPFXZTMQSPLP-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728813 1267807996 /nfs/dbraw/zinc/80/79/96/1267807996.db2.gz OMLFADADVNLSJA-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728813 1267808007 /nfs/dbraw/zinc/80/80/07/1267808007.db2.gz OMLFADADVNLSJA-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728813 1267808025 /nfs/dbraw/zinc/80/80/25/1267808025.db2.gz OMLFADADVNLSJA-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(C2=[NH+]CCC2)c1 ZINC001171072756 1278376112 /nfs/dbraw/zinc/37/61/12/1278376112.db2.gz USAOQMRAZKQNDP-KRWDZBQOSA-N 2 1 329.444 2.908 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639969 1268097124 /nfs/dbraw/zinc/09/71/24/1268097124.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639969 1268097137 /nfs/dbraw/zinc/09/71/37/1268097137.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639969 1268097150 /nfs/dbraw/zinc/09/71/50/1268097150.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001273127156 1268652402 /nfs/dbraw/zinc/65/24/02/1268652402.db2.gz XNZORQUUZDOOIM-CTNGQTDRSA-N 2 1 345.531 2.918 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)CC[C@@H]2C1 ZINC000946800448 1268722666 /nfs/dbraw/zinc/72/26/66/1268722666.db2.gz CIEQZWUNASDHRQ-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800448 1268722673 /nfs/dbraw/zinc/72/26/73/1268722673.db2.gz CIEQZWUNASDHRQ-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800448 1268722680 /nfs/dbraw/zinc/72/26/80/1268722680.db2.gz CIEQZWUNASDHRQ-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808311 1268774485 /nfs/dbraw/zinc/77/44/85/1268774485.db2.gz NTOTXZNWCGJKLB-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946808945 1268790134 /nfs/dbraw/zinc/79/01/34/1268790134.db2.gz UZXSFKMRAMGUNG-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946808945 1268790144 /nfs/dbraw/zinc/79/01/44/1268790144.db2.gz UZXSFKMRAMGUNG-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818399 1268861686 /nfs/dbraw/zinc/86/16/86/1268861686.db2.gz JOSOSPIUWNCRSV-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818399 1268861700 /nfs/dbraw/zinc/86/17/00/1268861700.db2.gz JOSOSPIUWNCRSV-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818399 1268861711 /nfs/dbraw/zinc/86/17/11/1268861711.db2.gz JOSOSPIUWNCRSV-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917128 1269068824 /nfs/dbraw/zinc/06/88/24/1269068824.db2.gz QSUITPNDFQPJLC-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419498 1269122211 /nfs/dbraw/zinc/12/22/11/1269122211.db2.gz ACNHISDHGLJLLO-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572336 1269471227 /nfs/dbraw/zinc/47/12/27/1269471227.db2.gz UWHQKZUTOMGTJF-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006280241 1269664919 /nfs/dbraw/zinc/66/49/19/1269664919.db2.gz XEUGBBFEPIWOBT-LJQANCHMSA-N 2 1 333.520 2.587 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001410846005 1269792485 /nfs/dbraw/zinc/79/24/85/1269792485.db2.gz DRNCSWBJNTWQLI-HZPDHXFCSA-N 2 1 341.927 2.973 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832402 1270293560 /nfs/dbraw/zinc/29/35/60/1270293560.db2.gz FGHUFYMMULJUAC-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832402 1270293562 /nfs/dbraw/zinc/29/35/62/1270293562.db2.gz FGHUFYMMULJUAC-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832402 1270293568 /nfs/dbraw/zinc/29/35/68/1270293568.db2.gz FGHUFYMMULJUAC-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390323 1270300630 /nfs/dbraw/zinc/30/06/30/1270300630.db2.gz JRMRTKMCGRYZNN-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005390323 1270300641 /nfs/dbraw/zinc/30/06/41/1270300641.db2.gz JRMRTKMCGRYZNN-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005391779 1270312598 /nfs/dbraw/zinc/31/25/98/1270312598.db2.gz UPKJFAZRWGSORQ-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005391768 1270312991 /nfs/dbraw/zinc/31/29/91/1270312991.db2.gz UPKJFAZRWGSORQ-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395116 1270333387 /nfs/dbraw/zinc/33/33/87/1270333387.db2.gz HWUCMFASTILUEP-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855017 1270373142 /nfs/dbraw/zinc/37/31/42/1270373142.db2.gz GACHVWFATNSJGQ-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855017 1270373151 /nfs/dbraw/zinc/37/31/51/1270373151.db2.gz GACHVWFATNSJGQ-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012868 1270829805 /nfs/dbraw/zinc/82/98/05/1270829805.db2.gz QQEJFFOSSYCDSZ-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005505031 1271045230 /nfs/dbraw/zinc/04/52/30/1271045230.db2.gz XBRZKAQHEZBYPR-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005505033 1271045478 /nfs/dbraw/zinc/04/54/78/1271045478.db2.gz XBRZKAQHEZBYPR-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711038 1271250661 /nfs/dbraw/zinc/25/06/61/1271250661.db2.gz KPMBRKAZFCTRMD-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711038 1271250668 /nfs/dbraw/zinc/25/06/68/1271250668.db2.gz KPMBRKAZFCTRMD-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711038 1271250672 /nfs/dbraw/zinc/25/06/72/1271250672.db2.gz KPMBRKAZFCTRMD-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211851 1271366127 /nfs/dbraw/zinc/36/61/27/1271366127.db2.gz PCNCHKWMAIHKIB-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211851 1271366133 /nfs/dbraw/zinc/36/61/33/1271366133.db2.gz PCNCHKWMAIHKIB-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211851 1271366140 /nfs/dbraw/zinc/36/61/40/1271366140.db2.gz PCNCHKWMAIHKIB-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724075 1278641401 /nfs/dbraw/zinc/64/14/01/1278641401.db2.gz GNCDHMNFUFDMJV-GOSISDBHSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724075 1278641385 /nfs/dbraw/zinc/64/13/85/1278641385.db2.gz GNCDHMNFUFDMJV-GOSISDBHSA-N 2 1 329.488 2.617 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034479688 1272082021 /nfs/dbraw/zinc/08/20/21/1272082021.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034479688 1272082030 /nfs/dbraw/zinc/08/20/30/1272082030.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034479688 1272082042 /nfs/dbraw/zinc/08/20/42/1272082042.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480728 1272087707 /nfs/dbraw/zinc/08/77/07/1272087707.db2.gz NBSQIDIVVSPSJI-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480728 1272087719 /nfs/dbraw/zinc/08/77/19/1272087719.db2.gz NBSQIDIVVSPSJI-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480728 1272087732 /nfs/dbraw/zinc/08/77/32/1272087732.db2.gz NBSQIDIVVSPSJI-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108325037 1272247003 /nfs/dbraw/zinc/24/70/03/1272247003.db2.gz KLLRINFXTWJAMK-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108325037 1272247007 /nfs/dbraw/zinc/24/70/07/1272247007.db2.gz KLLRINFXTWJAMK-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108325037 1272247013 /nfs/dbraw/zinc/24/70/13/1272247013.db2.gz KLLRINFXTWJAMK-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108357125 1272301451 /nfs/dbraw/zinc/30/14/51/1272301451.db2.gz YEKCKFAIXVOVLN-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092126 1272670439 /nfs/dbraw/zinc/67/04/39/1272670439.db2.gz YAVAQKAKWZEFKA-MZADTFQBSA-N 2 1 338.499 2.737 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169139419 1272698140 /nfs/dbraw/zinc/69/81/40/1272698140.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169139419 1272698154 /nfs/dbraw/zinc/69/81/54/1272698154.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139419 1272698171 /nfs/dbraw/zinc/69/81/71/1272698171.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139419 1272698182 /nfs/dbraw/zinc/69/81/82/1272698182.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](CC)CC3)C2)C1 ZINC001169246221 1272767839 /nfs/dbraw/zinc/76/78/39/1272767839.db2.gz PPKKDDHLXMUJAJ-LJQANCHMSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CC)CC3)C2)C1 ZINC001169246221 1272767852 /nfs/dbraw/zinc/76/78/52/1272767852.db2.gz PPKKDDHLXMUJAJ-LJQANCHMSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CC[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC001169838066 1273189810 /nfs/dbraw/zinc/18/98/10/1273189810.db2.gz KEESREZPARWTIT-HZPDHXFCSA-N 2 1 342.443 2.881 20 30 EFEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733864 1273421878 /nfs/dbraw/zinc/42/18/78/1273421878.db2.gz JFLKFCVEFJZAIZ-BJLQDIEVSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108769974 1273459592 /nfs/dbraw/zinc/45/95/92/1273459592.db2.gz IALZHXLXLFEVQN-BBWFWOEESA-N 2 1 330.476 2.552 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764392 1273467673 /nfs/dbraw/zinc/46/76/73/1273467673.db2.gz KQDGYFVBIPPSLY-XHSDSOJGSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765385 1273468953 /nfs/dbraw/zinc/46/89/53/1273468953.db2.gz PHURPINZTCRUML-KSZLIROESA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184399 1273750864 /nfs/dbraw/zinc/75/08/64/1273750864.db2.gz JPEGALGBACNQMY-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184399 1273750867 /nfs/dbraw/zinc/75/08/67/1273750867.db2.gz JPEGALGBACNQMY-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184399 1273750869 /nfs/dbraw/zinc/75/08/69/1273750869.db2.gz JPEGALGBACNQMY-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184273 1273751121 /nfs/dbraw/zinc/75/11/21/1273751121.db2.gz GAVDZTZHVDPNRP-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035198774 1273766905 /nfs/dbraw/zinc/76/69/05/1273766905.db2.gz DKPQJFPKZHWKSU-UHFFFAOYSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203818 1273778087 /nfs/dbraw/zinc/77/80/87/1273778087.db2.gz QGRJBLILLPLNCU-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205782 1273784567 /nfs/dbraw/zinc/78/45/67/1273784567.db2.gz WPAIALHOQRVVCS-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193622 1273815355 /nfs/dbraw/zinc/81/53/55/1273815355.db2.gz JJMMDSZJRKELCI-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193622 1273815364 /nfs/dbraw/zinc/81/53/64/1273815364.db2.gz JJMMDSZJRKELCI-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193622 1273815377 /nfs/dbraw/zinc/81/53/77/1273815377.db2.gz JJMMDSZJRKELCI-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035195797 1273823321 /nfs/dbraw/zinc/82/33/21/1273823321.db2.gz KJJPYNBQDMCTEM-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195797 1273823327 /nfs/dbraw/zinc/82/33/27/1273823327.db2.gz KJJPYNBQDMCTEM-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195797 1273823333 /nfs/dbraw/zinc/82/33/33/1273823333.db2.gz KJJPYNBQDMCTEM-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226373 1273843734 /nfs/dbraw/zinc/84/37/34/1273843734.db2.gz HCSHZXVNGOUFDB-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212952 1273868263 /nfs/dbraw/zinc/86/82/63/1273868263.db2.gz QAJIITWGZXUMCI-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212949 1273868678 /nfs/dbraw/zinc/86/86/78/1273868678.db2.gz QAJIITWGZXUMCI-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233787 1273887555 /nfs/dbraw/zinc/88/75/55/1273887555.db2.gz MNFXBRDSMHBXES-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233787 1273887565 /nfs/dbraw/zinc/88/75/65/1273887565.db2.gz MNFXBRDSMHBXES-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233787 1273887575 /nfs/dbraw/zinc/88/75/75/1273887575.db2.gz MNFXBRDSMHBXES-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239745 1273906210 /nfs/dbraw/zinc/90/62/10/1273906210.db2.gz ZSAAGSVZAGZHCF-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244514 1273915552 /nfs/dbraw/zinc/91/55/52/1273915552.db2.gz PTVLCSBKBWCTBS-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035256637 1273945905 /nfs/dbraw/zinc/94/59/05/1273945905.db2.gz LAMDNAZRQLMJMA-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732956 1274422000 /nfs/dbraw/zinc/42/20/00/1274422000.db2.gz JXHJEXVGKJVEOK-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035733008 1274424041 /nfs/dbraw/zinc/42/40/41/1274424041.db2.gz KXTJZNYNCDXXRZ-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646339 1274513263 /nfs/dbraw/zinc/51/32/63/1274513263.db2.gz SGIGKSVLKSVRKJ-IKGGRYGDSA-N 2 1 331.460 2.643 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646339 1274513268 /nfs/dbraw/zinc/51/32/68/1274513268.db2.gz SGIGKSVLKSVRKJ-IKGGRYGDSA-N 2 1 331.460 2.643 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001110040626 1275037005 /nfs/dbraw/zinc/03/70/05/1275037005.db2.gz XSPKKYQNHZDYFB-JKBKZWBZSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001110040626 1275037015 /nfs/dbraw/zinc/03/70/15/1275037015.db2.gz XSPKKYQNHZDYFB-JKBKZWBZSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001110040626 1275037019 /nfs/dbraw/zinc/03/70/19/1275037019.db2.gz XSPKKYQNHZDYFB-JKBKZWBZSA-N 2 1 345.531 2.940 20 30 EFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547500 1275113110 /nfs/dbraw/zinc/11/31/10/1275113110.db2.gz VWADNLGKVZEMPJ-FPOVZHCZSA-N 2 1 347.547 2.740 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036202815 1275220794 /nfs/dbraw/zinc/22/07/94/1275220794.db2.gz KVSXTWXMXFHTER-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036209581 1275230207 /nfs/dbraw/zinc/23/02/07/1275230207.db2.gz SUULASQGDGQGNK-UKRRQHHQSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112585661 1275310058 /nfs/dbraw/zinc/31/00/58/1275310058.db2.gz KSSPYQBZFOCEFX-NSHGMRRFSA-N 2 1 333.520 2.655 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855126 1276111071 /nfs/dbraw/zinc/11/10/71/1276111071.db2.gz LJMIREVJXATSBT-OALUTQOASA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855133 1276111103 /nfs/dbraw/zinc/11/11/03/1276111103.db2.gz LTTYPTDYEVAMRC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864900 1276139155 /nfs/dbraw/zinc/13/91/55/1276139155.db2.gz ISEXSRDTNXRDQM-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991775 1276281109 /nfs/dbraw/zinc/28/11/09/1276281109.db2.gz JNROAYXBMHUTRW-RTBURBONSA-N 2 1 343.515 2.643 20 30 EFEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273145756 1276310734 /nfs/dbraw/zinc/31/07/34/1276310734.db2.gz YDIPSFLZILJVBQ-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964472 1276349437 /nfs/dbraw/zinc/34/94/37/1276349437.db2.gz XSXMOSGFJMDVHG-LJQANCHMSA-N 2 1 335.536 2.855 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086819956 1276501998 /nfs/dbraw/zinc/50/19/98/1276501998.db2.gz INRROSIAJIJJNJ-GVDBMIGSSA-N 2 1 341.927 2.876 20 30 EFEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873084 1276562040 /nfs/dbraw/zinc/56/20/40/1276562040.db2.gz JGPWFBJDKFGWKF-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929142 1287236601 /nfs/dbraw/zinc/23/66/01/1287236601.db2.gz ODNQFJOTRKDURM-NVXWUHKLSA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595813 1277979498 /nfs/dbraw/zinc/97/94/98/1277979498.db2.gz WCOZQYNFZRWGLZ-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595813 1277979506 /nfs/dbraw/zinc/97/95/06/1277979506.db2.gz WCOZQYNFZRWGLZ-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595813 1277979511 /nfs/dbraw/zinc/97/95/11/1277979511.db2.gz WCOZQYNFZRWGLZ-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595813 1277979518 /nfs/dbraw/zinc/97/95/18/1277979518.db2.gz WCOZQYNFZRWGLZ-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522454 1278015170 /nfs/dbraw/zinc/01/51/70/1278015170.db2.gz AHDLQKPYMWZRQQ-NQIIRXRSSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609506 1279182329 /nfs/dbraw/zinc/18/23/29/1279182329.db2.gz KAIHTUUDBGWHCL-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609506 1279182338 /nfs/dbraw/zinc/18/23/38/1279182338.db2.gz KAIHTUUDBGWHCL-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609506 1279182342 /nfs/dbraw/zinc/18/23/42/1279182342.db2.gz KAIHTUUDBGWHCL-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029771 1279357761 /nfs/dbraw/zinc/35/77/61/1279357761.db2.gz WLAJCEOCLHHNRQ-ADKAHSJRSA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273740 1287369602 /nfs/dbraw/zinc/36/96/02/1287369602.db2.gz VLKFHMACOURACB-SJLPKXTDSA-N 2 1 346.519 2.985 20 30 EFEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262667 1287384172 /nfs/dbraw/zinc/38/41/72/1287384172.db2.gz JMWAUZLXGFWQCF-CRAIPNDOSA-N 2 1 327.488 2.650 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001171212848 1280028855 /nfs/dbraw/zinc/02/88/55/1280028855.db2.gz QTHFYELYUGFICD-HNNXBMFYSA-N 2 1 347.422 2.780 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001171212848 1280028863 /nfs/dbraw/zinc/02/88/63/1280028863.db2.gz QTHFYELYUGFICD-HNNXBMFYSA-N 2 1 347.422 2.780 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262659 1280067505 /nfs/dbraw/zinc/06/75/05/1280067505.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 2 1 335.536 2.876 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001114262659 1280067511 /nfs/dbraw/zinc/06/75/11/1280067511.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 2 1 335.536 2.876 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001114262659 1280067517 /nfs/dbraw/zinc/06/75/17/1280067517.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 2 1 335.536 2.876 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304400 1280172836 /nfs/dbraw/zinc/17/28/36/1280172836.db2.gz QGKJHCXJIHRPCU-NTZUZEMLSA-N 2 1 335.536 2.734 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001114304400 1280172840 /nfs/dbraw/zinc/17/28/40/1280172840.db2.gz QGKJHCXJIHRPCU-NTZUZEMLSA-N 2 1 335.536 2.734 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114304400 1280172844 /nfs/dbraw/zinc/17/28/44/1280172844.db2.gz QGKJHCXJIHRPCU-NTZUZEMLSA-N 2 1 335.536 2.734 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086625120 1280343070 /nfs/dbraw/zinc/34/30/70/1280343070.db2.gz LVMHGOFOJUHBOC-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001086625120 1280343084 /nfs/dbraw/zinc/34/30/84/1280343084.db2.gz LVMHGOFOJUHBOC-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001086625120 1280343096 /nfs/dbraw/zinc/34/30/96/1280343096.db2.gz LVMHGOFOJUHBOC-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171245589 1280417145 /nfs/dbraw/zinc/41/71/45/1280417145.db2.gz ABLXGPODVAAZED-MJGOQNOKSA-N 2 1 333.520 2.681 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171245580 1280417450 /nfs/dbraw/zinc/41/74/50/1280417450.db2.gz ABLXGPODVAAZED-HKUYNNGSSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248318 1280440085 /nfs/dbraw/zinc/44/00/85/1280440085.db2.gz SHGATIPPONUNKD-GJZGRUSLSA-N 2 1 338.883 2.778 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171307983 1281192596 /nfs/dbraw/zinc/19/25/96/1281192596.db2.gz OADTWDNVLPBPKR-QUCCMNQESA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171307983 1281192601 /nfs/dbraw/zinc/19/26/01/1281192601.db2.gz OADTWDNVLPBPKR-QUCCMNQESA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658689 1281231893 /nfs/dbraw/zinc/23/18/93/1281231893.db2.gz XKRDTUXNJFHXDE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658689 1281231900 /nfs/dbraw/zinc/23/19/00/1281231900.db2.gz XKRDTUXNJFHXDE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658689 1281231903 /nfs/dbraw/zinc/23/19/03/1281231903.db2.gz XKRDTUXNJFHXDE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658690 1281232293 /nfs/dbraw/zinc/23/22/93/1281232293.db2.gz XKRDTUXNJFHXDE-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658690 1281232298 /nfs/dbraw/zinc/23/22/98/1281232298.db2.gz XKRDTUXNJFHXDE-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658690 1281232303 /nfs/dbraw/zinc/23/23/03/1281232303.db2.gz XKRDTUXNJFHXDE-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725026 1281248492 /nfs/dbraw/zinc/24/84/92/1281248492.db2.gz QLCQSFJCHQPWRF-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993656 1281395409 /nfs/dbraw/zinc/39/54/09/1281395409.db2.gz YTBAYONRVKPNPS-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291847 1281496687 /nfs/dbraw/zinc/49/66/87/1281496687.db2.gz DHBCFMDCNSNBBD-KRWDZBQOSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291847 1281496692 /nfs/dbraw/zinc/49/66/92/1281496692.db2.gz DHBCFMDCNSNBBD-KRWDZBQOSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315547 1281514975 /nfs/dbraw/zinc/51/49/75/1281514975.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315547 1281514983 /nfs/dbraw/zinc/51/49/83/1281514983.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315547 1281514989 /nfs/dbraw/zinc/51/49/89/1281514989.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604535 1281646483 /nfs/dbraw/zinc/64/64/83/1281646483.db2.gz IAXUVDHWDBNOKU-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604535 1281646492 /nfs/dbraw/zinc/64/64/92/1281646492.db2.gz IAXUVDHWDBNOKU-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604535 1281646503 /nfs/dbraw/zinc/64/65/03/1281646503.db2.gz IAXUVDHWDBNOKU-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148834051 1281760171 /nfs/dbraw/zinc/76/01/71/1281760171.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834051 1281760181 /nfs/dbraw/zinc/76/01/81/1281760181.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834051 1281760189 /nfs/dbraw/zinc/76/01/89/1281760189.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148834052 1281760472 /nfs/dbraw/zinc/76/04/72/1281760472.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834052 1281760477 /nfs/dbraw/zinc/76/04/77/1281760477.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148834052 1281760481 /nfs/dbraw/zinc/76/04/81/1281760481.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785802 1287528540 /nfs/dbraw/zinc/52/85/40/1287528540.db2.gz OHGNQOOCVKFTPT-OALUTQOASA-N 2 1 347.547 2.929 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927498 1281926773 /nfs/dbraw/zinc/92/67/73/1281926773.db2.gz DKVHQOYJTXLQSO-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086923798 1281937941 /nfs/dbraw/zinc/93/79/41/1281937941.db2.gz BNFOYHWOFIMKIA-RCCFBDPRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925477 1281944158 /nfs/dbraw/zinc/94/41/58/1281944158.db2.gz XZDSYEBCROCVLJ-FGTMMUONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925478 1281944914 /nfs/dbraw/zinc/94/49/14/1281944914.db2.gz XZDSYEBCROCVLJ-OKZBNKHCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938646 1281965190 /nfs/dbraw/zinc/96/51/90/1281965190.db2.gz WTBQOSCBKYERMB-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939719 1281966993 /nfs/dbraw/zinc/96/69/93/1281966993.db2.gz YDUMYGXAMNNUTD-BZSNNMDCSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928048 1281990054 /nfs/dbraw/zinc/99/00/54/1281990054.db2.gz UOIJZLNLDYAKSA-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086956972 1282027333 /nfs/dbraw/zinc/02/73/33/1282027333.db2.gz BOAAHYCGEWTLLL-KRWDZBQOSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776864 1282143200 /nfs/dbraw/zinc/14/32/00/1282143200.db2.gz OYVSQSDKKKMQCY-QUCCMNQESA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369149 /nfs/dbraw/zinc/36/91/49/1282369149.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369153 /nfs/dbraw/zinc/36/91/53/1282369153.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369161 /nfs/dbraw/zinc/36/91/61/1282369161.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092189773 1282448765 /nfs/dbraw/zinc/44/87/65/1282448765.db2.gz JHOICJUQFGGVNW-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189773 1282448773 /nfs/dbraw/zinc/44/87/73/1282448773.db2.gz JHOICJUQFGGVNW-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189773 1282448782 /nfs/dbraw/zinc/44/87/82/1282448782.db2.gz JHOICJUQFGGVNW-DYXWJJEUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092651547 1282881386 /nfs/dbraw/zinc/88/13/86/1282881386.db2.gz YDEHRDDQDHUXMR-GDBMZVCRSA-N 2 1 335.517 2.684 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676686 1282942625 /nfs/dbraw/zinc/94/26/25/1282942625.db2.gz IUMKRXHEDQGEMV-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676686 1282942639 /nfs/dbraw/zinc/94/26/39/1282942639.db2.gz IUMKRXHEDQGEMV-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676686 1282942650 /nfs/dbraw/zinc/94/26/50/1282942650.db2.gz IUMKRXHEDQGEMV-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183309 1283120883 /nfs/dbraw/zinc/12/08/83/1283120883.db2.gz MSNZPLUDTIXWNM-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183309 1283120887 /nfs/dbraw/zinc/12/08/87/1283120887.db2.gz MSNZPLUDTIXWNM-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175931029 1287620663 /nfs/dbraw/zinc/62/06/63/1287620663.db2.gz YNZAHQXADOMQJE-INIZCTEOSA-N 2 1 341.459 2.722 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717700 1283225062 /nfs/dbraw/zinc/22/50/62/1283225062.db2.gz ZUOWSADULDYTPZ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120801 1283263761 /nfs/dbraw/zinc/26/37/61/1283263761.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120801 1283263769 /nfs/dbraw/zinc/26/37/69/1283263769.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120801 1283263778 /nfs/dbraw/zinc/26/37/78/1283263778.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354672 1283381346 /nfs/dbraw/zinc/38/13/46/1283381346.db2.gz OBRSMCUXCXQDFN-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354672 1283381355 /nfs/dbraw/zinc/38/13/55/1283381355.db2.gz OBRSMCUXCXQDFN-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754288 1283419148 /nfs/dbraw/zinc/41/91/48/1283419148.db2.gz DIOPFNDXHCWDCI-LPHOPBHVSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754517 1283420628 /nfs/dbraw/zinc/42/06/28/1283420628.db2.gz HLXXQRWVHHNOLA-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754517 1283420632 /nfs/dbraw/zinc/42/06/32/1283420632.db2.gz HLXXQRWVHHNOLA-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754517 1283420638 /nfs/dbraw/zinc/42/06/38/1283420638.db2.gz HLXXQRWVHHNOLA-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419990 1283513166 /nfs/dbraw/zinc/51/31/66/1283513166.db2.gz LKISORJQMVJKLJ-MOPGFXCFSA-N 2 1 335.536 2.881 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420602 1283515237 /nfs/dbraw/zinc/51/52/37/1283515237.db2.gz VQXVWGSJIYBVQS-MOPGFXCFSA-N 2 1 335.536 2.881 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420603 1283516356 /nfs/dbraw/zinc/51/63/56/1283516356.db2.gz VQXVWGSJIYBVQS-OALUTQOASA-N 2 1 335.536 2.881 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426461 1283551748 /nfs/dbraw/zinc/55/17/48/1283551748.db2.gz XRVLHMCBPCUJDZ-QZTJIDSGSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426213 1283551761 /nfs/dbraw/zinc/55/17/61/1283551761.db2.gz UCMYZEWWHBITEM-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@H]21 ZINC001036779219 1283606318 /nfs/dbraw/zinc/60/63/18/1283606318.db2.gz GVHYQGSQDOHBGY-AZUAARDMSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793596 1283723726 /nfs/dbraw/zinc/72/37/26/1283723726.db2.gz HYXQXUGQVJKVJW-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC/C=C/CC)C2)CC1 ZINC001132518643 1283777467 /nfs/dbraw/zinc/77/74/67/1283777467.db2.gz MBUNGTBRALHSIV-KQPGTDLCSA-N 2 1 345.531 2.657 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093361538 1283784288 /nfs/dbraw/zinc/78/42/88/1283784288.db2.gz LPWXWOZHGXZKQG-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093361297 1283784359 /nfs/dbraw/zinc/78/43/59/1283784359.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093361297 1283784366 /nfs/dbraw/zinc/78/43/66/1283784366.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093361297 1283784371 /nfs/dbraw/zinc/78/43/71/1283784371.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371195 1283805373 /nfs/dbraw/zinc/80/53/73/1283805373.db2.gz LUUGOMDEGHQJFQ-OALUTQOASA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828159 /nfs/dbraw/zinc/82/81/59/1283828159.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828168 /nfs/dbraw/zinc/82/81/68/1283828168.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828183 /nfs/dbraw/zinc/82/81/83/1283828183.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382962 1283853885 /nfs/dbraw/zinc/85/38/85/1283853885.db2.gz GSDUEMLICBKITE-HXUWFJFHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093384018 1283857929 /nfs/dbraw/zinc/85/79/29/1283857929.db2.gz SOTJZGYQLBAIEJ-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093384018 1283857936 /nfs/dbraw/zinc/85/79/36/1283857936.db2.gz SOTJZGYQLBAIEJ-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093384018 1283857943 /nfs/dbraw/zinc/85/79/43/1283857943.db2.gz SOTJZGYQLBAIEJ-MOPGFXCFSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000815652177 1287671987 /nfs/dbraw/zinc/67/19/87/1287671987.db2.gz SDWCETOMVVVYDP-HNNXBMFYSA-N 2 1 325.456 2.579 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000815652177 1287671989 /nfs/dbraw/zinc/67/19/89/1287671989.db2.gz SDWCETOMVVVYDP-HNNXBMFYSA-N 2 1 325.456 2.579 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832564 1284137535 /nfs/dbraw/zinc/13/75/35/1284137535.db2.gz DYMCJTSGIBDHQL-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832564 1284137538 /nfs/dbraw/zinc/13/75/38/1284137538.db2.gz DYMCJTSGIBDHQL-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859152 1284336858 /nfs/dbraw/zinc/33/68/58/1284336858.db2.gz LALOSVSZXKMXMZ-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859153 1284337836 /nfs/dbraw/zinc/33/78/36/1284337836.db2.gz LALOSVSZXKMXMZ-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859933 1284339813 /nfs/dbraw/zinc/33/98/13/1284339813.db2.gz XXRUINQCAOFYEP-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696378 1284439818 /nfs/dbraw/zinc/43/98/18/1284439818.db2.gz HLQZSTJUSMFWRS-OKZBNKHCSA-N 2 1 333.520 2.702 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941006 1284497541 /nfs/dbraw/zinc/49/75/41/1284497541.db2.gz DJDBFTLZJUQLBD-MSOLQXFVSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011374 1284654519 /nfs/dbraw/zinc/65/45/19/1284654519.db2.gz JAIRYHMTISVKMN-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012442 1284655557 /nfs/dbraw/zinc/65/55/57/1284655557.db2.gz QZWAICLMEDPFQZ-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120804 1284829108 /nfs/dbraw/zinc/82/91/08/1284829108.db2.gz BHDWQDRPFDBMOV-GDBMZVCRSA-N 2 1 343.943 2.791 20 30 EFEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121976 1284832532 /nfs/dbraw/zinc/83/25/32/1284832532.db2.gz NCNQZMJGAYCEED-MSOLQXFVSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413621 1285036977 /nfs/dbraw/zinc/03/69/77/1285036977.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413621 1285036982 /nfs/dbraw/zinc/03/69/82/1285036982.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413621 1285036989 /nfs/dbraw/zinc/03/69/89/1285036989.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094420834 1285051507 /nfs/dbraw/zinc/05/15/07/1285051507.db2.gz DDMYQIAHZWVMBH-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094420834 1285051513 /nfs/dbraw/zinc/05/15/13/1285051513.db2.gz DDMYQIAHZWVMBH-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094420834 1285051524 /nfs/dbraw/zinc/05/15/24/1285051524.db2.gz DDMYQIAHZWVMBH-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432880 1285076231 /nfs/dbraw/zinc/07/62/31/1285076231.db2.gz FZIBZCKLGJFLQR-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432880 1285076241 /nfs/dbraw/zinc/07/62/41/1285076241.db2.gz FZIBZCKLGJFLQR-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432880 1285076253 /nfs/dbraw/zinc/07/62/53/1285076253.db2.gz FZIBZCKLGJFLQR-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432881 1285077022 /nfs/dbraw/zinc/07/70/22/1285077022.db2.gz FZIBZCKLGJFLQR-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432881 1285077029 /nfs/dbraw/zinc/07/70/29/1285077029.db2.gz FZIBZCKLGJFLQR-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432881 1285077036 /nfs/dbraw/zinc/07/70/36/1285077036.db2.gz FZIBZCKLGJFLQR-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254665 /nfs/dbraw/zinc/25/46/65/1285254665.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254676 /nfs/dbraw/zinc/25/46/76/1285254676.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254686 /nfs/dbraw/zinc/25/46/86/1285254686.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361064 1285259640 /nfs/dbraw/zinc/25/96/40/1285259640.db2.gz SAFJLUXJSSSEPA-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361064 1285259653 /nfs/dbraw/zinc/25/96/53/1285259653.db2.gz SAFJLUXJSSSEPA-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001133392825 1285334597 /nfs/dbraw/zinc/33/45/97/1285334597.db2.gz PFYBRAHWIIQVPY-GOSISDBHSA-N 2 1 349.906 2.929 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557388 1285371370 /nfs/dbraw/zinc/37/13/70/1285371370.db2.gz VMUSAQZGYJSWIF-TZIWHRDSSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904108 1285391775 /nfs/dbraw/zinc/39/17/75/1285391775.db2.gz MQXHLORBNZFBRD-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160190 1285437056 /nfs/dbraw/zinc/43/70/56/1285437056.db2.gz DOELDQCVINKMEF-XWSJACJDSA-N 2 1 327.472 2.587 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160190 1285437069 /nfs/dbraw/zinc/43/70/69/1285437069.db2.gz DOELDQCVINKMEF-XWSJACJDSA-N 2 1 327.472 2.587 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033425 1289029821 /nfs/dbraw/zinc/02/98/21/1289029821.db2.gz MBKOGJLDFVDQBH-UHFFFAOYSA-N 2 1 346.519 2.994 20 30 EFEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158948990 1285809487 /nfs/dbraw/zinc/80/94/87/1285809487.db2.gz CPAHWSZJUURXDL-LJQANCHMSA-N 2 1 333.520 2.589 20 30 EFEDMP C=CCCCCC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856615 1286031457 /nfs/dbraw/zinc/03/14/57/1286031457.db2.gz LITMJDMAQWHRHT-SFHVURJKSA-N 2 1 327.488 2.651 20 30 EFEDMP C[C@H](CCCC#N)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001172488943 1286168208 /nfs/dbraw/zinc/16/82/08/1286168208.db2.gz OCWBCZKPBDNRHS-AEFFLSMTSA-N 2 1 331.460 2.899 20 30 EFEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172497363 1286172039 /nfs/dbraw/zinc/17/20/39/1286172039.db2.gz BHSHMKHWWURHFV-MISYRCLQSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172497363 1286172045 /nfs/dbraw/zinc/17/20/45/1286172045.db2.gz BHSHMKHWWURHFV-MISYRCLQSA-N 2 1 342.487 2.687 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086721126 1286586976 /nfs/dbraw/zinc/58/69/76/1286586976.db2.gz HTQSQPLNKLWZNW-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086721126 1286586983 /nfs/dbraw/zinc/58/69/83/1286586983.db2.gz HTQSQPLNKLWZNW-ZCNNSNEGSA-N 2 1 345.531 2.539 20 30 EFEDMP CN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584916 1286707902 /nfs/dbraw/zinc/70/79/02/1286707902.db2.gz RAFQKYTUEOKVBE-UHFFFAOYSA-N 2 1 340.515 2.996 20 30 EFEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362049 1289125427 /nfs/dbraw/zinc/12/54/27/1289125427.db2.gz VCCQCPGBDDQTAZ-LJQANCHMSA-N 2 1 333.520 2.683 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396153 1289121250 /nfs/dbraw/zinc/12/12/50/1289121250.db2.gz ZANKFXXTGILVTR-GOSISDBHSA-N 2 1 346.519 2.986 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772760 1287169831 /nfs/dbraw/zinc/16/98/31/1287169831.db2.gz HJQWLZDMYBWAIL-ZWKOTPCHSA-N 2 1 343.515 2.641 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284391 1287922974 /nfs/dbraw/zinc/92/29/74/1287922974.db2.gz FQMPHSQXBUPJSZ-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820609 1288135577 /nfs/dbraw/zinc/13/55/77/1288135577.db2.gz RURYNWVJDQWVDA-GOSISDBHSA-N 2 1 331.504 2.959 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820609 1288135581 /nfs/dbraw/zinc/13/55/81/1288135581.db2.gz RURYNWVJDQWVDA-GOSISDBHSA-N 2 1 331.504 2.959 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785652 1288367869 /nfs/dbraw/zinc/36/78/69/1288367869.db2.gz ZWDFXKFQYJOKSR-CVEARBPZSA-N 2 1 341.459 2.720 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001177339451 1288397780 /nfs/dbraw/zinc/39/77/80/1288397780.db2.gz GSMGUGJKIVCPNG-HXUWFJFHSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC(=C)C)CC1CCCC1 ZINC001177341831 1288400582 /nfs/dbraw/zinc/40/05/82/1288400582.db2.gz CPQFUKHXBPGWEC-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC(=C)C)CC1CCCC1 ZINC001177341831 1288400585 /nfs/dbraw/zinc/40/05/85/1288400585.db2.gz CPQFUKHXBPGWEC-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177467261 1288431694 /nfs/dbraw/zinc/43/16/94/1288431694.db2.gz YPVDFNVOXHESLD-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477256 1288463383 /nfs/dbraw/zinc/46/33/83/1288463383.db2.gz BCBPGUOQKYDTJQ-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178722938 1288868146 /nfs/dbraw/zinc/86/81/46/1288868146.db2.gz WTHMEOLPUQETQI-IBGZPJMESA-N 2 1 347.547 2.786 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178722938 1288868151 /nfs/dbraw/zinc/86/81/51/1288868151.db2.gz WTHMEOLPUQETQI-IBGZPJMESA-N 2 1 347.547 2.786 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693248 1288872859 /nfs/dbraw/zinc/87/28/59/1288872859.db2.gz MPJUDMVJUSGXTF-IBGZPJMESA-N 2 1 333.520 2.683 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178693180 1288873591 /nfs/dbraw/zinc/87/35/91/1288873591.db2.gz JUUSWDVXKZCPMO-HNNXBMFYSA-N 2 1 338.883 2.779 20 30 EFEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707469 1288880223 /nfs/dbraw/zinc/88/02/23/1288880223.db2.gz HEAPDMURAJPCOO-SCTDSRPQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179590947 1289192299 /nfs/dbraw/zinc/19/22/99/1289192299.db2.gz MOXMNCHIGYFINT-UHFFFAOYSA-N 2 1 329.916 2.737 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719825 1289244428 /nfs/dbraw/zinc/24/44/28/1289244428.db2.gz PWVGTSUZDOBLKT-BQFCYCMXSA-N 2 1 332.492 2.905 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001180035876 1289391666 /nfs/dbraw/zinc/39/16/66/1289391666.db2.gz YAJGTRFQXUXRCL-LJQANCHMSA-N 2 1 335.536 2.931 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)CCC=C)C1 ZINC001181763218 1289932716 /nfs/dbraw/zinc/93/27/16/1289932716.db2.gz CQEDYGAEOOVNIS-XODKDNOYSA-N 2 1 345.531 2.513 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)CCC=C)C1 ZINC001181763218 1289932720 /nfs/dbraw/zinc/93/27/20/1289932720.db2.gz CQEDYGAEOOVNIS-XODKDNOYSA-N 2 1 345.531 2.513 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CCN(c2cc[nH+]cc2)CC3)cc1C#N ZINC001277693102 1312748806 /nfs/dbraw/zinc/74/88/06/1312748806.db2.gz DWOUDQJQYMWJGU-UHFFFAOYSA-N 2 1 335.455 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941211 1290006733 /nfs/dbraw/zinc/00/67/33/1290006733.db2.gz BOZKKWYCUIODSA-CXAGYDPISA-N 2 1 329.916 2.543 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000885 1290036152 /nfs/dbraw/zinc/03/61/52/1290036152.db2.gz GPCIGJCGKWSBQC-QWFCFKBJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001182301102 1290156619 /nfs/dbraw/zinc/15/66/19/1290156619.db2.gz QYBNAFKGIRWMSI-DOADOZAASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202539668 1290235015 /nfs/dbraw/zinc/23/50/15/1290235015.db2.gz QKLTZOZHEQBMDY-UHFFFAOYSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516958 1290352966 /nfs/dbraw/zinc/35/29/66/1290352966.db2.gz HKPYHIBHNAFVKQ-YFVAEKQCSA-N 2 1 343.515 2.940 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683275 1290499378 /nfs/dbraw/zinc/49/93/78/1290499378.db2.gz HFGUTACCTOIIMX-ROUUACIJSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892113 1290538926 /nfs/dbraw/zinc/53/89/26/1290538926.db2.gz NCFZECPDRPXKCX-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001232843313 1312793872 /nfs/dbraw/zinc/79/38/72/1312793872.db2.gz VPWMYMMOHPQMCN-SJORKVTESA-N 2 1 338.480 2.969 20 30 EFEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001232843313 1312793876 /nfs/dbraw/zinc/79/38/76/1312793876.db2.gz VPWMYMMOHPQMCN-SJORKVTESA-N 2 1 338.480 2.969 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001232843313 1312793880 /nfs/dbraw/zinc/79/38/80/1312793880.db2.gz VPWMYMMOHPQMCN-SJORKVTESA-N 2 1 338.480 2.969 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001232843313 1312793883 /nfs/dbraw/zinc/79/38/83/1312793883.db2.gz VPWMYMMOHPQMCN-SJORKVTESA-N 2 1 338.480 2.969 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171193 1290608248 /nfs/dbraw/zinc/60/82/48/1290608248.db2.gz URRUGMYBWVEPTA-GOEBONIOSA-N 2 1 343.943 2.791 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171195 1290609375 /nfs/dbraw/zinc/60/93/75/1290609375.db2.gz URRUGMYBWVEPTA-HOCLYGCPSA-N 2 1 343.943 2.791 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000876709438 1290986430 /nfs/dbraw/zinc/98/64/30/1290986430.db2.gz RGSKVQFZRWLKIS-KGLIPLIRSA-N 2 1 330.259 2.529 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597074 1290995250 /nfs/dbraw/zinc/99/52/50/1290995250.db2.gz FEHVJYQBFWQLTJ-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233036 1291062242 /nfs/dbraw/zinc/06/22/42/1291062242.db2.gz ZHIZPRWGJKTWGV-MOPGFXCFSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751520 1312835344 /nfs/dbraw/zinc/83/53/44/1312835344.db2.gz UMTCTNOOFBLZDJ-SFHVURJKSA-N 2 1 331.504 2.612 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793276 1312843088 /nfs/dbraw/zinc/84/30/88/1312843088.db2.gz HRHBYMDONLKOPY-GOSISDBHSA-N 2 1 335.536 2.951 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793045 1312843402 /nfs/dbraw/zinc/84/34/02/1312843402.db2.gz CDQVNYWDBPOIER-GOSISDBHSA-N 2 1 335.536 2.951 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944690 1291270344 /nfs/dbraw/zinc/27/03/44/1291270344.db2.gz NZHLNCGIASGVMY-SLFFLAALSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219496 1291344832 /nfs/dbraw/zinc/34/48/32/1291344832.db2.gz QGMNRUCAGOMSRP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219496 1291344843 /nfs/dbraw/zinc/34/48/43/1291344843.db2.gz QGMNRUCAGOMSRP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219496 1291344853 /nfs/dbraw/zinc/34/48/53/1291344853.db2.gz QGMNRUCAGOMSRP-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188330947 1291370917 /nfs/dbraw/zinc/37/09/17/1291370917.db2.gz MDSNGWSIJUCBGD-FQEVSTJZSA-N 2 1 341.499 2.876 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166841993 1312851593 /nfs/dbraw/zinc/85/15/93/1312851593.db2.gz GRJVEMYYXJIELW-SQNIBIBYSA-N 2 1 335.536 2.948 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001233081834 1312851737 /nfs/dbraw/zinc/85/17/37/1312851737.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 1 332.451 2.826 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931639 1291517120 /nfs/dbraw/zinc/51/71/20/1291517120.db2.gz IBANUXYQXVWTPG-LWYYNNOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931639 1291517123 /nfs/dbraw/zinc/51/71/23/1291517123.db2.gz IBANUXYQXVWTPG-LWYYNNOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931639 1291517130 /nfs/dbraw/zinc/51/71/30/1291517130.db2.gz IBANUXYQXVWTPG-LWYYNNOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433637 1291724935 /nfs/dbraw/zinc/72/49/35/1291724935.db2.gz UHHCCAMEPNVKNI-NZSAHSFTSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433637 1291724944 /nfs/dbraw/zinc/72/49/44/1291724944.db2.gz UHHCCAMEPNVKNI-NZSAHSFTSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000957559091 1291764013 /nfs/dbraw/zinc/76/40/13/1291764013.db2.gz AVWSHVHLEHHJJJ-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000957559092 1291764478 /nfs/dbraw/zinc/76/44/78/1291764478.db2.gz AVWSHVHLEHHJJJ-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568860 1291781145 /nfs/dbraw/zinc/78/11/45/1291781145.db2.gz RQBJRETUMWHHEW-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611743 1312880891 /nfs/dbraw/zinc/88/08/91/1312880891.db2.gz FSRBFKLECKKBRD-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592087 1291827504 /nfs/dbraw/zinc/82/75/04/1291827504.db2.gz KMMFVTQALNLZPE-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016616187 1312883265 /nfs/dbraw/zinc/88/32/65/1312883265.db2.gz AHFSUCJCIDZMKK-HOTGVXAUSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603213 1291855582 /nfs/dbraw/zinc/85/55/82/1291855582.db2.gz OKXDVONYGIVSLR-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623781 1312887453 /nfs/dbraw/zinc/88/74/53/1312887453.db2.gz GJEVNVXWJXYUTD-PKOBYXMFSA-N 2 1 345.531 2.798 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802348 1291894397 /nfs/dbraw/zinc/89/43/97/1291894397.db2.gz WALMFLLOWJPUQC-ZWKOTPCHSA-N 2 1 333.520 2.585 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049466106 1312890185 /nfs/dbraw/zinc/89/01/85/1312890185.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049466106 1312890189 /nfs/dbraw/zinc/89/01/89/1312890189.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049466106 1312890194 /nfs/dbraw/zinc/89/01/94/1312890194.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647413 1291959519 /nfs/dbraw/zinc/95/95/19/1291959519.db2.gz GXVVPUAOOMMNDP-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647412 1291959649 /nfs/dbraw/zinc/95/96/49/1291959649.db2.gz GXVVPUAOOMMNDP-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176694 1292043693 /nfs/dbraw/zinc/04/36/93/1292043693.db2.gz OOPJZDDDUYRGAM-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190176694 1292043701 /nfs/dbraw/zinc/04/37/01/1292043701.db2.gz OOPJZDDDUYRGAM-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190176694 1292043712 /nfs/dbraw/zinc/04/37/12/1292043712.db2.gz OOPJZDDDUYRGAM-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178020 1292045333 /nfs/dbraw/zinc/04/53/33/1292045333.db2.gz UQGSMBLUQJRAMB-ZWKOTPCHSA-N 2 1 332.492 2.695 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178020 1292045337 /nfs/dbraw/zinc/04/53/37/1292045337.db2.gz UQGSMBLUQJRAMB-ZWKOTPCHSA-N 2 1 332.492 2.695 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221810 1292050205 /nfs/dbraw/zinc/05/02/05/1292050205.db2.gz ONWWSALDZWQMFM-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212424 1292068866 /nfs/dbraw/zinc/06/88/66/1292068866.db2.gz BSXVSGGYAOYEOX-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247840 1292079356 /nfs/dbraw/zinc/07/93/56/1292079356.db2.gz UAKURXJHLCLPSX-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247840 1292079365 /nfs/dbraw/zinc/07/93/65/1292079365.db2.gz UAKURXJHLCLPSX-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652335 1312904413 /nfs/dbraw/zinc/90/44/13/1312904413.db2.gz RWXJXOPWRNQTJR-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652519 1312905552 /nfs/dbraw/zinc/90/55/52/1312905552.db2.gz SUQUXACUIBFBQB-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478501 1312906944 /nfs/dbraw/zinc/90/69/44/1312906944.db2.gz PBIIZTWSGNABFU-MSOLQXFVSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663846 1312912293 /nfs/dbraw/zinc/91/22/93/1312912293.db2.gz UXJOHRKJVSZQMP-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000957870439 1292315194 /nfs/dbraw/zinc/31/51/94/1292315194.db2.gz FIUUGUBSDNDOLE-UHFFFAOYSA-N 2 1 333.476 2.845 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001190900124 1292346477 /nfs/dbraw/zinc/34/64/77/1292346477.db2.gz OCMZRYQYACEUPC-IAGOWNOFSA-N 2 1 332.492 2.814 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001191010828 1292423499 /nfs/dbraw/zinc/42/34/99/1292423499.db2.gz QSRYIZWKAWNOQJ-QZTJIDSGSA-N 2 1 346.519 2.949 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451045 1312927563 /nfs/dbraw/zinc/92/75/63/1312927563.db2.gz HUINETHUMIDDHA-IAGOWNOFSA-N 2 1 344.503 2.990 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203452839 1312928367 /nfs/dbraw/zinc/92/83/67/1312928367.db2.gz QJZNDGLNPQUBFQ-IRXDYDNUSA-N 2 1 344.503 2.990 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493810 1312938306 /nfs/dbraw/zinc/93/83/06/1312938306.db2.gz XANSFGLUGMIRLB-MSOLQXFVSA-N 2 1 344.503 2.955 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509451 1312942386 /nfs/dbraw/zinc/94/23/86/1312942386.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509451 1312942389 /nfs/dbraw/zinc/94/23/89/1312942389.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509451 1312942392 /nfs/dbraw/zinc/94/23/92/1312942392.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509865 1312943391 /nfs/dbraw/zinc/94/33/91/1312943391.db2.gz AIQYFTMJLZKCBC-SJORKVTESA-N 2 1 345.512 2.512 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509865 1312943395 /nfs/dbraw/zinc/94/33/95/1312943395.db2.gz AIQYFTMJLZKCBC-SJORKVTESA-N 2 1 345.512 2.512 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC(NC)=[NH+]C)c1ccc(C(F)(F)F)cc1 ZINC000303267429 1292918862 /nfs/dbraw/zinc/91/88/62/1292918862.db2.gz XGQQFTGNQXUJGG-AWEZNQCLSA-N 2 1 330.398 2.883 20 30 EFEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129784576 1293272556 /nfs/dbraw/zinc/27/25/56/1293272556.db2.gz QPXMHAMSXCXMNK-QWHCGFSZSA-N 2 1 349.548 2.731 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193425120 1293303710 /nfs/dbraw/zinc/30/37/10/1293303710.db2.gz SWAYNFXKPCSEKA-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425120 1293303719 /nfs/dbraw/zinc/30/37/19/1293303719.db2.gz SWAYNFXKPCSEKA-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425120 1293303726 /nfs/dbraw/zinc/30/37/26/1293303726.db2.gz SWAYNFXKPCSEKA-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001193463719 1293312161 /nfs/dbraw/zinc/31/21/61/1293312161.db2.gz XLJDDDZQZCFSQI-MRXNPFEDSA-N 2 1 332.492 2.966 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498019 1293325425 /nfs/dbraw/zinc/32/54/25/1293325425.db2.gz FDJAUFBTVLGHBQ-CVEARBPZSA-N 2 1 330.476 2.649 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000883131272 1293473817 /nfs/dbraw/zinc/47/38/17/1293473817.db2.gz TVQOAVPHRWWILE-UHFFFAOYSA-N 2 1 325.250 2.508 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCCCC=C)C2)CC1 ZINC001194245998 1293568474 /nfs/dbraw/zinc/56/84/74/1293568474.db2.gz IQHYURVQKDOUCY-FQEVSTJZSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862015 1313015551 /nfs/dbraw/zinc/01/55/51/1313015551.db2.gz RQFNWKIYXGZAHC-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563786 1313022982 /nfs/dbraw/zinc/02/29/82/1313022982.db2.gz DKKXUZHDSCGXKG-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563786 1313022985 /nfs/dbraw/zinc/02/29/85/1313022985.db2.gz DKKXUZHDSCGXKG-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563786 1313022988 /nfs/dbraw/zinc/02/29/88/1313022988.db2.gz DKKXUZHDSCGXKG-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563787 1313023537 /nfs/dbraw/zinc/02/35/37/1313023537.db2.gz DKKXUZHDSCGXKG-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563787 1313023541 /nfs/dbraw/zinc/02/35/41/1313023541.db2.gz DKKXUZHDSCGXKG-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563787 1313023545 /nfs/dbraw/zinc/02/35/45/1313023545.db2.gz DKKXUZHDSCGXKG-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565662 1313025411 /nfs/dbraw/zinc/02/54/11/1313025411.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565662 1313025415 /nfs/dbraw/zinc/02/54/15/1313025415.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565662 1313025418 /nfs/dbraw/zinc/02/54/18/1313025418.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922477 1313044368 /nfs/dbraw/zinc/04/43/68/1313044368.db2.gz DIKIUFWZQYWOCS-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922802 1313044407 /nfs/dbraw/zinc/04/44/07/1313044407.db2.gz GTHPZZIQDRQFFW-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924772 1313044885 /nfs/dbraw/zinc/04/48/85/1313044885.db2.gz YWNWLJBXYAZZAT-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203905201 1313044968 /nfs/dbraw/zinc/04/49/68/1313044968.db2.gz VXSAXVDQYZQWGE-UHFFFAOYSA-N 2 1 328.504 2.798 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196024902 1294109039 /nfs/dbraw/zinc/10/90/39/1294109039.db2.gz KQEISLILGCQSKL-SFHVURJKSA-N 2 1 341.515 2.947 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196026119 1294110892 /nfs/dbraw/zinc/11/08/92/1294110892.db2.gz ZKTXPBOWCSXNRZ-SJORKVTESA-N 2 1 327.488 2.555 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001196339699 1294203051 /nfs/dbraw/zinc/20/30/51/1294203051.db2.gz BWFKYWLAFWUBHI-GOSISDBHSA-N 2 1 344.503 2.726 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367308 1294229350 /nfs/dbraw/zinc/22/93/50/1294229350.db2.gz WYBRCRFSNHQPHV-GOSISDBHSA-N 2 1 344.503 2.797 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001196507806 1294263345 /nfs/dbraw/zinc/26/33/45/1294263345.db2.gz QOEOHAIDZPKCSU-INIZCTEOSA-N 2 1 326.444 2.837 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619844 1294308246 /nfs/dbraw/zinc/30/82/46/1294308246.db2.gz NFUPYJWBTYPOEN-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619842 1294308443 /nfs/dbraw/zinc/30/84/43/1294308443.db2.gz NFUPYJWBTYPOEN-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983477 1313071196 /nfs/dbraw/zinc/07/11/96/1313071196.db2.gz TZYOPHVPVHMRJY-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985951 1313072860 /nfs/dbraw/zinc/07/28/60/1313072860.db2.gz NFEDLFOIRMYEJF-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001197171719 1294473222 /nfs/dbraw/zinc/47/32/22/1294473222.db2.gz AQFMOAHWXRYOOE-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001197171719 1294473224 /nfs/dbraw/zinc/47/32/24/1294473224.db2.gz AQFMOAHWXRYOOE-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197171719 1294473227 /nfs/dbraw/zinc/47/32/27/1294473227.db2.gz AQFMOAHWXRYOOE-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197171719 1294473228 /nfs/dbraw/zinc/47/32/28/1294473228.db2.gz AQFMOAHWXRYOOE-UHFFFAOYSA-N 2 1 343.515 2.661 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000303782474 1294579993 /nfs/dbraw/zinc/57/99/93/1294579993.db2.gz NGZPEXVSPUXGTD-VQIMIIECSA-N 2 1 344.503 2.879 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000303786567 1294580977 /nfs/dbraw/zinc/58/09/77/1294580977.db2.gz ROBYERZYQPAGTP-QGZVFWFLSA-N 2 1 332.492 2.925 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785481 1294581495 /nfs/dbraw/zinc/58/14/95/1294581495.db2.gz QMHRNOATTWJAQR-CQSZACIVSA-N 2 1 328.382 2.594 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCCC2)cc1 ZINC000303789320 1294581594 /nfs/dbraw/zinc/58/15/94/1294581594.db2.gz VFYVLEMIIXSEGX-IBGZPJMESA-N 2 1 344.503 2.927 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000303792124 1294582832 /nfs/dbraw/zinc/58/28/32/1294582832.db2.gz YCXCADMIAGFROJ-WMZOPIPTSA-N 2 1 344.503 2.879 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000303881944 1294597583 /nfs/dbraw/zinc/59/75/83/1294597583.db2.gz HYBQWMZISHJDAB-UONOGXRCSA-N 2 1 334.464 2.551 20 30 EFEDMP CCCCOc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000303882403 1294598069 /nfs/dbraw/zinc/59/80/69/1294598069.db2.gz IAJQPQNALXCRPW-QGZVFWFLSA-N 2 1 332.492 2.754 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000303893010 1294599134 /nfs/dbraw/zinc/59/91/34/1294599134.db2.gz NZHDDPJUCHFZMF-KBPBESRZSA-N 2 1 334.464 2.693 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000303907947 1294600612 /nfs/dbraw/zinc/60/06/12/1294600612.db2.gz XGJDSBPCIAMAHQ-UONOGXRCSA-N 2 1 334.464 2.693 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303973797 1294614660 /nfs/dbraw/zinc/61/46/60/1294614660.db2.gz HGJWEXAHXRUBCZ-KRWDZBQOSA-N 2 1 345.535 2.954 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000303973797 1294614669 /nfs/dbraw/zinc/61/46/69/1294614669.db2.gz HGJWEXAHXRUBCZ-KRWDZBQOSA-N 2 1 345.535 2.954 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000303973797 1294614680 /nfs/dbraw/zinc/61/46/80/1294614680.db2.gz HGJWEXAHXRUBCZ-KRWDZBQOSA-N 2 1 345.535 2.954 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC001198236519 1294949621 /nfs/dbraw/zinc/94/96/21/1294949621.db2.gz NIBKHPBSCLSZOV-IBGZPJMESA-N 2 1 347.547 2.548 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403785 1313120269 /nfs/dbraw/zinc/12/02/69/1313120269.db2.gz ZFRFJLXYAIPXQV-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403785 1313120271 /nfs/dbraw/zinc/12/02/71/1313120271.db2.gz ZFRFJLXYAIPXQV-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198776763 1295246834 /nfs/dbraw/zinc/24/68/34/1295246834.db2.gz UFWUFGUJFKOEPF-MSOLQXFVSA-N 2 1 345.487 2.503 20 30 EFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304484575 1295662011 /nfs/dbraw/zinc/66/20/11/1295662011.db2.gz KVHJVRVKCLEMMB-JZXOWHBKSA-N 2 1 344.503 2.783 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642116 1313175946 /nfs/dbraw/zinc/17/59/46/1313175946.db2.gz HFWIIYJYXLOVPR-ROUUACIJSA-N 2 1 341.515 2.945 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000104162745 1295732324 /nfs/dbraw/zinc/73/23/24/1295732324.db2.gz GTAOOCKYQRLUFM-QGZVFWFLSA-N 2 1 346.519 2.892 20 30 EFEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)C[C@H](C)O1 ZINC000304715896 1295733267 /nfs/dbraw/zinc/73/32/67/1295733267.db2.gz ZVHXYUWGHKNPDW-IYBDPMFKSA-N 2 1 344.503 2.791 20 30 EFEDMP CCc1cccc2c(CCNC(=[NH2+])NC[C@@H]3CCC[N@@H+]3CC)c[nH]c21 ZINC000304740481 1295747187 /nfs/dbraw/zinc/74/71/87/1295747187.db2.gz BQNYIJRYKHVLEM-KRWDZBQOSA-N 2 1 341.503 2.661 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755678 1295750475 /nfs/dbraw/zinc/75/04/75/1295750475.db2.gz NAEIWABKAMROPI-SFHVURJKSA-N 2 1 346.519 2.653 20 30 EFEDMP N#Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275028229 1296222143 /nfs/dbraw/zinc/22/21/43/1296222143.db2.gz YMCPWUAVRJQGOC-UHFFFAOYSA-N 2 1 335.455 2.769 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959916118 1296233498 /nfs/dbraw/zinc/23/34/98/1296233498.db2.gz UPECXQIDFMUZIS-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959916118 1296233509 /nfs/dbraw/zinc/23/35/09/1296233509.db2.gz UPECXQIDFMUZIS-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959916118 1296233523 /nfs/dbraw/zinc/23/35/23/1296233523.db2.gz UPECXQIDFMUZIS-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132388 1296235209 /nfs/dbraw/zinc/23/52/09/1296235209.db2.gz RIHBSYHIUCOLHT-QFIPXVFZSA-N 2 1 339.527 2.908 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327403 1296259117 /nfs/dbraw/zinc/25/91/17/1296259117.db2.gz QZPPALGLQANGPE-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327403 1296259125 /nfs/dbraw/zinc/25/91/25/1296259125.db2.gz QZPPALGLQANGPE-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321430 /nfs/dbraw/zinc/32/14/30/1296321430.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 2 1 335.455 2.625 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321445 /nfs/dbraw/zinc/32/14/45/1296321445.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 2 1 335.455 2.625 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321462 /nfs/dbraw/zinc/32/14/62/1296321462.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 2 1 335.455 2.625 20 30 EFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001275969019 1296464160 /nfs/dbraw/zinc/46/41/60/1296464160.db2.gz WYYCKFMHDJGNBJ-NRFANRHFSA-N 2 1 340.515 2.798 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053621 1296568018 /nfs/dbraw/zinc/56/80/18/1296568018.db2.gz VAQDNBDBWXBNBS-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767107 1313277133 /nfs/dbraw/zinc/27/71/33/1313277133.db2.gz NNVXLKFUZKMTCF-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768215 1313278870 /nfs/dbraw/zinc/27/88/70/1313278870.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768215 1313278873 /nfs/dbraw/zinc/27/88/73/1313278873.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768215 1313278876 /nfs/dbraw/zinc/27/88/76/1313278876.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235279151 1313280885 /nfs/dbraw/zinc/28/08/85/1313280885.db2.gz YRDBBGXAGKQXET-HZPDHXFCSA-N 2 1 348.409 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235279151 1313280888 /nfs/dbraw/zinc/28/08/88/1313280888.db2.gz YRDBBGXAGKQXET-HZPDHXFCSA-N 2 1 348.409 2.750 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000960335247 1296761945 /nfs/dbraw/zinc/76/19/45/1296761945.db2.gz VZDABSGUNORPKE-VAMGGRTRSA-N 2 1 341.499 2.809 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518773 1313303848 /nfs/dbraw/zinc/30/38/48/1313303848.db2.gz KNYDOGSXJLCLTM-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518882 1313304275 /nfs/dbraw/zinc/30/42/75/1313304275.db2.gz NYSNSOKUARSJME-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518884 1313304423 /nfs/dbraw/zinc/30/44/23/1313304423.db2.gz NYSNSOKUARSJME-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205558883 1313312855 /nfs/dbraw/zinc/31/28/55/1313312855.db2.gz KYTCHXLRDHYSFJ-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593550 1313319559 /nfs/dbraw/zinc/31/95/59/1313319559.db2.gz BJJYZRAXAHPOFG-LJQANCHMSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569615 1297038667 /nfs/dbraw/zinc/03/86/67/1297038667.db2.gz TVKURWCXSXZLRY-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678638 1313336424 /nfs/dbraw/zinc/33/64/24/1313336424.db2.gz NEEVXAXAQLPYFN-PKOBYXMFSA-N 2 1 347.478 2.628 20 30 EFEDMP N#CCCCC[N@@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337851 /nfs/dbraw/zinc/33/78/51/1313337851.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 1 328.460 2.769 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631510 1313362814 /nfs/dbraw/zinc/36/28/14/1313362814.db2.gz ADFNCUCQJYTCLY-MSOLQXFVSA-N 2 1 332.492 2.969 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835221 1313364895 /nfs/dbraw/zinc/36/48/95/1313364895.db2.gz GZYAILORYIFBPE-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835221 1313364898 /nfs/dbraw/zinc/36/48/98/1313364898.db2.gz GZYAILORYIFBPE-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835221 1313364902 /nfs/dbraw/zinc/36/49/02/1313364902.db2.gz GZYAILORYIFBPE-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049837739 1313368660 /nfs/dbraw/zinc/36/86/60/1313368660.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837739 1313368665 /nfs/dbraw/zinc/36/86/65/1313368665.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837739 1313368669 /nfs/dbraw/zinc/36/86/69/1313368669.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839181 1313368977 /nfs/dbraw/zinc/36/89/77/1313368977.db2.gz BVGCELJMDDDTHF-PMACEKPBSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578403 1297316127 /nfs/dbraw/zinc/31/61/27/1297316127.db2.gz FMMKGDKNYZNUKD-HZMVEIRTSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578403 1297316138 /nfs/dbraw/zinc/31/61/38/1297316138.db2.gz FMMKGDKNYZNUKD-HZMVEIRTSA-N 2 1 330.476 2.694 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960676470 1297410002 /nfs/dbraw/zinc/41/00/02/1297410002.db2.gz NKFQXCVAPOOXCV-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960676470 1297410011 /nfs/dbraw/zinc/41/00/11/1297410011.db2.gz NKFQXCVAPOOXCV-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960676470 1297410018 /nfs/dbraw/zinc/41/00/18/1297410018.db2.gz NKFQXCVAPOOXCV-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960676470 1297410024 /nfs/dbraw/zinc/41/00/24/1297410024.db2.gz NKFQXCVAPOOXCV-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022851 1313392859 /nfs/dbraw/zinc/39/28/59/1313392859.db2.gz KQNJQJZXVBROPA-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031110 1313394054 /nfs/dbraw/zinc/39/40/54/1313394054.db2.gz NKHKTYDMJFHEAS-LNLFQRSKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000948919619 1298088361 /nfs/dbraw/zinc/08/83/61/1298088361.db2.gz MGGOVADVRYSLBT-ZCNNSNEGSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000948919619 1298088374 /nfs/dbraw/zinc/08/83/74/1298088374.db2.gz MGGOVADVRYSLBT-ZCNNSNEGSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000948919619 1298088386 /nfs/dbraw/zinc/08/83/86/1298088386.db2.gz MGGOVADVRYSLBT-ZCNNSNEGSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000948919619 1298088397 /nfs/dbraw/zinc/08/83/97/1298088397.db2.gz MGGOVADVRYSLBT-ZCNNSNEGSA-N 2 1 341.499 2.618 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913877 1313476331 /nfs/dbraw/zinc/47/63/31/1313476331.db2.gz JJACOIWBSRKABL-VAMGGRTRSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049915166 1313478881 /nfs/dbraw/zinc/47/88/81/1313478881.db2.gz TXOWJUUPLXXXRT-XUVXKRRUSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156614 1298222347 /nfs/dbraw/zinc/22/23/47/1298222347.db2.gz LGTQAWKEXPQKAG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921513 1313487105 /nfs/dbraw/zinc/48/71/05/1313487105.db2.gz WSTHMRXXTZWZLI-DLBZAZTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921513 1313487106 /nfs/dbraw/zinc/48/71/06/1313487106.db2.gz WSTHMRXXTZWZLI-DLBZAZTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049922100 1313487633 /nfs/dbraw/zinc/48/76/33/1313487633.db2.gz YCALJONJDMAYQD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202037 1298313133 /nfs/dbraw/zinc/31/31/33/1298313133.db2.gz SWVDIBQSSXJRQZ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202037 1298313146 /nfs/dbraw/zinc/31/31/46/1298313146.db2.gz SWVDIBQSSXJRQZ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236582555 1313493929 /nfs/dbraw/zinc/49/39/29/1313493929.db2.gz RASOONAPCLHOAR-OLMNPRSZSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236582555 1313493931 /nfs/dbraw/zinc/49/39/31/1313493931.db2.gz RASOONAPCLHOAR-OLMNPRSZSA-N 2 1 349.425 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214007 1298340623 /nfs/dbraw/zinc/34/06/23/1298340623.db2.gz RKORFEOHEYLJJQ-DLBZAZTESA-N 2 1 338.455 2.694 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224118 1298356865 /nfs/dbraw/zinc/35/68/65/1298356865.db2.gz CXPCEWBTNRZQBW-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375569 /nfs/dbraw/zinc/37/55/69/1298375569.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375578 /nfs/dbraw/zinc/37/55/78/1298375578.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375591 /nfs/dbraw/zinc/37/55/91/1298375591.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231293 1298375745 /nfs/dbraw/zinc/37/57/45/1298375745.db2.gz QHJWHVKANYZLPV-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377066 /nfs/dbraw/zinc/37/70/66/1298377066.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377079 /nfs/dbraw/zinc/37/70/79/1298377079.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377089 /nfs/dbraw/zinc/37/70/89/1298377089.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254811 1298428337 /nfs/dbraw/zinc/42/83/37/1298428337.db2.gz TYGVTONIIIKQAN-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259585 1298431618 /nfs/dbraw/zinc/43/16/18/1298431618.db2.gz ISFUWHYTDIBVRU-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268832 1298455821 /nfs/dbraw/zinc/45/58/21/1298455821.db2.gz GHKVMSGFRZIBAT-DLBZAZTESA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292541 1298510014 /nfs/dbraw/zinc/51/00/14/1298510014.db2.gz JREYCVPJCRQVRN-VQTJNVASSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765754 1313517717 /nfs/dbraw/zinc/51/77/17/1313517717.db2.gz LFCROFSJURKHQS-OTWHNJEPSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961367445 1298627082 /nfs/dbraw/zinc/62/70/82/1298627082.db2.gz MSECIWVIECOTGU-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961367445 1298627093 /nfs/dbraw/zinc/62/70/93/1298627093.db2.gz MSECIWVIECOTGU-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961367445 1298627100 /nfs/dbraw/zinc/62/71/00/1298627100.db2.gz MSECIWVIECOTGU-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372943 1298636640 /nfs/dbraw/zinc/63/66/40/1298636640.db2.gz FDXZHQUNJQBFFT-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376498 1298645948 /nfs/dbraw/zinc/64/59/48/1298645948.db2.gz TYTGQJPOZPDDMT-UXHICEINSA-N 2 1 347.547 2.547 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383909 1298659810 /nfs/dbraw/zinc/65/98/10/1298659810.db2.gz MFRZHJZDXUBAGH-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383909 1298659821 /nfs/dbraw/zinc/65/98/21/1298659821.db2.gz MFRZHJZDXUBAGH-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961407344 1298700799 /nfs/dbraw/zinc/70/07/99/1298700799.db2.gz XCPANMQFLRWYKY-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961407344 1298700812 /nfs/dbraw/zinc/70/08/12/1298700812.db2.gz XCPANMQFLRWYKY-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961407344 1298700827 /nfs/dbraw/zinc/70/08/27/1298700827.db2.gz XCPANMQFLRWYKY-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961406998 1298701381 /nfs/dbraw/zinc/70/13/81/1298701381.db2.gz UKCJDJZZYXMSMP-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961406998 1298701391 /nfs/dbraw/zinc/70/13/91/1298701391.db2.gz UKCJDJZZYXMSMP-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961406998 1298701405 /nfs/dbraw/zinc/70/14/05/1298701405.db2.gz UKCJDJZZYXMSMP-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969573 1313575352 /nfs/dbraw/zinc/57/53/52/1313575352.db2.gz BDDNJDLECRDXKX-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969573 1313575356 /nfs/dbraw/zinc/57/53/56/1313575356.db2.gz BDDNJDLECRDXKX-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018027487 1313648443 /nfs/dbraw/zinc/64/84/43/1313648443.db2.gz VHOUCBKFWCFNMX-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018027487 1313648447 /nfs/dbraw/zinc/64/84/47/1313648447.db2.gz VHOUCBKFWCFNMX-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018027487 1313648451 /nfs/dbraw/zinc/64/84/51/1313648451.db2.gz VHOUCBKFWCFNMX-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](C)CC1)[C@H]2CC ZINC001207396755 1313674110 /nfs/dbraw/zinc/67/41/10/1313674110.db2.gz SSWWBEWKYNDYMI-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482065 1313697390 /nfs/dbraw/zinc/69/73/90/1313697390.db2.gz SGZJTGZIRVIGJF-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000776739496 1300554368 /nfs/dbraw/zinc/55/43/68/1300554368.db2.gz RTNWDRPXAMRZCS-KDOFPFPSSA-N 2 1 331.435 2.991 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000963309727 1300567297 /nfs/dbraw/zinc/56/72/97/1300567297.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309727 1300567307 /nfs/dbraw/zinc/56/73/07/1300567307.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309727 1300567317 /nfs/dbraw/zinc/56/73/17/1300567317.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322626 1300597667 /nfs/dbraw/zinc/59/76/67/1300597667.db2.gz HVPDQEKWVYOOLE-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337313 1300631730 /nfs/dbraw/zinc/63/17/30/1300631730.db2.gz NQGLQJSXSAWPMU-ZWKOTPCHSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337211 1300632732 /nfs/dbraw/zinc/63/27/32/1300632732.db2.gz MAJGQGVGGCZVTO-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337211 1300632743 /nfs/dbraw/zinc/63/27/43/1300632743.db2.gz MAJGQGVGGCZVTO-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345248 1300649631 /nfs/dbraw/zinc/64/96/31/1300649631.db2.gz FKULXKZRADWFCV-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358565 1300680120 /nfs/dbraw/zinc/68/01/20/1300680120.db2.gz UKFQXXJXZCFTHA-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358205 1300680471 /nfs/dbraw/zinc/68/04/71/1300680471.db2.gz PJMJBNAILBKPTD-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360165 1300684778 /nfs/dbraw/zinc/68/47/78/1300684778.db2.gz KYKSOURSPDEPOH-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360165 1300684781 /nfs/dbraw/zinc/68/47/81/1300684781.db2.gz KYKSOURSPDEPOH-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360165 1300684784 /nfs/dbraw/zinc/68/47/84/1300684784.db2.gz KYKSOURSPDEPOH-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363866 1300693452 /nfs/dbraw/zinc/69/34/52/1300693452.db2.gz AETZGFZMDRHNFS-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000963385210 1300743295 /nfs/dbraw/zinc/74/32/95/1300743295.db2.gz ALDLLKNNDQDNAS-OFLPRAFFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018157914 1313718504 /nfs/dbraw/zinc/71/85/04/1313718504.db2.gz QGLORFDTOZANCA-SVFBPWRDSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018157914 1313718508 /nfs/dbraw/zinc/71/85/08/1313718508.db2.gz QGLORFDTOZANCA-SVFBPWRDSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018165847 1313723057 /nfs/dbraw/zinc/72/30/57/1313723057.db2.gz NQVGGXYTSCIQKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018165847 1313723061 /nfs/dbraw/zinc/72/30/61/1313723061.db2.gz NQVGGXYTSCIQKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000963421392 1300818217 /nfs/dbraw/zinc/81/82/17/1300818217.db2.gz RLGSDHSAAVQEBQ-JCYILVPMSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429619 1300837244 /nfs/dbraw/zinc/83/72/44/1300837244.db2.gz QHLSTGGQNLFIEE-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018165847 1313723054 /nfs/dbraw/zinc/72/30/54/1313723054.db2.gz NQVGGXYTSCIQKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562886 1300921375 /nfs/dbraw/zinc/92/13/75/1300921375.db2.gz PETGYOQKCHHMDV-BWTSREIZSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963786051 1301314539 /nfs/dbraw/zinc/31/45/39/1301314539.db2.gz ADHYZNFPTXAWQS-LMBQMVEXSA-N 2 1 339.911 2.629 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000963808456 1301334648 /nfs/dbraw/zinc/33/46/48/1301334648.db2.gz HQBCBDIXQGVTLF-KZYAKZRFSA-N 2 1 345.531 2.844 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104657 1313761112 /nfs/dbraw/zinc/76/11/12/1313761112.db2.gz NOQFAXBJIJKGRL-VQTJNVASSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104657 1313761117 /nfs/dbraw/zinc/76/11/17/1313761117.db2.gz NOQFAXBJIJKGRL-VQTJNVASSA-N 2 1 341.455 2.908 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000963902877 1301454359 /nfs/dbraw/zinc/45/43/59/1301454359.db2.gz SWGQENSPAUSSIE-WWDZGPRUSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963948041 1301505909 /nfs/dbraw/zinc/50/59/09/1301505909.db2.gz YHRRWIHDMXCOKO-JDKNDNFBSA-N 2 1 345.531 2.987 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018299771 1313800880 /nfs/dbraw/zinc/80/08/80/1313800880.db2.gz SWKBXHVRWMPPGQ-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018299771 1313800884 /nfs/dbraw/zinc/80/08/84/1313800884.db2.gz SWKBXHVRWMPPGQ-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018315511 1313808689 /nfs/dbraw/zinc/80/86/89/1313808689.db2.gz ZNSLCKYGJTZOQG-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018315511 1313808693 /nfs/dbraw/zinc/80/86/93/1313808693.db2.gz ZNSLCKYGJTZOQG-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114606837 1302316899 /nfs/dbraw/zinc/31/68/99/1302316899.db2.gz IQIZZNTUNLCRNC-NMLBUPMWSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192327 1313866357 /nfs/dbraw/zinc/86/63/57/1313866357.db2.gz ULYKYDMABHFRLE-ICSRJNTNSA-N 2 1 336.520 2.935 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453176 1303264745 /nfs/dbraw/zinc/26/47/45/1303264745.db2.gz BPEGMRAKVSGPTF-CQSZACIVSA-N 2 1 347.450 2.775 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219248 1313914578 /nfs/dbraw/zinc/91/45/78/1313914578.db2.gz YFOYTXIBSHJJER-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219248 1313914581 /nfs/dbraw/zinc/91/45/81/1313914581.db2.gz YFOYTXIBSHJJER-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219248 1313914585 /nfs/dbraw/zinc/91/45/85/1313914585.db2.gz YFOYTXIBSHJJER-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422576 1313925986 /nfs/dbraw/zinc/92/59/86/1313925986.db2.gz QTGAUANAQAFMNT-HLLBOEOZSA-N 2 1 333.476 2.746 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422576 1313925988 /nfs/dbraw/zinc/92/59/88/1313925988.db2.gz QTGAUANAQAFMNT-HLLBOEOZSA-N 2 1 333.476 2.746 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114408988 1304047199 /nfs/dbraw/zinc/04/71/99/1304047199.db2.gz DZKHVMXQNGRTLJ-MJQMVNBJSA-N 2 1 344.503 2.777 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114408988 1304047204 /nfs/dbraw/zinc/04/72/04/1304047204.db2.gz DZKHVMXQNGRTLJ-MJQMVNBJSA-N 2 1 344.503 2.777 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208600099 1313973151 /nfs/dbraw/zinc/97/31/51/1313973151.db2.gz QBXUNDCHQWUAIO-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP COc1cc(C#N)ccc1OC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614488 1313980818 /nfs/dbraw/zinc/98/08/18/1313980818.db2.gz DPHAHIHOGHMWCQ-KRWDZBQOSA-N 2 1 343.471 2.752 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904508 1304419738 /nfs/dbraw/zinc/41/97/38/1304419738.db2.gz QEDVUDKECPVQFX-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934639 1304917223 /nfs/dbraw/zinc/91/72/23/1304917223.db2.gz NPRWUBUVVKNDFL-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423704 1304975891 /nfs/dbraw/zinc/97/58/91/1304975891.db2.gz IOJGVIGLURGRBD-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456410 1305241210 /nfs/dbraw/zinc/24/12/10/1305241210.db2.gz UGDPLQNWNZCVDB-BWTSREIZSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1CC ZINC001037967488 1305438841 /nfs/dbraw/zinc/43/88/41/1305438841.db2.gz PXEWTWIPCYNJBY-ZIAGYGMSSA-N 2 1 338.883 2.657 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001209007368 1314067848 /nfs/dbraw/zinc/06/78/48/1314067848.db2.gz SLIOZRDTUHHXPW-BRWVUGGUSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007368 1314067852 /nfs/dbraw/zinc/06/78/52/1314067852.db2.gz SLIOZRDTUHHXPW-BRWVUGGUSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007368 1314067856 /nfs/dbraw/zinc/06/78/56/1314067856.db2.gz SLIOZRDTUHHXPW-BRWVUGGUSA-N 2 1 332.492 2.798 20 30 EFEDMP Cn1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070306 /nfs/dbraw/zinc/07/03/06/1314070306.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 1 337.471 2.713 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070307 /nfs/dbraw/zinc/07/03/07/1314070307.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 1 337.471 2.713 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001043618205 1305939143 /nfs/dbraw/zinc/93/91/43/1305939143.db2.gz XDCPKNUOPGWRPQ-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001043618205 1305939151 /nfs/dbraw/zinc/93/91/51/1305939151.db2.gz XDCPKNUOPGWRPQ-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001209160969 1314102486 /nfs/dbraw/zinc/10/24/86/1314102486.db2.gz FIDYQVGYXWDFSU-VAMGGRTRSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209202727 1314115030 /nfs/dbraw/zinc/11/50/30/1314115030.db2.gz OUWQTQAXGNBSCV-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209202727 1314115033 /nfs/dbraw/zinc/11/50/33/1314115033.db2.gz OUWQTQAXGNBSCV-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209202727 1314115036 /nfs/dbraw/zinc/11/50/36/1314115036.db2.gz OUWQTQAXGNBSCV-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416944 1306285948 /nfs/dbraw/zinc/28/59/48/1306285948.db2.gz BWDPWFTVRSTSMP-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419532 1306290373 /nfs/dbraw/zinc/29/03/73/1306290373.db2.gz USGQTWFCRBUGML-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223969 1314120105 /nfs/dbraw/zinc/12/01/05/1314120105.db2.gz XROXWHYWLDMYGU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223970 1314120280 /nfs/dbraw/zinc/12/02/80/1314120280.db2.gz XROXWHYWLDMYGU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676661 1306559563 /nfs/dbraw/zinc/55/95/63/1306559563.db2.gz OIVRGSINFHNGMR-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683220 1306565360 /nfs/dbraw/zinc/56/53/60/1306565360.db2.gz ZVMWQJSLRWPNBL-IEBWSBKVSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687435 1306567966 /nfs/dbraw/zinc/56/79/66/1306567966.db2.gz AZEALYXZKSTFRU-WMZOPIPTSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687435 1306567971 /nfs/dbraw/zinc/56/79/71/1306567971.db2.gz AZEALYXZKSTFRU-WMZOPIPTSA-N 2 1 345.487 2.585 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690713 1306570933 /nfs/dbraw/zinc/57/09/33/1306570933.db2.gz ARVXCNHMFCRRMU-WMZOPIPTSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690897 1306571577 /nfs/dbraw/zinc/57/15/77/1306571577.db2.gz BKGDHHLZWVREMA-WBVHZDCISA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856095 1306726557 /nfs/dbraw/zinc/72/65/57/1306726557.db2.gz DSHFBBNKHKNHMA-RBUKOAKNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877582 1306749362 /nfs/dbraw/zinc/74/93/62/1306749362.db2.gz YQMLMVPOMMTUAQ-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877582 1306749366 /nfs/dbraw/zinc/74/93/66/1306749366.db2.gz YQMLMVPOMMTUAQ-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887354 1306760037 /nfs/dbraw/zinc/76/00/37/1306760037.db2.gz BRGSMCSTHOWAFG-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887354 1306760042 /nfs/dbraw/zinc/76/00/42/1306760042.db2.gz BRGSMCSTHOWAFG-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887354 1306760048 /nfs/dbraw/zinc/76/00/48/1306760048.db2.gz BRGSMCSTHOWAFG-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888639 1306763907 /nfs/dbraw/zinc/76/39/07/1306763907.db2.gz XMNVSSOUKXRMDC-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888639 1306763914 /nfs/dbraw/zinc/76/39/14/1306763914.db2.gz XMNVSSOUKXRMDC-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888639 1306763919 /nfs/dbraw/zinc/76/39/19/1306763919.db2.gz XMNVSSOUKXRMDC-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004799 1306879552 /nfs/dbraw/zinc/87/95/52/1306879552.db2.gz CPIFQHJFJLUFKZ-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004799 1306879554 /nfs/dbraw/zinc/87/95/54/1306879554.db2.gz CPIFQHJFJLUFKZ-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000969108700 1306983593 /nfs/dbraw/zinc/98/35/93/1306983593.db2.gz JUYOSTKWOPYQSP-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108700 1306983596 /nfs/dbraw/zinc/98/35/96/1306983596.db2.gz JUYOSTKWOPYQSP-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108700 1306983602 /nfs/dbraw/zinc/98/36/02/1306983602.db2.gz JUYOSTKWOPYQSP-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437993 1307337991 /nfs/dbraw/zinc/33/79/91/1307337991.db2.gz IJEPDBOXYSWYQR-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458243 1307353921 /nfs/dbraw/zinc/35/39/21/1307353921.db2.gz BWZCVDHZSCKBIP-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458243 1307353924 /nfs/dbraw/zinc/35/39/24/1307353924.db2.gz BWZCVDHZSCKBIP-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045475872 1307365701 /nfs/dbraw/zinc/36/57/01/1307365701.db2.gz VAXYAZOQYYWUMP-ROUUACIJSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045478929 1307369128 /nfs/dbraw/zinc/36/91/28/1307369128.db2.gz JMAOALHWXUBHRU-JKSUJKDBSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045478929 1307369133 /nfs/dbraw/zinc/36/91/33/1307369133.db2.gz JMAOALHWXUBHRU-JKSUJKDBSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343798 1307380176 /nfs/dbraw/zinc/38/01/76/1307380176.db2.gz OHNOQRCZGPCWPB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007343798 1307380178 /nfs/dbraw/zinc/38/01/78/1307380178.db2.gz OHNOQRCZGPCWPB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007343798 1307380183 /nfs/dbraw/zinc/38/01/83/1307380183.db2.gz OHNOQRCZGPCWPB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585203 1307448229 /nfs/dbraw/zinc/44/82/29/1307448229.db2.gz OXCMHVKBSSRNPV-QZTJIDSGSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620493 1307478529 /nfs/dbraw/zinc/47/85/29/1307478529.db2.gz RVMASKGXMPEOSK-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209644144 1314208481 /nfs/dbraw/zinc/20/84/81/1314208481.db2.gz ZBJMVGJKRKRWPA-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209652010 1314210713 /nfs/dbraw/zinc/21/07/13/1314210713.db2.gz WIESDVDCMILGDS-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734229 1314215405 /nfs/dbraw/zinc/21/54/05/1314215405.db2.gz IXZDMCLCTBNQLQ-ZACQAIPSSA-N 2 1 331.460 2.643 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734229 1314215407 /nfs/dbraw/zinc/21/54/07/1314215407.db2.gz IXZDMCLCTBNQLQ-ZACQAIPSSA-N 2 1 331.460 2.643 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921191 1307897040 /nfs/dbraw/zinc/89/70/40/1307897040.db2.gz HJXHFDTVYKYVPL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921191 1307897044 /nfs/dbraw/zinc/89/70/44/1307897044.db2.gz HJXHFDTVYKYVPL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921191 1307897048 /nfs/dbraw/zinc/89/70/48/1307897048.db2.gz HJXHFDTVYKYVPL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939050 1307942370 /nfs/dbraw/zinc/94/23/70/1307942370.db2.gz TVJNQTWONDOMPF-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939050 1307942375 /nfs/dbraw/zinc/94/23/75/1307942375.db2.gz TVJNQTWONDOMPF-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939050 1307942380 /nfs/dbraw/zinc/94/23/80/1307942380.db2.gz TVJNQTWONDOMPF-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045941902 1307952720 /nfs/dbraw/zinc/95/27/20/1307952720.db2.gz OMNYTJSUGPCDDM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941902 1307952724 /nfs/dbraw/zinc/95/27/24/1307952724.db2.gz OMNYTJSUGPCDDM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941902 1307952726 /nfs/dbraw/zinc/95/27/26/1307952726.db2.gz OMNYTJSUGPCDDM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045942446 1307953678 /nfs/dbraw/zinc/95/36/78/1307953678.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942446 1307953681 /nfs/dbraw/zinc/95/36/81/1307953681.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942446 1307953684 /nfs/dbraw/zinc/95/36/84/1307953684.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278205 1307955887 /nfs/dbraw/zinc/95/58/87/1307955887.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278205 1307955892 /nfs/dbraw/zinc/95/58/92/1307955892.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278205 1307955896 /nfs/dbraw/zinc/95/58/96/1307955896.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943348 1307956220 /nfs/dbraw/zinc/95/62/20/1307956220.db2.gz IKGKPEPLNIYXCW-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943740 1307958738 /nfs/dbraw/zinc/95/87/38/1307958738.db2.gz NSZWSOQDIPHSRA-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945552 1307965482 /nfs/dbraw/zinc/96/54/82/1307965482.db2.gz VUBKVFRAZURXSZ-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945552 1307965485 /nfs/dbraw/zinc/96/54/85/1307965485.db2.gz VUBKVFRAZURXSZ-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945552 1307965489 /nfs/dbraw/zinc/96/54/89/1307965489.db2.gz VUBKVFRAZURXSZ-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948727 1307973925 /nfs/dbraw/zinc/97/39/25/1307973925.db2.gz QLVVLBXJQYSASA-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948727 1307973928 /nfs/dbraw/zinc/97/39/28/1307973928.db2.gz QLVVLBXJQYSASA-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948727 1307973929 /nfs/dbraw/zinc/97/39/29/1307973929.db2.gz QLVVLBXJQYSASA-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949960 1307976738 /nfs/dbraw/zinc/97/67/38/1307976738.db2.gz SFSYIPKVCQRGBF-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949960 1307976745 /nfs/dbraw/zinc/97/67/45/1307976745.db2.gz SFSYIPKVCQRGBF-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949960 1307976751 /nfs/dbraw/zinc/97/67/51/1307976751.db2.gz SFSYIPKVCQRGBF-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949961 1307977455 /nfs/dbraw/zinc/97/74/55/1307977455.db2.gz SFSYIPKVCQRGBF-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949961 1307977461 /nfs/dbraw/zinc/97/74/61/1307977461.db2.gz SFSYIPKVCQRGBF-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949961 1307977467 /nfs/dbraw/zinc/97/74/67/1307977467.db2.gz SFSYIPKVCQRGBF-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951498 1307982541 /nfs/dbraw/zinc/98/25/41/1307982541.db2.gz FWBQSPZPKFWSHH-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045960318 1308005262 /nfs/dbraw/zinc/00/52/62/1308005262.db2.gz CLTAUNIHWRWIQD-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960318 1308005271 /nfs/dbraw/zinc/00/52/71/1308005271.db2.gz CLTAUNIHWRWIQD-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960318 1308005274 /nfs/dbraw/zinc/00/52/74/1308005274.db2.gz CLTAUNIHWRWIQD-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961259 1308008662 /nfs/dbraw/zinc/00/86/62/1308008662.db2.gz JYPIRWQAOQMLEQ-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961259 1308008666 /nfs/dbraw/zinc/00/86/66/1308008666.db2.gz JYPIRWQAOQMLEQ-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961259 1308008670 /nfs/dbraw/zinc/00/86/70/1308008670.db2.gz JYPIRWQAOQMLEQ-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966979 1308024112 /nfs/dbraw/zinc/02/41/12/1308024112.db2.gz KMBFMIMUHVCAEH-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982154 1308074427 /nfs/dbraw/zinc/07/44/27/1308074427.db2.gz PKJOKBXBFZDVPC-LJQANCHMSA-N 2 1 330.476 2.541 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510439 1308125609 /nfs/dbraw/zinc/12/56/09/1308125609.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008510439 1308125612 /nfs/dbraw/zinc/12/56/12/1308125612.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008510439 1308125617 /nfs/dbraw/zinc/12/56/17/1308125617.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540757 1308143325 /nfs/dbraw/zinc/14/33/25/1308143325.db2.gz OXGCNJRHWVFTPU-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319396 1308536355 /nfs/dbraw/zinc/53/63/55/1308536355.db2.gz RHCDLIBAPLGFFI-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319396 1308536358 /nfs/dbraw/zinc/53/63/58/1308536358.db2.gz RHCDLIBAPLGFFI-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319396 1308536363 /nfs/dbraw/zinc/53/63/63/1308536363.db2.gz RHCDLIBAPLGFFI-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101490 1308737953 /nfs/dbraw/zinc/73/79/53/1308737953.db2.gz XYVZGWOXDFCWLZ-RDGPPVDQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854712 1314274660 /nfs/dbraw/zinc/27/46/60/1314274660.db2.gz QEPDLJNVBHSKHB-AQNXPRMDSA-N 2 1 341.499 2.702 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210174351 1314291587 /nfs/dbraw/zinc/29/15/87/1314291587.db2.gz DCKQJBJLBQPGOT-MRXNPFEDSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213646 1314296483 /nfs/dbraw/zinc/29/64/83/1314296483.db2.gz MHLJWHNISHOQRR-QFUCXCTJSA-N 2 1 343.515 2.866 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213646 1314296486 /nfs/dbraw/zinc/29/64/86/1314296486.db2.gz MHLJWHNISHOQRR-QFUCXCTJSA-N 2 1 343.515 2.866 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701372 1314310434 /nfs/dbraw/zinc/31/04/34/1314310434.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701372 1314310437 /nfs/dbraw/zinc/31/04/37/1314310437.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701372 1314310440 /nfs/dbraw/zinc/31/04/40/1314310440.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703209 1314311094 /nfs/dbraw/zinc/31/10/94/1314311094.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052703209 1314311097 /nfs/dbraw/zinc/31/10/97/1314311097.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052703209 1314311099 /nfs/dbraw/zinc/31/10/99/1314311099.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708921 1314315786 /nfs/dbraw/zinc/31/57/86/1314315786.db2.gz HSWXBOOGAJHNRS-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001046946113 1309735770 /nfs/dbraw/zinc/73/57/70/1309735770.db2.gz SJXMXEYACUNNJB-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946113 1309735775 /nfs/dbraw/zinc/73/57/75/1309735775.db2.gz SJXMXEYACUNNJB-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946113 1309735781 /nfs/dbraw/zinc/73/57/81/1309735781.db2.gz SJXMXEYACUNNJB-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047241082 1310390615 /nfs/dbraw/zinc/39/06/15/1310390615.db2.gz KOVLONYJUMJDSK-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047241413 1310391926 /nfs/dbraw/zinc/39/19/26/1310391926.db2.gz CCTNWMOCJZXRFT-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244460 1310400357 /nfs/dbraw/zinc/40/03/57/1310400357.db2.gz REOWQXVCNNGXFV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245146 1310402803 /nfs/dbraw/zinc/40/28/03/1310402803.db2.gz XTSOWSCFQUZRJM-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256811 1310432351 /nfs/dbraw/zinc/43/23/51/1310432351.db2.gz OCSGCAXJMLLAOZ-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098870999 1311048760 /nfs/dbraw/zinc/04/87/60/1311048760.db2.gz YFPSFVHLQJTZLS-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098870999 1311048763 /nfs/dbraw/zinc/04/87/63/1311048763.db2.gz YFPSFVHLQJTZLS-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098870999 1311048765 /nfs/dbraw/zinc/04/87/65/1311048765.db2.gz YFPSFVHLQJTZLS-HBFSDRIKSA-N 2 1 333.520 2.511 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344957 1311088891 /nfs/dbraw/zinc/08/88/91/1311088891.db2.gz QWQUOPOFHMMIAS-LJQANCHMSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344990 1311089118 /nfs/dbraw/zinc/08/91/18/1311089118.db2.gz SBWBENKCPNLTMF-IBGZPJMESA-N 2 1 347.547 2.883 20 30 EFEDMP C[C@@H](C#N)OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924051 1311102934 /nfs/dbraw/zinc/10/29/34/1311102934.db2.gz IPDKEYCLYQHITA-AZUAARDMSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924051 1311102937 /nfs/dbraw/zinc/10/29/37/1311102937.db2.gz IPDKEYCLYQHITA-AZUAARDMSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000801924051 1311102940 /nfs/dbraw/zinc/10/29/40/1311102940.db2.gz IPDKEYCLYQHITA-AZUAARDMSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@@H](C#N)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000801924051 1311102943 /nfs/dbraw/zinc/10/29/43/1311102943.db2.gz IPDKEYCLYQHITA-AZUAARDMSA-N 2 1 327.472 2.903 20 30 EFEDMP CCCCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521544 1311146484 /nfs/dbraw/zinc/14/64/84/1311146484.db2.gz VPOZLTSPVILOHC-FQEVSTJZSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656498 1311167881 /nfs/dbraw/zinc/16/78/81/1311167881.db2.gz KDDSNFFCHKFSJD-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656498 1311167883 /nfs/dbraw/zinc/16/78/83/1311167883.db2.gz KDDSNFFCHKFSJD-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001222818250 1311188088 /nfs/dbraw/zinc/18/80/88/1311188088.db2.gz VAQCRRMVIZANDH-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222818250 1311188092 /nfs/dbraw/zinc/18/80/92/1311188092.db2.gz VAQCRRMVIZANDH-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222818250 1311188094 /nfs/dbraw/zinc/18/80/94/1311188094.db2.gz VAQCRRMVIZANDH-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222958926 1311202952 /nfs/dbraw/zinc/20/29/52/1311202952.db2.gz DCKMHHDHFIHTPV-QRVBRYPASA-N 2 1 335.536 2.996 20 30 EFEDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N(C)C)c(C#N)c3F)(C1)CCC2 ZINC001276862179 1311215803 /nfs/dbraw/zinc/21/58/03/1311215803.db2.gz WKVYPERBTDCITH-RBUKOAKNSA-N 2 1 330.451 2.918 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001223194864 1311229182 /nfs/dbraw/zinc/22/91/82/1311229182.db2.gz TYSONCWPIBMWPZ-RTBURBONSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313637 1311232357 /nfs/dbraw/zinc/23/23/57/1311232357.db2.gz HGGFYMNDORFPNB-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363905 1311237232 /nfs/dbraw/zinc/23/72/32/1311237232.db2.gz FHYNJRKEBMLZKD-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363905 1311237235 /nfs/dbraw/zinc/23/72/35/1311237235.db2.gz FHYNJRKEBMLZKD-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363905 1311237238 /nfs/dbraw/zinc/23/72/38/1311237238.db2.gz FHYNJRKEBMLZKD-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461725 1311244399 /nfs/dbraw/zinc/24/43/99/1311244399.db2.gz QPMVVMIVFCQCQD-QUCCMNQESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461725 1311244403 /nfs/dbraw/zinc/24/44/03/1311244403.db2.gz QPMVVMIVFCQCQD-QUCCMNQESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223353613 1311249049 /nfs/dbraw/zinc/24/90/49/1311249049.db2.gz HZUKEPFZLKVYAQ-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223353613 1311249051 /nfs/dbraw/zinc/24/90/51/1311249051.db2.gz HZUKEPFZLKVYAQ-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223353613 1311249053 /nfs/dbraw/zinc/24/90/53/1311249053.db2.gz HZUKEPFZLKVYAQ-RDGPPVDQSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885421 1311252790 /nfs/dbraw/zinc/25/27/90/1311252790.db2.gz KXFRJDDQVXIUDI-OPVJXMOQSA-N 2 1 347.547 2.853 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976218 1311271263 /nfs/dbraw/zinc/27/12/63/1311271263.db2.gz PWZWKFHVALGXHM-RLLQIKCJSA-N 2 1 349.563 2.983 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079186 1311278599 /nfs/dbraw/zinc/27/85/99/1311278599.db2.gz YZLKAASWVYTMEF-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684219 1311291524 /nfs/dbraw/zinc/29/15/24/1311291524.db2.gz NPRFRHRASMYOSD-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684219 1311291527 /nfs/dbraw/zinc/29/15/27/1311291527.db2.gz NPRFRHRASMYOSD-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223682986 1311291716 /nfs/dbraw/zinc/29/17/16/1311291716.db2.gz ACUFWMRDDOASFE-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223682986 1311291718 /nfs/dbraw/zinc/29/17/18/1311291718.db2.gz ACUFWMRDDOASFE-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223705153 1311294676 /nfs/dbraw/zinc/29/46/76/1311294676.db2.gz BFGSMIFMOPUKFH-QYZOEREBSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430482 1311309570 /nfs/dbraw/zinc/30/95/70/1311309570.db2.gz RZKDIZUCIGIFBO-CEXWTWQISA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987985 1311339109 /nfs/dbraw/zinc/33/91/09/1311339109.db2.gz YXALFAMQPMZYEA-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCCCC)C[C@H]1C ZINC001103099485 1311343975 /nfs/dbraw/zinc/34/39/75/1311343975.db2.gz NTCDEMDDJFZKBF-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001103099485 1311343979 /nfs/dbraw/zinc/34/39/79/1311343979.db2.gz NTCDEMDDJFZKBF-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCCC)C[C@H]1C ZINC001103099485 1311343983 /nfs/dbraw/zinc/34/39/83/1311343983.db2.gz NTCDEMDDJFZKBF-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCCC)C[C@H]1C ZINC001103099485 1311343985 /nfs/dbraw/zinc/34/39/85/1311343985.db2.gz NTCDEMDDJFZKBF-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130021 1311346346 /nfs/dbraw/zinc/34/63/46/1311346346.db2.gz LMOPQXRFNGEKGH-QRVBRYPASA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130021 1311346347 /nfs/dbraw/zinc/34/63/47/1311346347.db2.gz LMOPQXRFNGEKGH-QRVBRYPASA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130021 1311346350 /nfs/dbraw/zinc/34/63/50/1311346350.db2.gz LMOPQXRFNGEKGH-QRVBRYPASA-N 2 1 335.536 2.831 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269352 1311350028 /nfs/dbraw/zinc/35/00/28/1311350028.db2.gz PXYFFYBRVVVIPX-QYZOEREBSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001224228465 1311363011 /nfs/dbraw/zinc/36/30/11/1311363011.db2.gz XXPWPPWHICHYTI-LNLFQRSKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001224233783 1311364143 /nfs/dbraw/zinc/36/41/43/1311364143.db2.gz YWTUQXHBIJDNTM-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 ZINC001224306130 1311373314 /nfs/dbraw/zinc/37/33/14/1311373314.db2.gz CJLBRHSQCSIWLO-MSOLQXFVSA-N 2 1 330.476 2.552 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546289 1311405601 /nfs/dbraw/zinc/40/56/01/1311405601.db2.gz JCIMQHZYXFKHHQ-MJGOQNOKSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872608 1311407159 /nfs/dbraw/zinc/40/71/59/1311407159.db2.gz RGMYPBSBNVCXRQ-SJLPKXTDSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872608 1311407161 /nfs/dbraw/zinc/40/71/61/1311407161.db2.gz RGMYPBSBNVCXRQ-SJLPKXTDSA-N 2 1 332.492 2.859 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001224569896 1311408483 /nfs/dbraw/zinc/40/84/83/1311408483.db2.gz RDZDIFXCKIFUTP-UHFFFAOYSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224855436 1311443107 /nfs/dbraw/zinc/44/31/07/1311443107.db2.gz PINFURUOYLNHAV-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225142868 1311481971 /nfs/dbraw/zinc/48/19/71/1311481971.db2.gz QQMHONFLOVEDFO-FQEVSTJZSA-N 2 1 341.499 2.531 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434306 1311513520 /nfs/dbraw/zinc/51/35/20/1311513520.db2.gz LSSUHQHZSMTZBH-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434306 1311513524 /nfs/dbraw/zinc/51/35/24/1311513524.db2.gz LSSUHQHZSMTZBH-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434306 1311513527 /nfs/dbraw/zinc/51/35/27/1311513527.db2.gz LSSUHQHZSMTZBH-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1cc(Nc2cc[nH+]c3ccccc23)ccc1N1CC[NH2+]CC1 ZINC001159743215 1311576783 /nfs/dbraw/zinc/57/67/83/1311576783.db2.gz XPVKMDWLWCLFLP-UHFFFAOYSA-N 2 1 329.407 2.682 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309627 1311594098 /nfs/dbraw/zinc/59/40/98/1311594098.db2.gz VGFBEEZGEPGZIU-AABGKKOBSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096314337 1311614549 /nfs/dbraw/zinc/61/45/49/1311614549.db2.gz DOKLHZAPACWBQI-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096314337 1311614552 /nfs/dbraw/zinc/61/45/52/1311614552.db2.gz DOKLHZAPACWBQI-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096314337 1311614556 /nfs/dbraw/zinc/61/45/56/1311614556.db2.gz DOKLHZAPACWBQI-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160168927 1311658880 /nfs/dbraw/zinc/65/88/80/1311658880.db2.gz DDXOXOOCEUHYOV-DLBZAZTESA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160168927 1311658884 /nfs/dbraw/zinc/65/88/84/1311658884.db2.gz DDXOXOOCEUHYOV-DLBZAZTESA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160168927 1311658885 /nfs/dbraw/zinc/65/88/85/1311658885.db2.gz DDXOXOOCEUHYOV-DLBZAZTESA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160168927 1311658890 /nfs/dbraw/zinc/65/88/90/1311658890.db2.gz DDXOXOOCEUHYOV-DLBZAZTESA-N 2 1 339.911 2.608 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360404 1311697389 /nfs/dbraw/zinc/69/73/89/1311697389.db2.gz QMIKORVAWTUDMW-LPHOPBHVSA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400452 1311702949 /nfs/dbraw/zinc/70/29/49/1311702949.db2.gz RHIXZFUOFSDQBF-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400452 1311702952 /nfs/dbraw/zinc/70/29/52/1311702952.db2.gz RHIXZFUOFSDQBF-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400452 1311702954 /nfs/dbraw/zinc/70/29/54/1311702954.db2.gz RHIXZFUOFSDQBF-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466069 1311715965 /nfs/dbraw/zinc/71/59/65/1311715965.db2.gz AHXCISOIPXHZSL-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466069 1311715967 /nfs/dbraw/zinc/71/59/67/1311715967.db2.gz AHXCISOIPXHZSL-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466069 1311715969 /nfs/dbraw/zinc/71/59/69/1311715969.db2.gz AHXCISOIPXHZSL-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP N#Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc2ccc(Cl)cc12 ZINC001160521272 1311726501 /nfs/dbraw/zinc/72/65/01/1311726501.db2.gz XMYJZACCJUCDBP-SFHVURJKSA-N 2 1 341.846 2.595 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567742 1311738864 /nfs/dbraw/zinc/73/88/64/1311738864.db2.gz LAFSHDHPJZIYCR-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567742 1311738866 /nfs/dbraw/zinc/73/88/66/1311738866.db2.gz LAFSHDHPJZIYCR-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567742 1311738869 /nfs/dbraw/zinc/73/88/69/1311738869.db2.gz LAFSHDHPJZIYCR-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580568 1311741269 /nfs/dbraw/zinc/74/12/69/1311741269.db2.gz RGSHYOJGSLRYAQ-UHFFFAOYSA-N 2 1 338.455 2.971 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787174 1311781471 /nfs/dbraw/zinc/78/14/71/1311781471.db2.gz JSOCNSJMCOHHQC-UHFFFAOYSA-N 2 1 345.531 2.660 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048525942 1311862114 /nfs/dbraw/zinc/86/21/14/1311862114.db2.gz GSWSAEOJVZOFFZ-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048525942 1311862118 /nfs/dbraw/zinc/86/21/18/1311862118.db2.gz GSWSAEOJVZOFFZ-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048525942 1311862122 /nfs/dbraw/zinc/86/21/22/1311862122.db2.gz GSWSAEOJVZOFFZ-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048531122 1311868821 /nfs/dbraw/zinc/86/88/21/1311868821.db2.gz GWXRSPAGUKBGDI-ACHSLPGTSA-N 2 1 347.528 2.969 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538260 1311878789 /nfs/dbraw/zinc/87/87/89/1311878789.db2.gz NQSJWLYELITCBF-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538260 1311878792 /nfs/dbraw/zinc/87/87/92/1311878792.db2.gz NQSJWLYELITCBF-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538260 1311878795 /nfs/dbraw/zinc/87/87/95/1311878795.db2.gz NQSJWLYELITCBF-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543271 1311885717 /nfs/dbraw/zinc/88/57/17/1311885717.db2.gz RHMDSWQXASCHSJ-VBUUOAMHSA-N 2 1 338.455 2.883 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444237 1311891199 /nfs/dbraw/zinc/89/11/99/1311891199.db2.gz AEVGPEODKPMRMC-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444237 1311891201 /nfs/dbraw/zinc/89/12/01/1311891201.db2.gz AEVGPEODKPMRMC-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444237 1311891204 /nfs/dbraw/zinc/89/12/04/1311891204.db2.gz AEVGPEODKPMRMC-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444238 1311891235 /nfs/dbraw/zinc/89/12/35/1311891235.db2.gz AEVGPEODKPMRMC-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444238 1311891238 /nfs/dbraw/zinc/89/12/38/1311891238.db2.gz AEVGPEODKPMRMC-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444238 1311891240 /nfs/dbraw/zinc/89/12/40/1311891240.db2.gz AEVGPEODKPMRMC-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472612 1311896810 /nfs/dbraw/zinc/89/68/10/1311896810.db2.gz YKAPYOVFLDYDOK-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492455 1311899509 /nfs/dbraw/zinc/89/95/09/1311899509.db2.gz XJASRDUPBBLUGG-IBGZPJMESA-N 2 1 333.520 2.515 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558037 1311903241 /nfs/dbraw/zinc/90/32/41/1311903241.db2.gz WCPOIGKVPUTIPO-OKYOBFRVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558037 1311903242 /nfs/dbraw/zinc/90/32/42/1311903242.db2.gz WCPOIGKVPUTIPO-OKYOBFRVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558037 1311903244 /nfs/dbraw/zinc/90/32/44/1311903244.db2.gz WCPOIGKVPUTIPO-OKYOBFRVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048561786 1311907227 /nfs/dbraw/zinc/90/72/27/1311907227.db2.gz FKVXMQHQIJDNMV-QXCZDIPSSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048561786 1311907229 /nfs/dbraw/zinc/90/72/29/1311907229.db2.gz FKVXMQHQIJDNMV-QXCZDIPSSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048561786 1311907232 /nfs/dbraw/zinc/90/72/32/1311907232.db2.gz FKVXMQHQIJDNMV-QXCZDIPSSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570476 1311917524 /nfs/dbraw/zinc/91/75/24/1311917524.db2.gz PMQGFDAOGYDMHO-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570476 1311917528 /nfs/dbraw/zinc/91/75/28/1311917528.db2.gz PMQGFDAOGYDMHO-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570476 1311917530 /nfs/dbraw/zinc/91/75/30/1311917530.db2.gz PMQGFDAOGYDMHO-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570655 1311918540 /nfs/dbraw/zinc/91/85/40/1311918540.db2.gz UEPBTELESDDCLA-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570655 1311918543 /nfs/dbraw/zinc/91/85/43/1311918543.db2.gz UEPBTELESDDCLA-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570655 1311918545 /nfs/dbraw/zinc/91/85/45/1311918545.db2.gz UEPBTELESDDCLA-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574180 1311922640 /nfs/dbraw/zinc/92/26/40/1311922640.db2.gz RPZWCBLTWDWTFW-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574180 1311922642 /nfs/dbraw/zinc/92/26/42/1311922642.db2.gz RPZWCBLTWDWTFW-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574180 1311922650 /nfs/dbraw/zinc/92/26/50/1311922650.db2.gz RPZWCBLTWDWTFW-OUUBHVDSSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048589780 1311940630 /nfs/dbraw/zinc/94/06/30/1311940630.db2.gz AOENVQKMJXEEIW-FNLKRUPLSA-N 2 1 341.499 2.907 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679319 1311949082 /nfs/dbraw/zinc/94/90/82/1311949082.db2.gz ZEOMWSRGUOQGQH-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679319 1311949086 /nfs/dbraw/zinc/94/90/86/1311949086.db2.gz ZEOMWSRGUOQGQH-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679319 1311949090 /nfs/dbraw/zinc/94/90/90/1311949090.db2.gz ZEOMWSRGUOQGQH-HXUWFJFHSA-N 2 1 345.531 2.803 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161689165 1311951956 /nfs/dbraw/zinc/95/19/56/1311951956.db2.gz XRMDDFAQGOSKQO-OAQYLSRUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001228603135 1311968728 /nfs/dbraw/zinc/96/87/28/1311968728.db2.gz NTRCHHBTGPLAQH-QXAKKESOSA-N 2 1 344.503 2.737 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924999 1312004579 /nfs/dbraw/zinc/00/45/79/1312004579.db2.gz SJZUPXLGEAVBGU-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924999 1312004581 /nfs/dbraw/zinc/00/45/81/1312004581.db2.gz SJZUPXLGEAVBGU-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924999 1312004585 /nfs/dbraw/zinc/00/45/85/1312004585.db2.gz SJZUPXLGEAVBGU-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924966 1312004833 /nfs/dbraw/zinc/00/48/33/1312004833.db2.gz RGLWUXLDEVHJQO-ROUUACIJSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932520 1312007608 /nfs/dbraw/zinc/00/76/08/1312007608.db2.gz SUESKRVAXOKJAM-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161937648 1312008122 /nfs/dbraw/zinc/00/81/22/1312008122.db2.gz CEQMYGTUGGBTJW-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228865177 1312012507 /nfs/dbraw/zinc/01/25/07/1312012507.db2.gz VKLDJUCIJNMFHD-WBVHZDCISA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952337 1312012890 /nfs/dbraw/zinc/01/28/90/1312012890.db2.gz GTBUABMAZHEGOK-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952337 1312012892 /nfs/dbraw/zinc/01/28/92/1312012892.db2.gz GTBUABMAZHEGOK-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952337 1312012895 /nfs/dbraw/zinc/01/28/95/1312012895.db2.gz GTBUABMAZHEGOK-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952337 1312012898 /nfs/dbraw/zinc/01/28/98/1312012898.db2.gz GTBUABMAZHEGOK-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161987186 1312022458 /nfs/dbraw/zinc/02/24/58/1312022458.db2.gz RTPONDJRAXJWLB-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161987186 1312022461 /nfs/dbraw/zinc/02/24/61/1312022461.db2.gz RTPONDJRAXJWLB-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987186 1312022463 /nfs/dbraw/zinc/02/24/63/1312022463.db2.gz RTPONDJRAXJWLB-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987186 1312022465 /nfs/dbraw/zinc/02/24/65/1312022465.db2.gz RTPONDJRAXJWLB-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048845909 1312191745 /nfs/dbraw/zinc/19/17/45/1312191745.db2.gz RRDRDXYUJYITCR-CALCHBBNSA-N 2 1 347.528 2.780 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001162928562 1312205944 /nfs/dbraw/zinc/20/59/44/1312205944.db2.gz LCWJMBXOHJFXLW-IBGZPJMESA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001162929471 1312205984 /nfs/dbraw/zinc/20/59/84/1312205984.db2.gz ZFRHNXFZCRRCBB-IBGZPJMESA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001162928563 1312206205 /nfs/dbraw/zinc/20/62/05/1312206205.db2.gz LCWJMBXOHJFXLW-LJQANCHMSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286108 1312215001 /nfs/dbraw/zinc/21/50/01/1312215001.db2.gz ARCKBJOJASAIOD-GUDVDZBRSA-N 2 1 329.488 2.882 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001163001787 1312223259 /nfs/dbraw/zinc/22/32/59/1312223259.db2.gz PNYXSEXNHWEIAD-HXUWFJFHSA-N 2 1 343.515 2.565 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001163001786 1312223515 /nfs/dbraw/zinc/22/35/15/1312223515.db2.gz PNYXSEXNHWEIAD-FQEVSTJZSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374097 1312231572 /nfs/dbraw/zinc/23/15/72/1312231572.db2.gz ITUVSTXAAPWZRU-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081929 1312237076 /nfs/dbraw/zinc/23/70/76/1312237076.db2.gz NXFYWGOPUXELMD-OALUTQOASA-N 2 1 327.472 2.800 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001163160309 1312253356 /nfs/dbraw/zinc/25/33/56/1312253356.db2.gz SXXRVCPWCCTCQX-IHPCNDPISA-N 2 1 327.472 2.657 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001230564507 1312266051 /nfs/dbraw/zinc/26/60/51/1312266051.db2.gz UKYYEFHZJSCDOZ-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001230564507 1312266055 /nfs/dbraw/zinc/26/60/55/1312266055.db2.gz UKYYEFHZJSCDOZ-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001230564507 1312266057 /nfs/dbraw/zinc/26/60/57/1312266057.db2.gz UKYYEFHZJSCDOZ-MISYRCLQSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571229 1312268130 /nfs/dbraw/zinc/26/81/30/1312268130.db2.gz BXSJYUANUWJGEL-MSOLQXFVSA-N 2 1 339.499 2.555 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574377 1312269834 /nfs/dbraw/zinc/26/98/34/1312269834.db2.gz CIGJSYMGEAQNFA-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574377 1312269836 /nfs/dbraw/zinc/26/98/36/1312269836.db2.gz CIGJSYMGEAQNFA-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574377 1312269837 /nfs/dbraw/zinc/26/98/37/1312269837.db2.gz CIGJSYMGEAQNFA-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598731 1312279210 /nfs/dbraw/zinc/27/92/10/1312279210.db2.gz XTLGMMQWVLQLIO-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001230611622 1312283175 /nfs/dbraw/zinc/28/31/75/1312283175.db2.gz WDLGLTQWZFQNCW-FQEVSTJZSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611622 1312283178 /nfs/dbraw/zinc/28/31/78/1312283178.db2.gz WDLGLTQWZFQNCW-FQEVSTJZSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611622 1312283181 /nfs/dbraw/zinc/28/31/81/1312283181.db2.gz WDLGLTQWZFQNCW-FQEVSTJZSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835674 1312363136 /nfs/dbraw/zinc/36/31/36/1312363136.db2.gz RAURCBSHWQIEAJ-GOSISDBHSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846324 1312369461 /nfs/dbraw/zinc/36/94/61/1312369461.db2.gz FPYXORCXZPTTGX-IBGZPJMESA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230931591 1312395329 /nfs/dbraw/zinc/39/53/29/1312395329.db2.gz BJKZHXMAWRAJIF-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931591 1312395333 /nfs/dbraw/zinc/39/53/33/1312395333.db2.gz BJKZHXMAWRAJIF-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931591 1312395337 /nfs/dbraw/zinc/39/53/37/1312395337.db2.gz BJKZHXMAWRAJIF-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP CN(C)c1cc[nH+]c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000903198534 1312453489 /nfs/dbraw/zinc/45/34/89/1312453489.db2.gz LORIRLCUIHAZDU-UHFFFAOYSA-N 2 1 349.482 2.773 20 30 EFEDMP C[NH+](C)C1(CNc2cc(Cl)nc3[nH]cc(C#N)c32)CC[NH+](C)CC1 ZINC001164211561 1312469218 /nfs/dbraw/zinc/46/92/18/1312469218.db2.gz QDSJGXAFHUIKDL-UHFFFAOYSA-N 2 1 346.866 2.526 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578641 1312543349 /nfs/dbraw/zinc/54/33/49/1312543349.db2.gz KSPROSWXZVSAPY-MRXNPFEDSA-N 2 1 332.492 2.849 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578640 1312543625 /nfs/dbraw/zinc/54/36/25/1312543625.db2.gz KSPROSWXZVSAPY-INIZCTEOSA-N 2 1 332.492 2.849 20 30 EFEDMP Cc1[nH+]c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ccc1CC#N ZINC001165271210 1312599592 /nfs/dbraw/zinc/59/95/92/1312599592.db2.gz UHERLNDQJFYOQJ-HNNXBMFYSA-N 2 1 338.377 2.967 20 30 EFEDMP Cc1ccc(CC#N)c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)[nH+]1 ZINC001165270896 1312599773 /nfs/dbraw/zinc/59/97/73/1312599773.db2.gz QLRKTEREARWDBU-OAHLLOKOSA-N 2 1 338.377 2.967 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCCC)CC1 ZINC001165545724 1312645446 /nfs/dbraw/zinc/64/54/46/1312645446.db2.gz NPTQTJFTWQMGFG-IBGZPJMESA-N 2 1 347.547 2.931 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCCC)CC1 ZINC001165545724 1312645449 /nfs/dbraw/zinc/64/54/49/1312645449.db2.gz NPTQTJFTWQMGFG-IBGZPJMESA-N 2 1 347.547 2.931 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267473 1314465997 /nfs/dbraw/zinc/46/59/97/1314465997.db2.gz BBTPFXITYQZBMA-RTBURBONSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952418 1314511904 /nfs/dbraw/zinc/51/19/04/1314511904.db2.gz DLSMQUXJLQRFTE-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959000 1314518346 /nfs/dbraw/zinc/51/83/46/1314518346.db2.gz QCCIYJGNKFFCOZ-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP CCCCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021070 1314567648 /nfs/dbraw/zinc/56/76/48/1314567648.db2.gz LDGHFJAOBYIXEJ-GBESFXJTSA-N 2 1 328.541 2.910 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027851 1314598338 /nfs/dbraw/zinc/59/83/38/1314598338.db2.gz IDGZCDOXMQFSDS-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027827 1314598369 /nfs/dbraw/zinc/59/83/69/1314598369.db2.gz HRTZISNJLYXZFQ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027827 1314598376 /nfs/dbraw/zinc/59/83/76/1314598376.db2.gz HRTZISNJLYXZFQ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027827 1314598380 /nfs/dbraw/zinc/59/83/80/1314598380.db2.gz HRTZISNJLYXZFQ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029497 1314602474 /nfs/dbraw/zinc/60/24/74/1314602474.db2.gz SOQIVQOSPRTXAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029497 1314602478 /nfs/dbraw/zinc/60/24/78/1314602478.db2.gz SOQIVQOSPRTXAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029497 1314602482 /nfs/dbraw/zinc/60/24/82/1314602482.db2.gz SOQIVQOSPRTXAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001246302969 1314607369 /nfs/dbraw/zinc/60/73/69/1314607369.db2.gz FZRKWQZUSOVCRY-MOPGFXCFSA-N 2 1 330.472 2.669 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001246304438 1314608331 /nfs/dbraw/zinc/60/83/31/1314608331.db2.gz NBJKYXHYHVKPAU-CVEARBPZSA-N 2 1 334.485 2.520 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001246307192 1314608365 /nfs/dbraw/zinc/60/83/65/1314608365.db2.gz JZNBVCVPMZBTJY-QYZOEREBSA-N 2 1 346.471 2.723 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001246305426 1314608377 /nfs/dbraw/zinc/60/83/77/1314608377.db2.gz RKSFZIVXMMSMCB-HKUYNNGSSA-N 2 1 330.472 2.669 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246306870 1314608562 /nfs/dbraw/zinc/60/85/62/1314608562.db2.gz YSYIAODVMHAJAK-SJORKVTESA-N 2 1 336.863 2.624 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032282 1314608721 /nfs/dbraw/zinc/60/87/21/1314608721.db2.gz NSMAYFWNFQLLLC-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032282 1314608728 /nfs/dbraw/zinc/60/87/28/1314608728.db2.gz NSMAYFWNFQLLLC-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)cc(C#N)c21 ZINC001246330360 1314610786 /nfs/dbraw/zinc/61/07/86/1314610786.db2.gz YFUFUHNUTWBYSG-BIENJYKASA-N 2 1 338.455 2.834 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049876 1314635427 /nfs/dbraw/zinc/63/54/27/1314635427.db2.gz ATIRLOFGQLXCRK-MOPGFXCFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050121 1314636568 /nfs/dbraw/zinc/63/65/68/1314636568.db2.gz COPCWOXXKKXQGB-VQTJNVASSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052309 1314640071 /nfs/dbraw/zinc/64/00/71/1314640071.db2.gz UMAINXFRWWVDJL-MOPGFXCFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCCC[NH2+]C1)CC2 ZINC001246525173 1314642086 /nfs/dbraw/zinc/64/20/86/1314642086.db2.gz IJKCXESBHDEZLO-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246524832 1314642163 /nfs/dbraw/zinc/64/21/63/1314642163.db2.gz HWKYBUFRTFUNSE-IAGOWNOFSA-N 2 1 335.492 2.628 20 30 EFEDMP CCCCCCC[C@H](CCC)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246626733 1314660751 /nfs/dbraw/zinc/66/07/51/1314660751.db2.gz KOCGXKFJFNRLPU-FXAWDEMLSA-N 2 1 335.536 2.927 20 30 EFEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246631409 1314661603 /nfs/dbraw/zinc/66/16/03/1314661603.db2.gz XDXVFQTVUGMRFO-XLIONFOSSA-N 2 1 335.536 2.927 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001246669022 1314667110 /nfs/dbraw/zinc/66/71/10/1314667110.db2.gz SYGSYLANAWFCST-FUHIMQAGSA-N 2 1 334.504 2.986 20 30 EFEDMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246791417 1314682836 /nfs/dbraw/zinc/68/28/36/1314682836.db2.gz OQADYPXCDVIRIK-RTBURBONSA-N 2 1 326.488 2.847 20 30 EFEDMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246795111 1314683811 /nfs/dbraw/zinc/68/38/11/1314683811.db2.gz LUAICOAASNOJBF-AZUAARDMSA-N 2 1 326.488 2.991 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088190 1314696624 /nfs/dbraw/zinc/69/66/24/1314696624.db2.gz QUXBBDKTFUNPSD-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088190 1314696630 /nfs/dbraw/zinc/69/66/30/1314696630.db2.gz QUXBBDKTFUNPSD-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088190 1314696636 /nfs/dbraw/zinc/69/66/36/1314696636.db2.gz QUXBBDKTFUNPSD-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094580 1314706700 /nfs/dbraw/zinc/70/67/00/1314706700.db2.gz GBNKHCYEHCKKHH-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103888 1314723638 /nfs/dbraw/zinc/72/36/38/1314723638.db2.gz ARTXYWTZUALHMB-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001247008624 1314729854 /nfs/dbraw/zinc/72/98/54/1314729854.db2.gz YOBPZBALHHDGLC-MRXNPFEDSA-N 2 1 335.492 2.675 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855974 1314748373 /nfs/dbraw/zinc/74/83/73/1314748373.db2.gz SXCWSQQVJDVUGH-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401017734 1314792651 /nfs/dbraw/zinc/79/26/51/1314792651.db2.gz JJCAXCRCMUHNBJ-RCCFBDPRSA-N 2 1 349.519 2.567 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401017734 1314792655 /nfs/dbraw/zinc/79/26/55/1314792655.db2.gz JJCAXCRCMUHNBJ-RCCFBDPRSA-N 2 1 349.519 2.567 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247639778 1314813242 /nfs/dbraw/zinc/81/32/42/1314813242.db2.gz MOBQTCAOECPPKA-AWEZNQCLSA-N 2 1 327.432 2.914 20 30 EFEDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1 ZINC001247654300 1314816257 /nfs/dbraw/zinc/81/62/57/1314816257.db2.gz OSNKFBSQBGFURG-SFHVURJKSA-N 2 1 347.422 2.912 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC)CC1 ZINC001111456822 1314832501 /nfs/dbraw/zinc/83/25/01/1314832501.db2.gz XKGIUJWGAVWVEP-AQNXPRMDSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215541375 1314847543 /nfs/dbraw/zinc/84/75/43/1314847543.db2.gz ZWNHQMARQSVLNI-GPMSIDNRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCOc1ccc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c(F)c1 ZINC001248898242 1314995272 /nfs/dbraw/zinc/99/52/72/1314995272.db2.gz FIYDWMOYRGXWNG-MRXNPFEDSA-N 2 1 346.406 2.830 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993345 1315029045 /nfs/dbraw/zinc/02/90/45/1315029045.db2.gz AQECTCPXWVRXTO-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993345 1315029048 /nfs/dbraw/zinc/02/90/48/1315029048.db2.gz AQECTCPXWVRXTO-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218205655 1315163904 /nfs/dbraw/zinc/16/39/04/1315163904.db2.gz GQEOSFAPYBKOBD-HNNXBMFYSA-N 2 1 325.250 2.808 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001218337374 1315181410 /nfs/dbraw/zinc/18/14/10/1315181410.db2.gz UGWKWAHDBMUSEJ-OAQYLSRUSA-N 2 1 333.435 2.857 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001218337371 1315181475 /nfs/dbraw/zinc/18/14/75/1315181475.db2.gz UGWKWAHDBMUSEJ-NRFANRHFSA-N 2 1 333.435 2.857 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054044794 1315214125 /nfs/dbraw/zinc/21/41/25/1315214125.db2.gz DDLIBWPVVUSKOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054044794 1315214128 /nfs/dbraw/zinc/21/41/28/1315214128.db2.gz DDLIBWPVVUSKOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044794 1315214130 /nfs/dbraw/zinc/21/41/30/1315214130.db2.gz DDLIBWPVVUSKOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044794 1315214133 /nfs/dbraw/zinc/21/41/33/1315214133.db2.gz DDLIBWPVVUSKOD-WOJBJXKFSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054044791 1315214581 /nfs/dbraw/zinc/21/45/81/1315214581.db2.gz DDLIBWPVVUSKOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054044791 1315214586 /nfs/dbraw/zinc/21/45/86/1315214586.db2.gz DDLIBWPVVUSKOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044791 1315214588 /nfs/dbraw/zinc/21/45/88/1315214588.db2.gz DDLIBWPVVUSKOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044791 1315214594 /nfs/dbraw/zinc/21/45/94/1315214594.db2.gz DDLIBWPVVUSKOD-PMACEKPBSA-N 2 1 341.499 2.590 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001278588302 1315236826 /nfs/dbraw/zinc/23/68/26/1315236826.db2.gz ROSCUQUCKSAZPG-UHFFFAOYSA-N 2 1 349.482 2.743 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129238 1315337173 /nfs/dbraw/zinc/33/71/73/1315337173.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129238 1315337179 /nfs/dbraw/zinc/33/71/79/1315337179.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129238 1315337183 /nfs/dbraw/zinc/33/71/83/1315337183.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143712 1315361068 /nfs/dbraw/zinc/36/10/68/1315361068.db2.gz IMVCUTNRWMHPHM-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145236 1315363835 /nfs/dbraw/zinc/36/38/35/1315363835.db2.gz NKBUBHZQCDDBMR-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145366 1315363885 /nfs/dbraw/zinc/36/38/85/1315363885.db2.gz ODTJLEUJDHKKFL-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145366 1315363891 /nfs/dbraw/zinc/36/38/91/1315363891.db2.gz ODTJLEUJDHKKFL-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145366 1315363895 /nfs/dbraw/zinc/36/38/95/1315363895.db2.gz ODTJLEUJDHKKFL-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145574 1315365931 /nfs/dbraw/zinc/36/59/31/1315365931.db2.gz SESYWVYHMUFREJ-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145574 1315365937 /nfs/dbraw/zinc/36/59/37/1315365937.db2.gz SESYWVYHMUFREJ-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145574 1315365942 /nfs/dbraw/zinc/36/59/42/1315365942.db2.gz SESYWVYHMUFREJ-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145573 1315365951 /nfs/dbraw/zinc/36/59/51/1315365951.db2.gz SESYWVYHMUFREJ-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145573 1315365955 /nfs/dbraw/zinc/36/59/55/1315365955.db2.gz SESYWVYHMUFREJ-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145573 1315365958 /nfs/dbraw/zinc/36/59/58/1315365958.db2.gz SESYWVYHMUFREJ-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147129 1315367764 /nfs/dbraw/zinc/36/77/64/1315367764.db2.gz KTMDZYIBBDIKDO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147129 1315367768 /nfs/dbraw/zinc/36/77/68/1315367768.db2.gz KTMDZYIBBDIKDO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147129 1315367772 /nfs/dbraw/zinc/36/77/72/1315367772.db2.gz KTMDZYIBBDIKDO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054158704 1315385908 /nfs/dbraw/zinc/38/59/08/1315385908.db2.gz ANQZAWRAJVGHMU-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160042 1315387769 /nfs/dbraw/zinc/38/77/69/1315387769.db2.gz UAIRNTRFLCNYJJ-HXUWFJFHSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170175 1315404131 /nfs/dbraw/zinc/40/41/31/1315404131.db2.gz CIBCLXYAMYATAO-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCCNC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220484442 1315418881 /nfs/dbraw/zinc/41/88/81/1315418881.db2.gz FDQFKMNTTXJTHX-TZIWHRDSSA-N 2 1 341.499 2.571 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186589 1315427584 /nfs/dbraw/zinc/42/75/84/1315427584.db2.gz WMKVPBKFEUKPAY-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192417 1315433135 /nfs/dbraw/zinc/43/31/35/1315433135.db2.gz XKGCPVLXHJYNEZ-AEFFLSMTSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197324 1315441344 /nfs/dbraw/zinc/44/13/44/1315441344.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197324 1315441346 /nfs/dbraw/zinc/44/13/46/1315441346.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197324 1315441348 /nfs/dbraw/zinc/44/13/48/1315441348.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197467 1315441940 /nfs/dbraw/zinc/44/19/40/1315441940.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197467 1315441947 /nfs/dbraw/zinc/44/19/47/1315441947.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197467 1315441952 /nfs/dbraw/zinc/44/19/52/1315441952.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204743 1315452223 /nfs/dbraw/zinc/45/22/23/1315452223.db2.gz CDTDWZOPNUTJSF-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204743 1315452227 /nfs/dbraw/zinc/45/22/27/1315452227.db2.gz CDTDWZOPNUTJSF-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220868802 1315458588 /nfs/dbraw/zinc/45/85/88/1315458588.db2.gz VBDOFEHKTZPUCC-FHWLQOOXSA-N 2 1 327.472 2.636 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209475 1315460645 /nfs/dbraw/zinc/46/06/45/1315460645.db2.gz QYQMCYOGXQDSSY-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549463 1315465947 /nfs/dbraw/zinc/46/59/47/1315465947.db2.gz FHKZNVMYOURAMM-NBYUQASBSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549463 1315465952 /nfs/dbraw/zinc/46/59/52/1315465952.db2.gz FHKZNVMYOURAMM-NBYUQASBSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549463 1315465955 /nfs/dbraw/zinc/46/59/55/1315465955.db2.gz FHKZNVMYOURAMM-NBYUQASBSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549463 1315465957 /nfs/dbraw/zinc/46/59/57/1315465957.db2.gz FHKZNVMYOURAMM-NBYUQASBSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549464 1315466060 /nfs/dbraw/zinc/46/60/60/1315466060.db2.gz FHKZNVMYOURAMM-RNQOJCNYSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549464 1315466064 /nfs/dbraw/zinc/46/60/64/1315466064.db2.gz FHKZNVMYOURAMM-RNQOJCNYSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549464 1315466068 /nfs/dbraw/zinc/46/60/68/1315466068.db2.gz FHKZNVMYOURAMM-RNQOJCNYSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252549464 1315466073 /nfs/dbraw/zinc/46/60/73/1315466073.db2.gz FHKZNVMYOURAMM-RNQOJCNYSA-N 2 1 329.488 2.551 20 30 EFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001252598703 1315473417 /nfs/dbraw/zinc/47/34/17/1315473417.db2.gz PTNWMDFGMBKKNQ-LJQANCHMSA-N 2 1 329.488 2.697 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001252598702 1315473919 /nfs/dbraw/zinc/47/39/19/1315473919.db2.gz PTNWMDFGMBKKNQ-IBGZPJMESA-N 2 1 329.488 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223448 1315480955 /nfs/dbraw/zinc/48/09/55/1315480955.db2.gz VGLQARLQOPLCRP-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP Cc1ccc(C(=[NH2+])NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001252951556 1315542155 /nfs/dbraw/zinc/54/21/55/1315542155.db2.gz STXVWEZVOBOBAL-NRFANRHFSA-N 2 1 337.467 2.646 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153003 1315547797 /nfs/dbraw/zinc/54/77/97/1315547797.db2.gz MRGLHDYCKRHTKQ-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153003 1315547803 /nfs/dbraw/zinc/54/78/03/1315547803.db2.gz MRGLHDYCKRHTKQ-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153003 1315547807 /nfs/dbraw/zinc/54/78/07/1315547807.db2.gz MRGLHDYCKRHTKQ-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154095 1315549491 /nfs/dbraw/zinc/54/94/91/1315549491.db2.gz PJNBGQLSOPDVAX-RBUKOAKNSA-N 2 1 335.536 2.709 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552914 1315549908 /nfs/dbraw/zinc/54/99/08/1315549908.db2.gz JUHDMUMKDLWUEE-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039154680 1315550247 /nfs/dbraw/zinc/55/02/47/1315550247.db2.gz DQMJYMIRSXDUAS-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557412 1315551782 /nfs/dbraw/zinc/55/17/82/1315551782.db2.gz FFKOUEWIRJHAET-HSALFYBXSA-N 2 1 347.547 2.831 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616130 1315562977 /nfs/dbraw/zinc/56/29/77/1315562977.db2.gz FPJISIRHEJSHHN-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616532 1315564295 /nfs/dbraw/zinc/56/42/95/1315564295.db2.gz OIQCJRZUAAFSED-GUDVDZBRSA-N 2 1 335.536 2.830 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620390 1315564880 /nfs/dbraw/zinc/56/48/80/1315564880.db2.gz CFYHWNSOYSNXOR-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620390 1315564885 /nfs/dbraw/zinc/56/48/85/1315564885.db2.gz CFYHWNSOYSNXOR-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620390 1315564887 /nfs/dbraw/zinc/56/48/87/1315564887.db2.gz CFYHWNSOYSNXOR-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565311 /nfs/dbraw/zinc/56/53/11/1315565311.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565314 /nfs/dbraw/zinc/56/53/14/1315565314.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565317 /nfs/dbraw/zinc/56/53/17/1315565317.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566650 /nfs/dbraw/zinc/56/66/50/1315566650.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566652 /nfs/dbraw/zinc/56/66/52/1315566652.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566654 /nfs/dbraw/zinc/56/66/54/1315566654.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647142 1315569400 /nfs/dbraw/zinc/56/94/00/1315569400.db2.gz SNJUUIOHQCRIQG-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647142 1315569401 /nfs/dbraw/zinc/56/94/01/1315569401.db2.gz SNJUUIOHQCRIQG-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647142 1315569403 /nfs/dbraw/zinc/56/94/03/1315569403.db2.gz SNJUUIOHQCRIQG-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001253190960 1315578233 /nfs/dbraw/zinc/57/82/33/1315578233.db2.gz UOIMHKVFXKATBF-FQEVSTJZSA-N 2 1 329.488 2.515 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253238291 1315583524 /nfs/dbraw/zinc/58/35/24/1315583524.db2.gz CCOBBHMRSRLHOR-SFHVURJKSA-N 2 1 342.524 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179928 1315586589 /nfs/dbraw/zinc/58/65/89/1315586589.db2.gz JDJJSSBVPFICPC-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181998 1315588941 /nfs/dbraw/zinc/58/89/41/1315588941.db2.gz GXBNUNQSFBESGC-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182494 1315589856 /nfs/dbraw/zinc/58/98/56/1315589856.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182494 1315589858 /nfs/dbraw/zinc/58/98/58/1315589858.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182494 1315589860 /nfs/dbraw/zinc/58/98/60/1315589860.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182670 1315590748 /nfs/dbraw/zinc/59/07/48/1315590748.db2.gz QPTWPXACSCKHGA-IBGZPJMESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226565 1315647781 /nfs/dbraw/zinc/64/77/81/1315647781.db2.gz WHNJKOSDXCKQPJ-RBUKOAKNSA-N 2 1 344.503 2.942 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228549 1315650632 /nfs/dbraw/zinc/65/06/32/1315650632.db2.gz JFYFUJLXNHRWSG-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233683 1315657883 /nfs/dbraw/zinc/65/78/83/1315657883.db2.gz DIBUPIMCERLTDX-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233683 1315657886 /nfs/dbraw/zinc/65/78/86/1315657886.db2.gz DIBUPIMCERLTDX-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233683 1315657888 /nfs/dbraw/zinc/65/78/88/1315657888.db2.gz DIBUPIMCERLTDX-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250168 1315681938 /nfs/dbraw/zinc/68/19/38/1315681938.db2.gz JGPOILWHRMDXFW-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039276901 1315697997 /nfs/dbraw/zinc/69/79/97/1315697997.db2.gz PTLIJWGNLGTTPO-IPQPSQTFSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039288844 1315703526 /nfs/dbraw/zinc/70/35/26/1315703526.db2.gz IYYSVTMYZWXHDZ-MSRNWOCLSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039307620 1315711504 /nfs/dbraw/zinc/71/15/04/1315711504.db2.gz PWCPHBHTYCCKNL-XYTVBORESA-N 2 1 339.911 2.582 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517256 1315713575 /nfs/dbraw/zinc/71/35/75/1315713575.db2.gz SQCCTHDDOBNMJJ-PKOBYXMFSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517256 1315713576 /nfs/dbraw/zinc/71/35/76/1315713576.db2.gz SQCCTHDDOBNMJJ-PKOBYXMFSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517256 1315713579 /nfs/dbraw/zinc/71/35/79/1315713579.db2.gz SQCCTHDDOBNMJJ-PKOBYXMFSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254517821 1315713659 /nfs/dbraw/zinc/71/36/59/1315713659.db2.gz YURONMFIBQVMGJ-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001254645994 1315734847 /nfs/dbraw/zinc/73/48/47/1315734847.db2.gz IOAQZBJWQRKXSH-HAGHYFMRSA-N 2 1 330.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384944 1315754336 /nfs/dbraw/zinc/75/43/36/1315754336.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384944 1315754340 /nfs/dbraw/zinc/75/43/40/1315754340.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384944 1315754343 /nfs/dbraw/zinc/75/43/43/1315754343.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039385181 1315754838 /nfs/dbraw/zinc/75/48/38/1315754838.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385181 1315754842 /nfs/dbraw/zinc/75/48/42/1315754842.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385181 1315754846 /nfs/dbraw/zinc/75/48/46/1315754846.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039387066 1315756480 /nfs/dbraw/zinc/75/64/80/1315756480.db2.gz QGRCAEODSFDNLX-FGTMMUONSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039387066 1315756481 /nfs/dbraw/zinc/75/64/81/1315756481.db2.gz QGRCAEODSFDNLX-FGTMMUONSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386900 1315756487 /nfs/dbraw/zinc/75/64/87/1315756487.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386900 1315756490 /nfs/dbraw/zinc/75/64/90/1315756490.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386900 1315756492 /nfs/dbraw/zinc/75/64/92/1315756492.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039397962 1315764489 /nfs/dbraw/zinc/76/44/89/1315764489.db2.gz IIEDAHVLOPZFOF-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397962 1315764490 /nfs/dbraw/zinc/76/44/90/1315764490.db2.gz IIEDAHVLOPZFOF-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397962 1315764492 /nfs/dbraw/zinc/76/44/92/1315764492.db2.gz IIEDAHVLOPZFOF-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410961 1315773520 /nfs/dbraw/zinc/77/35/20/1315773520.db2.gz FMPGQIVHTAUNSD-CEXWTWQISA-N 2 1 331.504 2.502 20 30 EFEDMP C[NH+]1CCC(C#N)(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132942 1315780290 /nfs/dbraw/zinc/78/02/90/1315780290.db2.gz NTKMTAZVCKQOCE-ACDBMABISA-N 2 1 338.499 2.760 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NO ZINC001255134438 1315781265 /nfs/dbraw/zinc/78/12/65/1315781265.db2.gz BONIOOJSUVSWLN-UJCHZGTJSA-N 2 1 345.487 2.692 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NO ZINC001255134438 1315781267 /nfs/dbraw/zinc/78/12/67/1315781267.db2.gz BONIOOJSUVSWLN-UJCHZGTJSA-N 2 1 345.487 2.692 20 30 EFEDMP CC[C@@H](CC#N)[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001255170453 1315786603 /nfs/dbraw/zinc/78/66/03/1315786603.db2.gz RZQQLKZXLBXHSS-IBGZPJMESA-N 2 1 342.487 2.688 20 30 EFEDMP CC[C@@H](CC#N)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255170453 1315786606 /nfs/dbraw/zinc/78/66/06/1315786606.db2.gz RZQQLKZXLBXHSS-IBGZPJMESA-N 2 1 342.487 2.688 20 30 EFEDMP C=CCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255389309 1315815874 /nfs/dbraw/zinc/81/58/74/1315815874.db2.gz FLRRDRBJKJJZPR-WOJBJXKFSA-N 2 1 341.499 2.808 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039475025 1315817710 /nfs/dbraw/zinc/81/77/10/1315817710.db2.gz ZPQKCSPNISTNIA-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039475025 1315817714 /nfs/dbraw/zinc/81/77/14/1315817714.db2.gz ZPQKCSPNISTNIA-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP CN1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478361 1315828575 /nfs/dbraw/zinc/82/85/75/1315828575.db2.gz UORKMJOKGQAHDL-VAMGGRTRSA-N 2 1 326.488 2.724 20 30 EFEDMP C=CCN1C(=O)CCC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676864 1315856536 /nfs/dbraw/zinc/85/65/36/1315856536.db2.gz IYOLUVYPRXBATP-JWTNVVGKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078222 1315901238 /nfs/dbraw/zinc/90/12/38/1315901238.db2.gz XKFUCHAABFBNQA-PMACEKPBSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078222 1315901239 /nfs/dbraw/zinc/90/12/39/1315901239.db2.gz XKFUCHAABFBNQA-PMACEKPBSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076305 1315901392 /nfs/dbraw/zinc/90/13/92/1315901392.db2.gz XPOUXKFTZZCLSY-HXUWFJFHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076305 1315901394 /nfs/dbraw/zinc/90/13/94/1315901394.db2.gz XPOUXKFTZZCLSY-HXUWFJFHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256623896 1315970610 /nfs/dbraw/zinc/97/06/10/1315970610.db2.gz NKJFIFIOIMHERC-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256623896 1315970613 /nfs/dbraw/zinc/97/06/13/1315970613.db2.gz NKJFIFIOIMHERC-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256623896 1315970614 /nfs/dbraw/zinc/97/06/14/1315970614.db2.gz NKJFIFIOIMHERC-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622965 1315970641 /nfs/dbraw/zinc/97/06/41/1315970641.db2.gz MLYALJTXBLKTDA-MJIXASBWSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622965 1315970643 /nfs/dbraw/zinc/97/06/43/1315970643.db2.gz MLYALJTXBLKTDA-MJIXASBWSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622965 1315970645 /nfs/dbraw/zinc/97/06/45/1315970645.db2.gz MLYALJTXBLKTDA-MJIXASBWSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622968 1315970803 /nfs/dbraw/zinc/97/08/03/1315970803.db2.gz MLYALJTXBLKTDA-WSCSCYJOSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622968 1315970806 /nfs/dbraw/zinc/97/08/06/1315970806.db2.gz MLYALJTXBLKTDA-WSCSCYJOSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622968 1315970808 /nfs/dbraw/zinc/97/08/08/1315970808.db2.gz MLYALJTXBLKTDA-WSCSCYJOSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652215 1315975474 /nfs/dbraw/zinc/97/54/74/1315975474.db2.gz VTRSACUZDGCLRJ-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652215 1315975478 /nfs/dbraw/zinc/97/54/78/1315975478.db2.gz VTRSACUZDGCLRJ-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652215 1315975483 /nfs/dbraw/zinc/97/54/83/1315975483.db2.gz VTRSACUZDGCLRJ-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652214 1315975675 /nfs/dbraw/zinc/97/56/75/1315975675.db2.gz VTRSACUZDGCLRJ-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652214 1315975680 /nfs/dbraw/zinc/97/56/80/1315975680.db2.gz VTRSACUZDGCLRJ-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652214 1315975683 /nfs/dbraw/zinc/97/56/83/1315975683.db2.gz VTRSACUZDGCLRJ-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)CC ZINC001256850322 1315999001 /nfs/dbraw/zinc/99/90/01/1315999001.db2.gz YHPAQMARMHGUHB-YJBOKZPZSA-N 2 1 331.460 2.784 20 30 EFEDMP C[N@H+]1CCCN(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257011209 1316021493 /nfs/dbraw/zinc/02/14/93/1316021493.db2.gz ZDXFUWJXCBCHQE-UHFFFAOYSA-N 2 1 340.515 2.812 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215309 1316047583 /nfs/dbraw/zinc/04/75/83/1316047583.db2.gz AYUMTXNXGXOLFC-VQTJNVASSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215309 1316047584 /nfs/dbraw/zinc/04/75/84/1316047584.db2.gz AYUMTXNXGXOLFC-VQTJNVASSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215307 1316047984 /nfs/dbraw/zinc/04/79/84/1316047984.db2.gz AYUMTXNXGXOLFC-PMACEKPBSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215307 1316047986 /nfs/dbraw/zinc/04/79/86/1316047986.db2.gz AYUMTXNXGXOLFC-PMACEKPBSA-N 2 1 336.520 2.933 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206914 1316143718 /nfs/dbraw/zinc/14/37/18/1316143718.db2.gz ARVYWHHPMPCYOG-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209164 1316144268 /nfs/dbraw/zinc/14/42/68/1316144268.db2.gz GTIYZLFTXDFFFE-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209164 1316144271 /nfs/dbraw/zinc/14/42/71/1316144271.db2.gz GTIYZLFTXDFFFE-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040210001 1316144945 /nfs/dbraw/zinc/14/49/45/1316144945.db2.gz MSEMACFTCYSXII-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040210001 1316144947 /nfs/dbraw/zinc/14/49/47/1316144947.db2.gz MSEMACFTCYSXII-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040210001 1316144948 /nfs/dbraw/zinc/14/49/48/1316144948.db2.gz MSEMACFTCYSXII-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040241139 1316160641 /nfs/dbraw/zinc/16/06/41/1316160641.db2.gz MFFHNZOJRBEWED-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241139 1316160643 /nfs/dbraw/zinc/16/06/43/1316160643.db2.gz MFFHNZOJRBEWED-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241139 1316160647 /nfs/dbraw/zinc/16/06/47/1316160647.db2.gz MFFHNZOJRBEWED-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241690 1316161339 /nfs/dbraw/zinc/16/13/39/1316161339.db2.gz RCSXMMOHIMXJJY-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241690 1316161341 /nfs/dbraw/zinc/16/13/41/1316161341.db2.gz RCSXMMOHIMXJJY-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241690 1316161342 /nfs/dbraw/zinc/16/13/42/1316161342.db2.gz RCSXMMOHIMXJJY-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241873 1316161893 /nfs/dbraw/zinc/16/18/93/1316161893.db2.gz VCEHJILZSLISAE-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241873 1316161895 /nfs/dbraw/zinc/16/18/95/1316161895.db2.gz VCEHJILZSLISAE-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241873 1316161898 /nfs/dbraw/zinc/16/18/98/1316161898.db2.gz VCEHJILZSLISAE-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241870 1316162108 /nfs/dbraw/zinc/16/21/08/1316162108.db2.gz VCEHJILZSLISAE-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241870 1316162112 /nfs/dbraw/zinc/16/21/12/1316162112.db2.gz VCEHJILZSLISAE-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241870 1316162115 /nfs/dbraw/zinc/16/21/15/1316162115.db2.gz VCEHJILZSLISAE-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241872 1316162144 /nfs/dbraw/zinc/16/21/44/1316162144.db2.gz VCEHJILZSLISAE-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241872 1316162145 /nfs/dbraw/zinc/16/21/45/1316162145.db2.gz VCEHJILZSLISAE-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241872 1316162148 /nfs/dbraw/zinc/16/21/48/1316162148.db2.gz VCEHJILZSLISAE-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244014 1316163570 /nfs/dbraw/zinc/16/35/70/1316163570.db2.gz FMLTWIIMBZHMHG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244014 1316163571 /nfs/dbraw/zinc/16/35/71/1316163571.db2.gz FMLTWIIMBZHMHG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244014 1316163573 /nfs/dbraw/zinc/16/35/73/1316163573.db2.gz FMLTWIIMBZHMHG-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258728400 1316173700 /nfs/dbraw/zinc/17/37/00/1316173700.db2.gz ORWDOLRJMWJYHD-INIZCTEOSA-N 2 1 332.492 2.646 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774044 1316177337 /nfs/dbraw/zinc/17/73/37/1316177337.db2.gz UQMIEMCSVAFFEH-VQTJNVASSA-N 2 1 336.520 2.935 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774045 1316177474 /nfs/dbraw/zinc/17/74/74/1316177474.db2.gz UQMIEMCSVAFFEH-WOJBJXKFSA-N 2 1 336.520 2.935 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275247 1316178992 /nfs/dbraw/zinc/17/89/92/1316178992.db2.gz JUZCXHJIMAMWOW-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275247 1316178993 /nfs/dbraw/zinc/17/89/93/1316178993.db2.gz JUZCXHJIMAMWOW-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275247 1316178995 /nfs/dbraw/zinc/17/89/95/1316178995.db2.gz JUZCXHJIMAMWOW-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347654 1316214010 /nfs/dbraw/zinc/21/40/10/1316214010.db2.gz LRKLBLRCVLLGMM-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347654 1316214014 /nfs/dbraw/zinc/21/40/14/1316214014.db2.gz LRKLBLRCVLLGMM-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347654 1316214017 /nfs/dbraw/zinc/21/40/17/1316214017.db2.gz LRKLBLRCVLLGMM-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354914 1316217901 /nfs/dbraw/zinc/21/79/01/1316217901.db2.gz VGSGQBICZZATGA-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354914 1316217904 /nfs/dbraw/zinc/21/79/04/1316217904.db2.gz VGSGQBICZZATGA-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354914 1316217908 /nfs/dbraw/zinc/21/79/08/1316217908.db2.gz VGSGQBICZZATGA-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355315 1316218587 /nfs/dbraw/zinc/21/85/87/1316218587.db2.gz ANCNXZVPXFIVNR-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421116 1316254643 /nfs/dbraw/zinc/25/46/43/1316254643.db2.gz FHLFTFVDAVTYAN-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421116 1316254645 /nfs/dbraw/zinc/25/46/45/1316254645.db2.gz FHLFTFVDAVTYAN-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492681 1316292100 /nfs/dbraw/zinc/29/21/00/1316292100.db2.gz DFKZHAVUFNJSPS-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492681 1316292101 /nfs/dbraw/zinc/29/21/01/1316292101.db2.gz DFKZHAVUFNJSPS-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492681 1316292104 /nfs/dbraw/zinc/29/21/04/1316292104.db2.gz DFKZHAVUFNJSPS-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542696 1316315407 /nfs/dbraw/zinc/31/54/07/1316315407.db2.gz COAHWQIAEUYDFP-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545375 1316316359 /nfs/dbraw/zinc/31/63/59/1316316359.db2.gz ONKSLGXIBSADDE-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040701388 1316354798 /nfs/dbraw/zinc/35/47/98/1316354798.db2.gz JHVPGFHWOQGTGJ-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705772 1316355960 /nfs/dbraw/zinc/35/59/60/1316355960.db2.gz KHBUAGJPUWMEOK-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705771 1316356241 /nfs/dbraw/zinc/35/62/41/1316356241.db2.gz KHBUAGJPUWMEOK-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109774 1316359476 /nfs/dbraw/zinc/35/94/76/1316359476.db2.gz MNXGODAIPWZLHR-SJORKVTESA-N 2 1 345.487 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729400 1316361210 /nfs/dbraw/zinc/36/12/10/1316361210.db2.gz JXIHIWAOAPAPHP-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745551 1316365387 /nfs/dbraw/zinc/36/53/87/1316365387.db2.gz OEARKRPDRHLDLU-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746082 1316365464 /nfs/dbraw/zinc/36/54/64/1316365464.db2.gz VNSVYTPFGSUEKM-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040816970 1316381610 /nfs/dbraw/zinc/38/16/10/1316381610.db2.gz ITVPVUMMZYSWKK-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817927 1316381888 /nfs/dbraw/zinc/38/18/88/1316381888.db2.gz XLDCKYXGHQCKHF-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875135 1316394906 /nfs/dbraw/zinc/39/49/06/1316394906.db2.gz SHJBDLZXLFFNGC-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882554 1316397024 /nfs/dbraw/zinc/39/70/24/1316397024.db2.gz FSIULVUWDZISFK-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460853 1316459783 /nfs/dbraw/zinc/45/97/83/1316459783.db2.gz ZIGJHJNCMYALFP-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276169 1316499063 /nfs/dbraw/zinc/49/90/63/1316499063.db2.gz HOHBZSABAUNAJF-WMZOPIPTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276169 1316499066 /nfs/dbraw/zinc/49/90/66/1316499066.db2.gz HOHBZSABAUNAJF-WMZOPIPTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276169 1316499069 /nfs/dbraw/zinc/49/90/69/1316499069.db2.gz HOHBZSABAUNAJF-WMZOPIPTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276169 1316499070 /nfs/dbraw/zinc/49/90/70/1316499070.db2.gz HOHBZSABAUNAJF-WMZOPIPTSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300990 1316506625 /nfs/dbraw/zinc/50/66/25/1316506625.db2.gz KYOUMORXCJWLDM-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300990 1316506628 /nfs/dbraw/zinc/50/66/28/1316506628.db2.gz KYOUMORXCJWLDM-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339702 1316519858 /nfs/dbraw/zinc/51/98/58/1316519858.db2.gz PYKHAIWZMWLZJC-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339702 1316519860 /nfs/dbraw/zinc/51/98/60/1316519860.db2.gz PYKHAIWZMWLZJC-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339702 1316519863 /nfs/dbraw/zinc/51/98/63/1316519863.db2.gz PYKHAIWZMWLZJC-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339702 1316519865 /nfs/dbraw/zinc/51/98/65/1316519865.db2.gz PYKHAIWZMWLZJC-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358813 1316526681 /nfs/dbraw/zinc/52/66/81/1316526681.db2.gz QXAFGASXWSDTEX-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358813 1316526684 /nfs/dbraw/zinc/52/66/84/1316526684.db2.gz QXAFGASXWSDTEX-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358454 1316526798 /nfs/dbraw/zinc/52/67/98/1316526798.db2.gz OKILEMNAPUHEPV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358454 1316526801 /nfs/dbraw/zinc/52/68/01/1316526801.db2.gz OKILEMNAPUHEPV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358454 1316526803 /nfs/dbraw/zinc/52/68/03/1316526803.db2.gz OKILEMNAPUHEPV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358376 1316527232 /nfs/dbraw/zinc/52/72/32/1316527232.db2.gz NKMHXLHMENJVBH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358376 1316527234 /nfs/dbraw/zinc/52/72/34/1316527234.db2.gz NKMHXLHMENJVBH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358376 1316527238 /nfs/dbraw/zinc/52/72/38/1316527238.db2.gz NKMHXLHMENJVBH-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358027 1316527278 /nfs/dbraw/zinc/52/72/78/1316527278.db2.gz KNTXZZPWWCPCMX-UYAOXDASSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358027 1316527280 /nfs/dbraw/zinc/52/72/80/1316527280.db2.gz KNTXZZPWWCPCMX-UYAOXDASSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358027 1316527284 /nfs/dbraw/zinc/52/72/84/1316527284.db2.gz KNTXZZPWWCPCMX-UYAOXDASSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041369680 1316530619 /nfs/dbraw/zinc/53/06/19/1316530619.db2.gz BHQSAYKLHVITFE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369680 1316530621 /nfs/dbraw/zinc/53/06/21/1316530621.db2.gz BHQSAYKLHVITFE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369680 1316530624 /nfs/dbraw/zinc/53/06/24/1316530624.db2.gz BHQSAYKLHVITFE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369680 1316530627 /nfs/dbraw/zinc/53/06/27/1316530627.db2.gz BHQSAYKLHVITFE-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371084 1316530678 /nfs/dbraw/zinc/53/06/78/1316530678.db2.gz KCGGVEVCDAUKLL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371084 1316530681 /nfs/dbraw/zinc/53/06/81/1316530681.db2.gz KCGGVEVCDAUKLL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371084 1316530684 /nfs/dbraw/zinc/53/06/84/1316530684.db2.gz KCGGVEVCDAUKLL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424476 1316549041 /nfs/dbraw/zinc/54/90/41/1316549041.db2.gz LGRDHAISMDYTDG-HXUWFJFHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424476 1316549042 /nfs/dbraw/zinc/54/90/42/1316549042.db2.gz LGRDHAISMDYTDG-HXUWFJFHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424476 1316549045 /nfs/dbraw/zinc/54/90/45/1316549045.db2.gz LGRDHAISMDYTDG-HXUWFJFHSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549080 /nfs/dbraw/zinc/54/90/80/1316549080.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549083 /nfs/dbraw/zinc/54/90/83/1316549083.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549086 /nfs/dbraw/zinc/54/90/86/1316549086.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041430170 1316550324 /nfs/dbraw/zinc/55/03/24/1316550324.db2.gz AXHWEKUTMLWXEA-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430170 1316550326 /nfs/dbraw/zinc/55/03/26/1316550326.db2.gz AXHWEKUTMLWXEA-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430170 1316550327 /nfs/dbraw/zinc/55/03/27/1316550327.db2.gz AXHWEKUTMLWXEA-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433156 1316550621 /nfs/dbraw/zinc/55/06/21/1316550621.db2.gz VRZUZWYXFKSVQZ-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433156 1316550622 /nfs/dbraw/zinc/55/06/22/1316550622.db2.gz VRZUZWYXFKSVQZ-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433156 1316550624 /nfs/dbraw/zinc/55/06/24/1316550624.db2.gz VRZUZWYXFKSVQZ-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433157 1316550968 /nfs/dbraw/zinc/55/09/68/1316550968.db2.gz VRZUZWYXFKSVQZ-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433157 1316550969 /nfs/dbraw/zinc/55/09/69/1316550969.db2.gz VRZUZWYXFKSVQZ-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433157 1316550970 /nfs/dbraw/zinc/55/09/70/1316550970.db2.gz VRZUZWYXFKSVQZ-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477217 1316563035 /nfs/dbraw/zinc/56/30/35/1316563035.db2.gz ZGJAPJBNWUKUFC-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536213 1316580783 /nfs/dbraw/zinc/58/07/83/1316580783.db2.gz NFCAIEHIUJGHQJ-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536213 1316580786 /nfs/dbraw/zinc/58/07/86/1316580786.db2.gz NFCAIEHIUJGHQJ-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724069 1316666859 /nfs/dbraw/zinc/66/68/59/1316666859.db2.gz NMMVJIRSEILMKC-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724069 1316666862 /nfs/dbraw/zinc/66/68/62/1316666862.db2.gz NMMVJIRSEILMKC-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724341 1316666908 /nfs/dbraw/zinc/66/69/08/1316666908.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724341 1316666910 /nfs/dbraw/zinc/66/69/10/1316666910.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724341 1316666912 /nfs/dbraw/zinc/66/69/12/1316666912.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778696 1316694093 /nfs/dbraw/zinc/69/40/93/1316694093.db2.gz DYXYDVDZZCHWFT-RTWAWAEBSA-N 2 1 341.499 2.574 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791332 1316701105 /nfs/dbraw/zinc/70/11/05/1316701105.db2.gz JQRWWUBGOKBBBW-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791332 1316701108 /nfs/dbraw/zinc/70/11/08/1316701108.db2.gz JQRWWUBGOKBBBW-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843373 1316729752 /nfs/dbraw/zinc/72/97/52/1316729752.db2.gz QYYXNUFQOBYXHP-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844154 1316729817 /nfs/dbraw/zinc/72/98/17/1316729817.db2.gz DSUCLURVKTVGNG-SFHVURJKSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844154 1316729820 /nfs/dbraw/zinc/72/98/20/1316729820.db2.gz DSUCLURVKTVGNG-SFHVURJKSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844954 1316731468 /nfs/dbraw/zinc/73/14/68/1316731468.db2.gz QGIGWUIXBMPNTG-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845390 1316731661 /nfs/dbraw/zinc/73/16/61/1316731661.db2.gz XTMSTLMZISAJAF-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845970 1316731869 /nfs/dbraw/zinc/73/18/69/1316731869.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845970 1316731871 /nfs/dbraw/zinc/73/18/71/1316731871.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845970 1316731873 /nfs/dbraw/zinc/73/18/73/1316731873.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845574 1316731882 /nfs/dbraw/zinc/73/18/82/1316731882.db2.gz IRXLTMBXYXDNNB-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846076 1316732183 /nfs/dbraw/zinc/73/21/83/1316732183.db2.gz WLBSFPIHPIZJPK-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845966 1316732350 /nfs/dbraw/zinc/73/23/50/1316732350.db2.gz UJCAUVGEVHIOHU-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846070 1316732410 /nfs/dbraw/zinc/73/24/10/1316732410.db2.gz WLBSFPIHPIZJPK-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847131 1316732816 /nfs/dbraw/zinc/73/28/16/1316732816.db2.gz JHEYONFZVMXIRV-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847131 1316732818 /nfs/dbraw/zinc/73/28/18/1316732818.db2.gz JHEYONFZVMXIRV-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847425 1316733466 /nfs/dbraw/zinc/73/34/66/1316733466.db2.gz QVRDSJVYGWZADP-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847425 1316733470 /nfs/dbraw/zinc/73/34/70/1316733470.db2.gz QVRDSJVYGWZADP-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847423 1316733660 /nfs/dbraw/zinc/73/36/60/1316733660.db2.gz QVRDSJVYGWZADP-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847423 1316733663 /nfs/dbraw/zinc/73/36/63/1316733663.db2.gz QVRDSJVYGWZADP-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851599 1316736972 /nfs/dbraw/zinc/73/69/72/1316736972.db2.gz JSFNLCGLNITZRO-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228512 1316760278 /nfs/dbraw/zinc/76/02/78/1316760278.db2.gz DLXZXADORUNDMS-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228512 1316760281 /nfs/dbraw/zinc/76/02/81/1316760281.db2.gz DLXZXADORUNDMS-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042203705 1316955326 /nfs/dbraw/zinc/95/53/26/1316955326.db2.gz OMXUSUQESIUNNL-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042203705 1316955332 /nfs/dbraw/zinc/95/53/32/1316955332.db2.gz OMXUSUQESIUNNL-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042203707 1316955441 /nfs/dbraw/zinc/95/54/41/1316955441.db2.gz OMXUSUQESIUNNL-SJLPKXTDSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042203707 1316955444 /nfs/dbraw/zinc/95/54/44/1316955444.db2.gz OMXUSUQESIUNNL-SJLPKXTDSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042203706 1316955876 /nfs/dbraw/zinc/95/58/76/1316955876.db2.gz OMXUSUQESIUNNL-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042203706 1316955881 /nfs/dbraw/zinc/95/58/81/1316955881.db2.gz OMXUSUQESIUNNL-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234171 1316997064 /nfs/dbraw/zinc/99/70/64/1316997064.db2.gz KPNBTDWNWSJPDC-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234171 1316997072 /nfs/dbraw/zinc/99/70/72/1316997072.db2.gz KPNBTDWNWSJPDC-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234171 1316997077 /nfs/dbraw/zinc/99/70/77/1316997077.db2.gz KPNBTDWNWSJPDC-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252175 1317033399 /nfs/dbraw/zinc/03/33/99/1317033399.db2.gz IJBSNQQIJKOFSK-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252175 1317033408 /nfs/dbraw/zinc/03/34/08/1317033408.db2.gz IJBSNQQIJKOFSK-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254085 1317037397 /nfs/dbraw/zinc/03/73/97/1317037397.db2.gz ZJWBBILLASKHJU-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254085 1317037405 /nfs/dbraw/zinc/03/74/05/1317037405.db2.gz ZJWBBILLASKHJU-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042259800 1317049244 /nfs/dbraw/zinc/04/92/44/1317049244.db2.gz SBHFWYGIFVYFDK-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)n1 ZINC001279177852 1317203923 /nfs/dbraw/zinc/20/39/23/1317203923.db2.gz RCMMXZHEEKGNGG-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368144 1317223932 /nfs/dbraw/zinc/22/39/32/1317223932.db2.gz ONRRUFFYFTYXON-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001335398431 1331343241 /nfs/dbraw/zinc/34/32/41/1331343241.db2.gz PKLKMIUKAWKESP-QGZVFWFLSA-N 2 1 340.389 2.816 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001338385207 1331701524 /nfs/dbraw/zinc/70/15/24/1331701524.db2.gz XLCJAJBTRPUGTF-IAGOWNOFSA-N 2 1 338.540 2.620 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001340881812 1332216988 /nfs/dbraw/zinc/21/69/88/1332216988.db2.gz TXSIRNWGPMBVGJ-VYDXJSESSA-N 2 1 335.517 2.931 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570365 1332268721 /nfs/dbraw/zinc/26/87/21/1332268721.db2.gz XNGYHBFJNXDEHR-OALUTQOASA-N 2 1 329.488 2.698 20 30 EFEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001757268 1333448410 /nfs/dbraw/zinc/44/84/10/1333448410.db2.gz QSIZUQTUIXSRHV-HXUWFJFHSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001926086 1333752097 /nfs/dbraw/zinc/75/20/97/1333752097.db2.gz UGJFTLAUWJFHSD-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001926094 1333752184 /nfs/dbraw/zinc/75/21/84/1333752184.db2.gz UGJFTLAUWJFHSD-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679611 1334559096 /nfs/dbraw/zinc/55/90/96/1334559096.db2.gz FAGHWEAVHHQLFP-RJYAGPCLSA-N 2 1 339.499 2.650 20 30 EFEDMP C[NH+]=C(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)NC1CC1 ZINC000849022060 1335043326 /nfs/dbraw/zinc/04/33/26/1335043326.db2.gz WAQCTGOPVLGUGW-GOSISDBHSA-N 2 1 330.476 2.550 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001356545543 1335051195 /nfs/dbraw/zinc/05/11/95/1335051195.db2.gz XWTODVREXGWMOD-INIZCTEOSA-N 2 1 328.460 2.741 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000849045473 1335054511 /nfs/dbraw/zinc/05/45/11/1335054511.db2.gz JUKXRTGYBWDNHT-UHFFFAOYSA-N 2 1 341.390 2.778 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001366013859 1337323181 /nfs/dbraw/zinc/32/31/81/1337323181.db2.gz PSNDACXCADMYHT-NVXWUHKLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001366013859 1337323183 /nfs/dbraw/zinc/32/31/83/1337323183.db2.gz PSNDACXCADMYHT-NVXWUHKLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001366074087 1337365540 /nfs/dbraw/zinc/36/55/40/1337365540.db2.gz CCVCWRZVSIDZGR-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366854304 1338121307 /nfs/dbraw/zinc/12/13/07/1338121307.db2.gz SNYUSKRLLNTFMO-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001366854304 1338121316 /nfs/dbraw/zinc/12/13/16/1338121316.db2.gz SNYUSKRLLNTFMO-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001366854304 1338121319 /nfs/dbraw/zinc/12/13/19/1338121319.db2.gz SNYUSKRLLNTFMO-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001366854304 1338121321 /nfs/dbraw/zinc/12/13/21/1338121321.db2.gz SNYUSKRLLNTFMO-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001368560040 1339504101 /nfs/dbraw/zinc/50/41/01/1339504101.db2.gz CTBDYIHSLYCJFY-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001368560040 1339504107 /nfs/dbraw/zinc/50/41/07/1339504107.db2.gz CTBDYIHSLYCJFY-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001368914987 1339858750 /nfs/dbraw/zinc/85/87/50/1339858750.db2.gz RNTIKKYQLBABRJ-HNNXBMFYSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001375292898 1342600545 /nfs/dbraw/zinc/60/05/45/1342600545.db2.gz YWADZBRALDQTGO-HZPDHXFCSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001375580775 1342900412 /nfs/dbraw/zinc/90/04/12/1342900412.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001375580775 1342900416 /nfs/dbraw/zinc/90/04/16/1342900416.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001375580775 1342900421 /nfs/dbraw/zinc/90/04/21/1342900421.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001375941695 1343192087 /nfs/dbraw/zinc/19/20/87/1343192087.db2.gz AHEFMULAUCZZHH-QGZVFWFLSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001375941695 1343192088 /nfs/dbraw/zinc/19/20/88/1343192088.db2.gz AHEFMULAUCZZHH-QGZVFWFLSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001378470004 1345104536 /nfs/dbraw/zinc/10/45/36/1345104536.db2.gz QIJPDOUBWSFQJZ-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001379155359 1345631148 /nfs/dbraw/zinc/63/11/48/1345631148.db2.gz VJTQODZLLDEVNM-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379167887 1345638150 /nfs/dbraw/zinc/63/81/50/1345638150.db2.gz KFPWMFQOEVYMAW-GJZGRUSLSA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001393887081 1357256045 /nfs/dbraw/zinc/25/60/45/1357256045.db2.gz SUQPXGSVQRHSEJ-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001393887081 1357256049 /nfs/dbraw/zinc/25/60/49/1357256049.db2.gz SUQPXGSVQRHSEJ-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001393887081 1357256054 /nfs/dbraw/zinc/25/60/54/1357256054.db2.gz SUQPXGSVQRHSEJ-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001393887081 1357256059 /nfs/dbraw/zinc/25/60/59/1357256059.db2.gz SUQPXGSVQRHSEJ-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001381165289 1348115461 /nfs/dbraw/zinc/11/54/61/1348115461.db2.gz ORZDFERZEAIZCP-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001381165289 1348115463 /nfs/dbraw/zinc/11/54/63/1348115463.db2.gz ORZDFERZEAIZCP-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001391884000 1355620023 /nfs/dbraw/zinc/62/00/23/1355620023.db2.gz CTLOTIZGSBOTAN-GOEBONIOSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676405 1387279717 /nfs/dbraw/zinc/27/97/17/1387279717.db2.gz XFVZUJSAZSEZGJ-HOTGVXAUSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001393188722 1356696902 /nfs/dbraw/zinc/69/69/02/1356696902.db2.gz VNKFKIUAJVKUNL-UHFFFAOYSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001397164540 1359717084 /nfs/dbraw/zinc/71/70/84/1359717084.db2.gz AAAXFXRVRIVBID-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001401294782 1362641723 /nfs/dbraw/zinc/64/17/23/1362641723.db2.gz GKDOUWRTUAGURV-CRAIPNDOSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001401294782 1362641725 /nfs/dbraw/zinc/64/17/25/1362641725.db2.gz GKDOUWRTUAGURV-CRAIPNDOSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001401302040 1362647407 /nfs/dbraw/zinc/64/74/07/1362647407.db2.gz VKLAASNQFMKFKS-ZFWWWQNUSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001402762681 1364009984 /nfs/dbraw/zinc/00/99/84/1364009984.db2.gz BWNTVASHRQAPNY-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762681 1364009987 /nfs/dbraw/zinc/00/99/87/1364009987.db2.gz BWNTVASHRQAPNY-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762681 1364009990 /nfs/dbraw/zinc/00/99/90/1364009990.db2.gz BWNTVASHRQAPNY-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001403282943 1364497594 /nfs/dbraw/zinc/49/75/94/1364497594.db2.gz OLFKRMVKFJTQJC-MSOLQXFVSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001403282943 1364497599 /nfs/dbraw/zinc/49/75/99/1364497599.db2.gz OLFKRMVKFJTQJC-MSOLQXFVSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403317398 1364535065 /nfs/dbraw/zinc/53/50/65/1364535065.db2.gz CYVMUSQPUPFCPJ-KRWDZBQOSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403317398 1364535070 /nfs/dbraw/zinc/53/50/70/1364535070.db2.gz CYVMUSQPUPFCPJ-KRWDZBQOSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001405479681 1366229991 /nfs/dbraw/zinc/22/99/91/1366229991.db2.gz GCMKALQCMGERSE-QGZVFWFLSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1CC ZINC001406809113 1368082886 /nfs/dbraw/zinc/08/28/86/1368082886.db2.gz OAQNDEKGNHPWDV-HOTGVXAUSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001407034604 1368358610 /nfs/dbraw/zinc/35/86/10/1368358610.db2.gz VBZRUNPXPZTBLK-SFHVURJKSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001407034604 1368358613 /nfs/dbraw/zinc/35/86/13/1368358613.db2.gz VBZRUNPXPZTBLK-SFHVURJKSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001407034604 1368358615 /nfs/dbraw/zinc/35/86/15/1368358615.db2.gz VBZRUNPXPZTBLK-SFHVURJKSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001407034604 1368358619 /nfs/dbraw/zinc/35/86/19/1368358619.db2.gz VBZRUNPXPZTBLK-SFHVURJKSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001407290176 1368714027 /nfs/dbraw/zinc/71/40/27/1368714027.db2.gz COTILDZFLODWBG-KRWDZBQOSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001407290176 1368714029 /nfs/dbraw/zinc/71/40/29/1368714029.db2.gz COTILDZFLODWBG-KRWDZBQOSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001407290176 1368714032 /nfs/dbraw/zinc/71/40/32/1368714032.db2.gz COTILDZFLODWBG-KRWDZBQOSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001407290176 1368714033 /nfs/dbraw/zinc/71/40/33/1368714033.db2.gz COTILDZFLODWBG-KRWDZBQOSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001407290176 1368714037 /nfs/dbraw/zinc/71/40/37/1368714037.db2.gz COTILDZFLODWBG-KRWDZBQOSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001408335917 1369840611 /nfs/dbraw/zinc/84/06/11/1369840611.db2.gz KJFDXQJQXMVAIK-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001408335917 1369840620 /nfs/dbraw/zinc/84/06/20/1369840620.db2.gz KJFDXQJQXMVAIK-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001420893102 1377849049 /nfs/dbraw/zinc/84/90/49/1377849049.db2.gz OXDXSMMSLIRSES-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001421580126 1378842550 /nfs/dbraw/zinc/84/25/50/1378842550.db2.gz RTFJMENJEUXMPH-YOEHRIQHSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001438445335 1388607665 /nfs/dbraw/zinc/60/76/65/1388607665.db2.gz WECWYXYVKBWVBZ-IYARVYRRSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001438445335 1388607667 /nfs/dbraw/zinc/60/76/67/1388607667.db2.gz WECWYXYVKBWVBZ-IYARVYRRSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001422996270 1381179865 /nfs/dbraw/zinc/17/98/65/1381179865.db2.gz HHHGAFLOSDMULY-OAHLLOKOSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001441396727 1391281945 /nfs/dbraw/zinc/28/19/45/1391281945.db2.gz QBTXLIHCONPNHQ-UHFFFAOYSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001447769190 1391754599 /nfs/dbraw/zinc/75/45/99/1391754599.db2.gz DJHIIDGBTUXAJR-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769190 1391754601 /nfs/dbraw/zinc/75/46/01/1391754601.db2.gz DJHIIDGBTUXAJR-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769190 1391754604 /nfs/dbraw/zinc/75/46/04/1391754604.db2.gz DJHIIDGBTUXAJR-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001447964524 1391860209 /nfs/dbraw/zinc/86/02/09/1391860209.db2.gz MLCYONVILOIARW-INIZCTEOSA-N 2 1 343.943 2.935 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479967440 1398052447 /nfs/dbraw/zinc/05/24/47/1398052447.db2.gz RULIEZXNWGBWLN-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001493301241 1398598014 /nfs/dbraw/zinc/59/80/14/1398598014.db2.gz ZRCYXAPVHPBAMH-UHFFFAOYSA-N 2 1 334.851 2.837 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001493301241 1398598016 /nfs/dbraw/zinc/59/80/16/1398598016.db2.gz ZRCYXAPVHPBAMH-UHFFFAOYSA-N 2 1 334.851 2.837 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001500428700 1403116132 /nfs/dbraw/zinc/11/61/32/1403116132.db2.gz OPCBLHGSBYKURX-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831909 1404385827 /nfs/dbraw/zinc/38/58/27/1404385827.db2.gz HBZYDUPZJFRUOC-HNNXBMFYSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831909 1404385833 /nfs/dbraw/zinc/38/58/33/1404385833.db2.gz HBZYDUPZJFRUOC-HNNXBMFYSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831909 1404385840 /nfs/dbraw/zinc/38/58/40/1404385840.db2.gz HBZYDUPZJFRUOC-HNNXBMFYSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831909 1404385848 /nfs/dbraw/zinc/38/58/48/1404385848.db2.gz HBZYDUPZJFRUOC-HNNXBMFYSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001503691269 1404500500 /nfs/dbraw/zinc/50/05/00/1404500500.db2.gz LLGXKOOTBNYLMA-OALUTQOASA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505398765 1404552387 /nfs/dbraw/zinc/55/23/87/1404552387.db2.gz VGGBAUCERRDNJE-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566682488 1415728236 /nfs/dbraw/zinc/72/82/36/1415728236.db2.gz BOLDJNYNSGXGPU-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566682488 1415728240 /nfs/dbraw/zinc/72/82/40/1415728240.db2.gz BOLDJNYNSGXGPU-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566682488 1415728247 /nfs/dbraw/zinc/72/82/47/1415728247.db2.gz BOLDJNYNSGXGPU-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566682488 1415728252 /nfs/dbraw/zinc/72/82/52/1415728252.db2.gz BOLDJNYNSGXGPU-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566682487 1415728266 /nfs/dbraw/zinc/72/82/66/1415728266.db2.gz BOLDJNYNSGXGPU-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566682487 1415728271 /nfs/dbraw/zinc/72/82/71/1415728271.db2.gz BOLDJNYNSGXGPU-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566682487 1415728276 /nfs/dbraw/zinc/72/82/76/1415728276.db2.gz BOLDJNYNSGXGPU-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566682487 1415728281 /nfs/dbraw/zinc/72/82/81/1415728281.db2.gz BOLDJNYNSGXGPU-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000170908271 1423142250 /nfs/dbraw/zinc/14/22/50/1423142250.db2.gz FSVPBXCSQMZKRE-UHFFFAOYSA-N 2 1 338.455 2.754 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155504 712942157 /nfs/dbraw/zinc/94/21/57/712942157.db2.gz AGLMWJLIFVBXIT-LJQANCHMSA-N 2 1 341.499 2.746 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155845 712942539 /nfs/dbraw/zinc/94/25/39/712942539.db2.gz DLALQTOBKSSDFY-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535760 717894195 /nfs/dbraw/zinc/89/41/95/717894195.db2.gz WZAJSEWNSQDZLY-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153572 713533711 /nfs/dbraw/zinc/53/37/11/713533711.db2.gz BXDQUBFWEITQQX-RTBURBONSA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159249 713602150 /nfs/dbraw/zinc/60/21/50/713602150.db2.gz IGMNZKNQSNNAOY-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602697 /nfs/dbraw/zinc/60/26/97/713602697.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602698 /nfs/dbraw/zinc/60/26/98/713602698.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602700 /nfs/dbraw/zinc/60/27/00/713602700.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980214279 717926984 /nfs/dbraw/zinc/92/69/84/717926984.db2.gz FASOLDHIAIBBDT-GBESFXJTSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980216377 717929626 /nfs/dbraw/zinc/92/96/26/717929626.db2.gz JOYVPDCYNSGCMB-SLFFLAALSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634578 714212060 /nfs/dbraw/zinc/21/20/60/714212060.db2.gz CJZNTTXHSJIASA-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634999 714212964 /nfs/dbraw/zinc/21/29/64/714212964.db2.gz GZJSMLGRXQCNHT-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039279254 714247704 /nfs/dbraw/zinc/24/77/04/714247704.db2.gz KGIMQIXWAUBIKV-NPYXIHBLSA-N 2 1 339.911 2.725 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671915 714275515 /nfs/dbraw/zinc/27/55/15/714275515.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671915 714275516 /nfs/dbraw/zinc/27/55/16/714275516.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671915 714275517 /nfs/dbraw/zinc/27/55/17/714275517.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682006 714295816 /nfs/dbraw/zinc/29/58/16/714295816.db2.gz LMKGREJNNVEWLO-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682005 714295997 /nfs/dbraw/zinc/29/59/97/714295997.db2.gz LMKGREJNNVEWLO-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683279 714297406 /nfs/dbraw/zinc/29/74/06/714297406.db2.gz XLRCPPUAUUNRSM-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707650 714345115 /nfs/dbraw/zinc/34/51/15/714345115.db2.gz WRYLEQREZXYURC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160671215 714403770 /nfs/dbraw/zinc/40/37/70/714403770.db2.gz ZGSPZCYEHABHNY-LLVKDONJSA-N 2 1 330.354 2.654 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739995 714403878 /nfs/dbraw/zinc/40/38/78/714403878.db2.gz PXULICSVHINRQP-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980251092 717980440 /nfs/dbraw/zinc/98/04/40/717980440.db2.gz FULBZSSOCAXMCA-WDSOQIARSA-N 2 1 341.499 2.765 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681722 714882412 /nfs/dbraw/zinc/88/24/12/714882412.db2.gz GBVJCOCIUOKCFI-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971681722 714882415 /nfs/dbraw/zinc/88/24/15/714882415.db2.gz GBVJCOCIUOKCFI-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971681722 714882418 /nfs/dbraw/zinc/88/24/18/714882418.db2.gz GBVJCOCIUOKCFI-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971681722 714882420 /nfs/dbraw/zinc/88/24/20/714882420.db2.gz GBVJCOCIUOKCFI-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000971704790 714895533 /nfs/dbraw/zinc/89/55/33/714895533.db2.gz XNYMWJPVRGRKOZ-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000971704790 714895537 /nfs/dbraw/zinc/89/55/37/714895537.db2.gz XNYMWJPVRGRKOZ-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC000971704790 714895541 /nfs/dbraw/zinc/89/55/41/714895541.db2.gz XNYMWJPVRGRKOZ-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC000971704790 714895547 /nfs/dbraw/zinc/89/55/47/714895547.db2.gz XNYMWJPVRGRKOZ-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617870 718027425 /nfs/dbraw/zinc/02/74/25/718027425.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617870 718027431 /nfs/dbraw/zinc/02/74/31/718027431.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617870 718027435 /nfs/dbraw/zinc/02/74/35/718027435.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618025 718031080 /nfs/dbraw/zinc/03/10/80/718031080.db2.gz PANGYGKXFAQCNX-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618025 718031084 /nfs/dbraw/zinc/03/10/84/718031084.db2.gz PANGYGKXFAQCNX-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618025 718031087 /nfs/dbraw/zinc/03/10/87/718031087.db2.gz PANGYGKXFAQCNX-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618025 718031091 /nfs/dbraw/zinc/03/10/91/718031091.db2.gz PANGYGKXFAQCNX-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623502 718034701 /nfs/dbraw/zinc/03/47/01/718034701.db2.gz FFTVQSAOJNDVPV-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623502 718034704 /nfs/dbraw/zinc/03/47/04/718034704.db2.gz FFTVQSAOJNDVPV-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005903 715238936 /nfs/dbraw/zinc/23/89/36/715238936.db2.gz ORGKDAWJWFIASZ-QGZVFWFLSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005903 715238937 /nfs/dbraw/zinc/23/89/37/715238937.db2.gz ORGKDAWJWFIASZ-QGZVFWFLSA-N 2 1 349.906 2.690 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000104181496 715254653 /nfs/dbraw/zinc/25/46/53/715254653.db2.gz SYHOCMSYZVUQNR-CQSZACIVSA-N 2 1 334.464 2.551 20 30 EFEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947124 715369103 /nfs/dbraw/zinc/36/91/03/715369103.db2.gz NKFQCLZXTDBVEO-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947124 715369106 /nfs/dbraw/zinc/36/91/06/715369106.db2.gz NKFQCLZXTDBVEO-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947124 715369112 /nfs/dbraw/zinc/36/91/12/715369112.db2.gz NKFQCLZXTDBVEO-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044048 715447547 /nfs/dbraw/zinc/44/75/47/715447547.db2.gz WYBWZBQMJXDZLP-FUHWJXTLSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044048 715447549 /nfs/dbraw/zinc/44/75/49/715447549.db2.gz WYBWZBQMJXDZLP-FUHWJXTLSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029462 715453977 /nfs/dbraw/zinc/45/39/77/715453977.db2.gz BIPPUMBLSMGKGX-DNVCBOLYSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029462 715453980 /nfs/dbraw/zinc/45/39/80/715453980.db2.gz BIPPUMBLSMGKGX-DNVCBOLYSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029462 715453981 /nfs/dbraw/zinc/45/39/81/715453981.db2.gz BIPPUMBLSMGKGX-DNVCBOLYSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027409028 715699665 /nfs/dbraw/zinc/69/96/65/715699665.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409028 715699661 /nfs/dbraw/zinc/69/96/61/715699661.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409028 715699662 /nfs/dbraw/zinc/69/96/62/715699662.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409028 715699663 /nfs/dbraw/zinc/69/96/63/715699663.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027409028 715699664 /nfs/dbraw/zinc/69/96/64/715699664.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000303710332 724416983 /nfs/dbraw/zinc/41/69/83/724416983.db2.gz OJABHMZWAVCDEO-CQSZACIVSA-N 2 1 334.464 2.695 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472310 715931713 /nfs/dbraw/zinc/93/17/13/715931713.db2.gz ORYKCXKHZQLRAR-INIZCTEOSA-N 2 1 346.862 2.932 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472310 715931717 /nfs/dbraw/zinc/93/17/17/715931717.db2.gz ORYKCXKHZQLRAR-INIZCTEOSA-N 2 1 346.862 2.932 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473592 715942176 /nfs/dbraw/zinc/94/21/76/715942176.db2.gz OUSSVQLQQAQZNX-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473592 715942179 /nfs/dbraw/zinc/94/21/79/715942179.db2.gz OUSSVQLQQAQZNX-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473592 715942182 /nfs/dbraw/zinc/94/21/82/715942182.db2.gz OUSSVQLQQAQZNX-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473592 715942183 /nfs/dbraw/zinc/94/21/83/715942183.db2.gz OUSSVQLQQAQZNX-IAGOWNOFSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473591 715942243 /nfs/dbraw/zinc/94/22/43/715942243.db2.gz OUSSVQLQQAQZNX-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473591 715942246 /nfs/dbraw/zinc/94/22/46/715942246.db2.gz OUSSVQLQQAQZNX-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473591 715942250 /nfs/dbraw/zinc/94/22/50/715942250.db2.gz OUSSVQLQQAQZNX-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473591 715942252 /nfs/dbraw/zinc/94/22/52/715942252.db2.gz OUSSVQLQQAQZNX-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972476679 715997768 /nfs/dbraw/zinc/99/77/68/715997768.db2.gz DETYGHDLHAFMNW-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972476679 715997771 /nfs/dbraw/zinc/99/77/71/715997771.db2.gz DETYGHDLHAFMNW-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504783 716085982 /nfs/dbraw/zinc/08/59/82/716085982.db2.gz IFZWLSBDNPSILT-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504783 716085985 /nfs/dbraw/zinc/08/59/85/716085985.db2.gz IFZWLSBDNPSILT-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000157390654 716263105 /nfs/dbraw/zinc/26/31/05/716263105.db2.gz VVHYWKIWQTWXSC-HNNXBMFYSA-N 2 1 348.491 2.798 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625376 716314886 /nfs/dbraw/zinc/31/48/86/716314886.db2.gz BKOUZSYOSUWNAG-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625376 716314891 /nfs/dbraw/zinc/31/48/91/716314891.db2.gz BKOUZSYOSUWNAG-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625376 716314897 /nfs/dbraw/zinc/31/48/97/716314897.db2.gz BKOUZSYOSUWNAG-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552282 716364587 /nfs/dbraw/zinc/36/45/87/716364587.db2.gz TUMLMMIJECNKHY-ZFWWWQNUSA-N 2 1 332.835 2.670 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552282 716364592 /nfs/dbraw/zinc/36/45/92/716364592.db2.gz TUMLMMIJECNKHY-ZFWWWQNUSA-N 2 1 332.835 2.670 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369906 716390984 /nfs/dbraw/zinc/39/09/84/716390984.db2.gz ICTJOIXYDNZUIE-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369906 716390988 /nfs/dbraw/zinc/39/09/88/716390988.db2.gz ICTJOIXYDNZUIE-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369906 716390993 /nfs/dbraw/zinc/39/09/93/716390993.db2.gz ICTJOIXYDNZUIE-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400326 716420681 /nfs/dbraw/zinc/42/06/81/716420681.db2.gz IHOQVSNNLCJFJY-OAHLLOKOSA-N 2 1 335.517 2.828 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622101 716422928 /nfs/dbraw/zinc/42/29/28/716422928.db2.gz NYUJNVOKNCFLLX-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413359 716437688 /nfs/dbraw/zinc/43/76/88/716437688.db2.gz DBJKFIGMXWXWDU-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413359 716437693 /nfs/dbraw/zinc/43/76/93/716437693.db2.gz DBJKFIGMXWXWDU-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413359 716437696 /nfs/dbraw/zinc/43/76/96/716437696.db2.gz DBJKFIGMXWXWDU-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414556 716440384 /nfs/dbraw/zinc/44/03/84/716440384.db2.gz VYCAHROYQSTIOT-SJORKVTESA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414556 716440391 /nfs/dbraw/zinc/44/03/91/716440391.db2.gz VYCAHROYQSTIOT-SJORKVTESA-N 2 1 330.476 2.555 20 30 EFEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977648562 716440634 /nfs/dbraw/zinc/44/06/34/716440634.db2.gz ANKKOPLNCJGABN-SFHVURJKSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455691 716494317 /nfs/dbraw/zinc/49/43/17/716494317.db2.gz OYWPYBKYVOXAOP-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455691 716494320 /nfs/dbraw/zinc/49/43/20/716494320.db2.gz OYWPYBKYVOXAOP-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455691 716494322 /nfs/dbraw/zinc/49/43/22/716494322.db2.gz OYWPYBKYVOXAOP-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455691 716494324 /nfs/dbraw/zinc/49/43/24/716494324.db2.gz OYWPYBKYVOXAOP-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490122 716535306 /nfs/dbraw/zinc/53/53/06/716535306.db2.gz UKSVTDKAWWDZKW-INIZCTEOSA-N 2 1 326.444 2.742 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027694074 716547539 /nfs/dbraw/zinc/54/75/39/716547539.db2.gz QUZDKNLWZSKTTQ-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694074 716547526 /nfs/dbraw/zinc/54/75/26/716547526.db2.gz QUZDKNLWZSKTTQ-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694074 716547530 /nfs/dbraw/zinc/54/75/30/716547530.db2.gz QUZDKNLWZSKTTQ-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694074 716547535 /nfs/dbraw/zinc/54/75/35/716547535.db2.gz QUZDKNLWZSKTTQ-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697271 716570144 /nfs/dbraw/zinc/57/01/44/716570144.db2.gz VBXYXSPUJAGFFL-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697271 716570146 /nfs/dbraw/zinc/57/01/46/716570146.db2.gz VBXYXSPUJAGFFL-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550368 716611046 /nfs/dbraw/zinc/61/10/46/716611046.db2.gz ZSTWFMJZESNJML-OALUTQOASA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550368 716611047 /nfs/dbraw/zinc/61/10/47/716611047.db2.gz ZSTWFMJZESNJML-OALUTQOASA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550368 716611048 /nfs/dbraw/zinc/61/10/48/716611048.db2.gz ZSTWFMJZESNJML-OALUTQOASA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001023588006 716665404 /nfs/dbraw/zinc/66/54/04/716665404.db2.gz PQMMJFOZYAEVAF-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588006 716665406 /nfs/dbraw/zinc/66/54/06/716665406.db2.gz PQMMJFOZYAEVAF-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588006 716665409 /nfs/dbraw/zinc/66/54/09/716665409.db2.gz PQMMJFOZYAEVAF-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001023588003 716665413 /nfs/dbraw/zinc/66/54/13/716665413.db2.gz PQMMJFOZYAEVAF-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588003 716665415 /nfs/dbraw/zinc/66/54/15/716665415.db2.gz PQMMJFOZYAEVAF-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588003 716665417 /nfs/dbraw/zinc/66/54/17/716665417.db2.gz PQMMJFOZYAEVAF-MSOLQXFVSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576951 716701851 /nfs/dbraw/zinc/70/18/51/716701851.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576951 716701853 /nfs/dbraw/zinc/70/18/53/716701853.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576951 716701855 /nfs/dbraw/zinc/70/18/55/716701855.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632863 716746049 /nfs/dbraw/zinc/74/60/49/716746049.db2.gz QOWRTCRROVJNHO-IAGOWNOFSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632863 716746052 /nfs/dbraw/zinc/74/60/52/716746052.db2.gz QOWRTCRROVJNHO-IAGOWNOFSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632863 716746057 /nfs/dbraw/zinc/74/60/57/716746057.db2.gz QOWRTCRROVJNHO-IAGOWNOFSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632863 716746061 /nfs/dbraw/zinc/74/60/61/716746061.db2.gz QOWRTCRROVJNHO-IAGOWNOFSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651677 716770981 /nfs/dbraw/zinc/77/09/81/716770981.db2.gz ZAOSLTGNXQYOMZ-QGZVFWFLSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651677 716770985 /nfs/dbraw/zinc/77/09/85/716770985.db2.gz ZAOSLTGNXQYOMZ-QGZVFWFLSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678434 716806955 /nfs/dbraw/zinc/80/69/55/716806955.db2.gz VZMMCKPILGFLOL-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678434 716806959 /nfs/dbraw/zinc/80/69/59/716806959.db2.gz VZMMCKPILGFLOL-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695002 716833716 /nfs/dbraw/zinc/83/37/16/716833716.db2.gz RVDHRKUGUWUVAJ-GOSISDBHSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695178 716834278 /nfs/dbraw/zinc/83/42/78/716834278.db2.gz XTFLPJQSAIKICJ-GOSISDBHSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601702 716916265 /nfs/dbraw/zinc/91/62/65/716916265.db2.gz GVBPUNJZOMIJMZ-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601702 716916266 /nfs/dbraw/zinc/91/62/66/716916266.db2.gz GVBPUNJZOMIJMZ-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601702 716916267 /nfs/dbraw/zinc/91/62/67/716916267.db2.gz GVBPUNJZOMIJMZ-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601702 716916268 /nfs/dbraw/zinc/91/62/68/716916268.db2.gz GVBPUNJZOMIJMZ-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763199 716975183 /nfs/dbraw/zinc/97/51/83/716975183.db2.gz DVNKTSKZNNRWJK-KRWDZBQOSA-N 2 1 329.488 2.766 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440078 717737796 /nfs/dbraw/zinc/73/77/96/717737796.db2.gz KGGCKAMLXQADEK-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440078 717737797 /nfs/dbraw/zinc/73/77/97/717737797.db2.gz KGGCKAMLXQADEK-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440078 717737799 /nfs/dbraw/zinc/73/77/99/717737799.db2.gz KGGCKAMLXQADEK-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478104 717790567 /nfs/dbraw/zinc/79/05/67/717790567.db2.gz QUTUELUSOSLGCS-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478104 717790568 /nfs/dbraw/zinc/79/05/68/717790568.db2.gz QUTUELUSOSLGCS-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478104 717790572 /nfs/dbraw/zinc/79/05/72/717790572.db2.gz QUTUELUSOSLGCS-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479310 717793377 /nfs/dbraw/zinc/79/33/77/717793377.db2.gz FDRCTOHQQHJMSE-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479310 717793379 /nfs/dbraw/zinc/79/33/79/717793379.db2.gz FDRCTOHQQHJMSE-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479310 717793381 /nfs/dbraw/zinc/79/33/81/717793381.db2.gz FDRCTOHQQHJMSE-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885573 717832151 /nfs/dbraw/zinc/83/21/51/717832151.db2.gz HEXZKUKIACAJKN-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885573 717832156 /nfs/dbraw/zinc/83/21/56/717832156.db2.gz HEXZKUKIACAJKN-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885573 717832160 /nfs/dbraw/zinc/83/21/60/717832160.db2.gz HEXZKUKIACAJKN-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181550 717849242 /nfs/dbraw/zinc/84/92/42/717849242.db2.gz DUAKXPLZNPDPIE-XUVXKRRUSA-N 2 1 341.499 2.765 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980182216 717850944 /nfs/dbraw/zinc/85/09/44/717850944.db2.gz CDXVWBQFUNCMJO-GBESFXJTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521417 717867760 /nfs/dbraw/zinc/86/77/60/717867760.db2.gz SGFJDPKAVYTIOL-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187568 717876199 /nfs/dbraw/zinc/87/61/99/717876199.db2.gz OZFQYDILOMGCOQ-OTWHNJEPSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980190744 717881811 /nfs/dbraw/zinc/88/18/11/717881811.db2.gz YUTIIFOOBAORMS-UFYCRDLUSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750024 718135860 /nfs/dbraw/zinc/13/58/60/718135860.db2.gz JYZZTHQDGFUHTH-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947308869 718226437 /nfs/dbraw/zinc/22/64/37/718226437.db2.gz ASUKARJWEUSQKL-CVEARBPZSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947308869 718226438 /nfs/dbraw/zinc/22/64/38/718226438.db2.gz ASUKARJWEUSQKL-CVEARBPZSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985497254 724495505 /nfs/dbraw/zinc/49/55/05/724495505.db2.gz UPJKNUVTPOHVBH-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985497254 724495507 /nfs/dbraw/zinc/49/55/07/724495507.db2.gz UPJKNUVTPOHVBH-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985497254 724495509 /nfs/dbraw/zinc/49/55/09/724495509.db2.gz UPJKNUVTPOHVBH-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231931 718446854 /nfs/dbraw/zinc/44/68/54/718446854.db2.gz JCMBICRTZIACKO-MOPGFXCFSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231937 718446925 /nfs/dbraw/zinc/44/69/25/718446925.db2.gz JCMBICRTZIACKO-RBUKOAKNSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251862 718472752 /nfs/dbraw/zinc/47/27/52/718472752.db2.gz LKMWYBAXBQQECC-RTBURBONSA-N 2 1 338.455 2.979 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275647 718514210 /nfs/dbraw/zinc/51/42/10/718514210.db2.gz YADJFZQNXYSPIP-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275657 718514429 /nfs/dbraw/zinc/51/44/29/718514429.db2.gz YDEBDUPAKXHRIX-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281448 718519728 /nfs/dbraw/zinc/51/97/28/718519728.db2.gz VGYGAXTZYOAKHM-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287318 718523623 /nfs/dbraw/zinc/52/36/23/718523623.db2.gz DHCLSKLTPMTCFE-RBUKOAKNSA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287318 718523625 /nfs/dbraw/zinc/52/36/25/718523625.db2.gz DHCLSKLTPMTCFE-RBUKOAKNSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288914 718526296 /nfs/dbraw/zinc/52/62/96/718526296.db2.gz MQGPCKMQWUQHMN-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293355 718534529 /nfs/dbraw/zinc/53/45/29/718534529.db2.gz CFXIHRFQLPAYOC-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293355 718534532 /nfs/dbraw/zinc/53/45/32/718534532.db2.gz CFXIHRFQLPAYOC-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293356 718534697 /nfs/dbraw/zinc/53/46/97/718534697.db2.gz CFXIHRFQLPAYOC-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293356 718534700 /nfs/dbraw/zinc/53/47/00/718534700.db2.gz CFXIHRFQLPAYOC-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301854 718540306 /nfs/dbraw/zinc/54/03/06/718540306.db2.gz QGIUDYVGJCLVDE-VQTJNVASSA-N 2 1 345.531 2.731 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985510692 724525954 /nfs/dbraw/zinc/52/59/54/724525954.db2.gz OCIKUBZIKBXWKD-UHFFFAOYSA-N 2 1 346.862 2.932 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092643 718708200 /nfs/dbraw/zinc/70/82/00/718708200.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092643 718708203 /nfs/dbraw/zinc/70/82/03/718708203.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092643 718708206 /nfs/dbraw/zinc/70/82/06/718708206.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433291 718836804 /nfs/dbraw/zinc/83/68/04/718836804.db2.gz MFPFXTGAUMGVEU-JKSUJKDBSA-N 2 1 347.528 2.663 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454290 718897765 /nfs/dbraw/zinc/89/77/65/718897765.db2.gz WZNNVPQUGOHUQP-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461120 718921559 /nfs/dbraw/zinc/92/15/59/718921559.db2.gz PGEUZPMJFDRNQO-HZPDHXFCSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461120 718921562 /nfs/dbraw/zinc/92/15/62/718921562.db2.gz PGEUZPMJFDRNQO-HZPDHXFCSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470665 718957655 /nfs/dbraw/zinc/95/76/55/718957655.db2.gz ZZLMOQHVAADSPI-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000170908662 718982170 /nfs/dbraw/zinc/98/21/70/718982170.db2.gz KLWHBBLIJYWWAD-UHFFFAOYSA-N 2 1 340.471 2.622 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486748 719002259 /nfs/dbraw/zinc/00/22/59/719002259.db2.gz WJTXJRAMTCRVMH-JKSUJKDBSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515706 719051935 /nfs/dbraw/zinc/05/19/35/719051935.db2.gz MNQXGPUFLIOSJQ-CVEARBPZSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799160 719052704 /nfs/dbraw/zinc/05/27/04/719052704.db2.gz UQXHCQBUXRLBOS-UHFFFAOYSA-N 2 1 347.528 2.924 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981810314 719070841 /nfs/dbraw/zinc/07/08/41/719070841.db2.gz YJQWGARKOSKFGZ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981810314 719070846 /nfs/dbraw/zinc/07/08/46/719070846.db2.gz YJQWGARKOSKFGZ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981810314 719070854 /nfs/dbraw/zinc/07/08/54/719070854.db2.gz YJQWGARKOSKFGZ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981811917 719072058 /nfs/dbraw/zinc/07/20/58/719072058.db2.gz BNEYWZCGNJXYIL-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981811917 719072062 /nfs/dbraw/zinc/07/20/62/719072062.db2.gz BNEYWZCGNJXYIL-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981811917 719072065 /nfs/dbraw/zinc/07/20/65/719072065.db2.gz BNEYWZCGNJXYIL-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981839449 719109683 /nfs/dbraw/zinc/10/96/83/719109683.db2.gz XHUHYFWUHOGPMM-UHFFFAOYSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842810 719120974 /nfs/dbraw/zinc/12/09/74/719120974.db2.gz MLDVHBSFWVCWTA-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842810 719120977 /nfs/dbraw/zinc/12/09/77/719120977.db2.gz MLDVHBSFWVCWTA-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842810 719120978 /nfs/dbraw/zinc/12/09/78/719120978.db2.gz MLDVHBSFWVCWTA-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560044 719130890 /nfs/dbraw/zinc/13/08/90/719130890.db2.gz ZKBSQEKQVJLNBQ-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591292 719183891 /nfs/dbraw/zinc/18/38/91/719183891.db2.gz ZQKJHMLUBXJLHV-APWZRJJASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628683 719251581 /nfs/dbraw/zinc/25/15/81/719251581.db2.gz TYYJOLZRVQMLLJ-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628860 719251958 /nfs/dbraw/zinc/25/19/58/719251958.db2.gz XIGXUJGXPRSLLG-PXNSSMCTSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238284 719297962 /nfs/dbraw/zinc/29/79/62/719297962.db2.gz GQMNJJAKUBYNOM-DLBZAZTESA-N 2 1 337.508 2.709 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238284 719297963 /nfs/dbraw/zinc/29/79/63/719297963.db2.gz GQMNJJAKUBYNOM-DLBZAZTESA-N 2 1 337.508 2.709 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982042353 719497669 /nfs/dbraw/zinc/49/76/69/719497669.db2.gz LFRRKIQKOYCUHJ-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982042353 719497670 /nfs/dbraw/zinc/49/76/70/719497670.db2.gz LFRRKIQKOYCUHJ-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051622 719506401 /nfs/dbraw/zinc/50/64/01/719506401.db2.gz STJUZIMWZODJIP-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051622 719506404 /nfs/dbraw/zinc/50/64/04/719506404.db2.gz STJUZIMWZODJIP-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982072047 719535259 /nfs/dbraw/zinc/53/52/59/719535259.db2.gz USXGIAPVWPEHHO-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115795 719573082 /nfs/dbraw/zinc/57/30/82/719573082.db2.gz BMFRWFROVBQINI-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163639 719608318 /nfs/dbraw/zinc/60/83/18/719608318.db2.gz LPDBBHZYEUXQOS-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163575 719608399 /nfs/dbraw/zinc/60/83/99/719608399.db2.gz HQTPWHWMJNSBFK-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000982169292 719625146 /nfs/dbraw/zinc/62/51/46/719625146.db2.gz XOVAKWOJXFUKLY-UHFFFAOYSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719773995 /nfs/dbraw/zinc/77/39/95/719773995.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719773998 /nfs/dbraw/zinc/77/39/98/719773998.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719774003 /nfs/dbraw/zinc/77/40/03/719774003.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000178573943 719786282 /nfs/dbraw/zinc/78/62/82/719786282.db2.gz LLAFFOVQGIUAQX-INIZCTEOSA-N 2 1 340.471 2.620 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178573943 719786283 /nfs/dbraw/zinc/78/62/83/719786283.db2.gz LLAFFOVQGIUAQX-INIZCTEOSA-N 2 1 340.471 2.620 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281373 719796120 /nfs/dbraw/zinc/79/61/20/719796120.db2.gz UXDQLDJAUJYDDH-OYRHEFFESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283366 719797668 /nfs/dbraw/zinc/79/76/68/719797668.db2.gz QLHWGWKYPRNWBB-FFZOFVMBSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283366 719797672 /nfs/dbraw/zinc/79/76/72/719797672.db2.gz QLHWGWKYPRNWBB-FFZOFVMBSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982304676 719866134 /nfs/dbraw/zinc/86/61/34/719866134.db2.gz JCMCZTMVVYISGO-BGYRXZFFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982492701 720580179 /nfs/dbraw/zinc/58/01/79/720580179.db2.gz VDVNWTNMWHQTCM-BGYRXZFFSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982492701 720580183 /nfs/dbraw/zinc/58/01/83/720580183.db2.gz VDVNWTNMWHQTCM-BGYRXZFFSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503324 720678900 /nfs/dbraw/zinc/67/89/00/720678900.db2.gz SFRLHNKXSKOOHD-GPANFISMSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820246 /nfs/dbraw/zinc/82/02/46/720820246.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820254 /nfs/dbraw/zinc/82/02/54/720820254.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820262 /nfs/dbraw/zinc/82/02/62/720820262.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725913 721131828 /nfs/dbraw/zinc/13/18/28/721131828.db2.gz QNWBRUDOOHOOTN-JYAXBFRTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600071 721198978 /nfs/dbraw/zinc/19/89/78/721198978.db2.gz GECKAVXCYGYKDA-WMZOPIPTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600071 721198979 /nfs/dbraw/zinc/19/89/79/721198979.db2.gz GECKAVXCYGYKDA-WMZOPIPTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600071 721198982 /nfs/dbraw/zinc/19/89/82/721198982.db2.gz GECKAVXCYGYKDA-WMZOPIPTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675311 721265525 /nfs/dbraw/zinc/26/55/25/721265525.db2.gz CGLPSHMOQHYVSC-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675311 721265527 /nfs/dbraw/zinc/26/55/27/721265527.db2.gz CGLPSHMOQHYVSC-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675311 721265532 /nfs/dbraw/zinc/26/55/32/721265532.db2.gz CGLPSHMOQHYVSC-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675318 721265868 /nfs/dbraw/zinc/26/58/68/721265868.db2.gz CGLPSHMOQHYVSC-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675318 721265871 /nfs/dbraw/zinc/26/58/71/721265871.db2.gz CGLPSHMOQHYVSC-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675318 721265876 /nfs/dbraw/zinc/26/58/76/721265876.db2.gz CGLPSHMOQHYVSC-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833050 721307104 /nfs/dbraw/zinc/30/71/04/721307104.db2.gz BWQMCGHJYDLDSY-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833050 721307105 /nfs/dbraw/zinc/30/71/05/721307105.db2.gz BWQMCGHJYDLDSY-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833050 721307108 /nfs/dbraw/zinc/30/71/08/721307108.db2.gz BWQMCGHJYDLDSY-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982834352 721308621 /nfs/dbraw/zinc/30/86/21/721308621.db2.gz XMDHBZPLIFJFKX-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982834352 721308623 /nfs/dbraw/zinc/30/86/23/721308623.db2.gz XMDHBZPLIFJFKX-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982834352 721308628 /nfs/dbraw/zinc/30/86/28/721308628.db2.gz XMDHBZPLIFJFKX-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028801670 722005140 /nfs/dbraw/zinc/00/51/40/722005140.db2.gz BFTKWCKMSIFLNG-LJQANCHMSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903650 722085241 /nfs/dbraw/zinc/08/52/41/722085241.db2.gz YVMXTWHAAWNUPC-KRWDZBQOSA-N 2 1 338.455 2.890 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802328 723411445 /nfs/dbraw/zinc/41/14/45/723411445.db2.gz XYJYUHMGGUUMNT-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000985800542 724894845 /nfs/dbraw/zinc/89/48/45/724894845.db2.gz HYOICZCREATTRC-LJQANCHMSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800542 724894847 /nfs/dbraw/zinc/89/48/47/724894847.db2.gz HYOICZCREATTRC-LJQANCHMSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800542 724894850 /nfs/dbraw/zinc/89/48/50/724894850.db2.gz HYOICZCREATTRC-LJQANCHMSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985805869 724899652 /nfs/dbraw/zinc/89/96/52/724899652.db2.gz ZBZQGRZHMWAZAG-GJZGRUSLSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067690 728938942 /nfs/dbraw/zinc/93/89/42/728938942.db2.gz YWHMETGZULPFLV-SJLPKXTDSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009499 725460062 /nfs/dbraw/zinc/46/00/62/725460062.db2.gz HPOYLDDJLOIEPD-SVFBPWRDSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142226 725558302 /nfs/dbraw/zinc/55/83/02/725558302.db2.gz YSBKUXIRMAJHGO-CUSZFKRNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142226 725558305 /nfs/dbraw/zinc/55/83/05/725558305.db2.gz YSBKUXIRMAJHGO-CUSZFKRNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142226 725558307 /nfs/dbraw/zinc/55/83/07/725558307.db2.gz YSBKUXIRMAJHGO-CUSZFKRNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142226 725558311 /nfs/dbraw/zinc/55/83/11/725558311.db2.gz YSBKUXIRMAJHGO-CUSZFKRNSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@@H]12 ZINC000992239038 725638630 /nfs/dbraw/zinc/63/86/30/725638630.db2.gz HSNZUZLBLRRQLQ-CIWUYKSXSA-N 2 1 342.487 2.603 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266722 725658307 /nfs/dbraw/zinc/65/83/07/725658307.db2.gz ZMYPDMNRWQBVJJ-APWZRJJASA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266722 725658310 /nfs/dbraw/zinc/65/83/10/725658310.db2.gz ZMYPDMNRWQBVJJ-APWZRJJASA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276886 725666313 /nfs/dbraw/zinc/66/63/13/725666313.db2.gz BQULCIAQJKUUJS-SJLPKXTDSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276886 725666316 /nfs/dbraw/zinc/66/63/16/725666316.db2.gz BQULCIAQJKUUJS-SJLPKXTDSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276802 725666371 /nfs/dbraw/zinc/66/63/71/725666371.db2.gz BGKAWJXVNXZPQN-AZUAARDMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723454 725694852 /nfs/dbraw/zinc/69/48/52/725694852.db2.gz JRNSKUYDVLMGOX-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057819 726207802 /nfs/dbraw/zinc/20/78/02/726207802.db2.gz ZGJUYXBXWHTDCH-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992815744 726252919 /nfs/dbraw/zinc/25/29/19/726252919.db2.gz KRNLMYZCFHKDGM-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992825136 726272232 /nfs/dbraw/zinc/27/22/32/726272232.db2.gz RPGVHORMTLSAIQ-FGTMMUONSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498054 727283773 /nfs/dbraw/zinc/28/37/73/727283773.db2.gz DKUIFVYETCYPLZ-QAPCUYQASA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480561 727288721 /nfs/dbraw/zinc/28/87/21/727288721.db2.gz PNMYJCWKHZEQTB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)CN1CCC[C@H](NC(=O)c2ccc3cncn3c2C)[C@H]1C ZINC000993535378 727300195 /nfs/dbraw/zinc/30/01/95/727300195.db2.gz UERWHODLCKKVDK-PBHICJAKSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007543 727579101 /nfs/dbraw/zinc/57/91/01/727579101.db2.gz PMIJKUVITKADQR-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994269470 727706748 /nfs/dbraw/zinc/70/67/48/727706748.db2.gz PRVSKOXAILMKFL-WBVHZDCISA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994269470 727706749 /nfs/dbraw/zinc/70/67/49/727706749.db2.gz PRVSKOXAILMKFL-WBVHZDCISA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994463811 727760715 /nfs/dbraw/zinc/76/07/15/727760715.db2.gz MKXFQWXCLGOGJL-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994471547 727762353 /nfs/dbraw/zinc/76/23/53/727762353.db2.gz LGFOVAHEIDDLTM-NVXWUHKLSA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991468464 727877998 /nfs/dbraw/zinc/87/79/98/727877998.db2.gz CDIUPGBPIMTEJP-AZUAARDMSA-N 2 1 338.455 2.946 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157396713 728142919 /nfs/dbraw/zinc/14/29/19/728142919.db2.gz OVWOTXYZJOWXAC-OAHLLOKOSA-N 2 1 348.491 2.798 20 30 EFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000058171453 728147956 /nfs/dbraw/zinc/14/79/56/728147956.db2.gz MENIUUDJORKZGL-CRAIPNDOSA-N 2 1 332.492 2.925 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771290 728310982 /nfs/dbraw/zinc/31/09/82/728310982.db2.gz JGXJDAPFQBOHOS-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771290 728310986 /nfs/dbraw/zinc/31/09/86/728310986.db2.gz JGXJDAPFQBOHOS-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417003 728349428 /nfs/dbraw/zinc/34/94/28/728349428.db2.gz UUOUBRZLLXDHSL-QGZVFWFLSA-N 2 1 347.528 2.760 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H](C)C1 ZINC000942179520 728351689 /nfs/dbraw/zinc/35/16/89/728351689.db2.gz BHFTUECDFHVXLX-WBVHZDCISA-N 2 1 332.492 2.719 20 30 EFEDMP CN(C)C(=[NH+]C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)N(C)C ZINC000183891145 728383415 /nfs/dbraw/zinc/38/34/15/728383415.db2.gz TWOFVPYILROTOX-CQSZACIVSA-N 2 1 330.398 2.787 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849410 729093607 /nfs/dbraw/zinc/09/36/07/729093607.db2.gz QYRJBLPQKYQEJE-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001574852642 1088121120 /nfs/dbraw/zinc/12/11/20/1088121120.db2.gz XHGURLUKVUIUMU-ROUUACIJSA-N 2 1 349.906 2.825 20 30 EFEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001574867204 1088131231 /nfs/dbraw/zinc/13/12/31/1088131231.db2.gz OKWGLIZVIDBFEA-KRWDZBQOSA-N 2 1 346.523 2.589 20 30 EFEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892413 1088141101 /nfs/dbraw/zinc/14/11/01/1088141101.db2.gz CSITVFMKWQUNLP-SLYNCCJLSA-N 2 1 341.499 2.569 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001574933307 1088161527 /nfs/dbraw/zinc/16/15/27/1088161527.db2.gz PAUNKLDBXPPOID-HNNXBMFYSA-N 2 1 335.517 2.583 20 30 EFEDMP N#CC1(c2ccc(C[N@H+]3CCOC4(CCC([NH3+])CC4)C3)cc2)CC1 ZINC001580040628 1090752611 /nfs/dbraw/zinc/75/26/11/1090752611.db2.gz MARYJARTKBXVKH-UHFFFAOYSA-N 2 1 325.456 2.714 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449680 1092862642 /nfs/dbraw/zinc/86/26/42/1092862642.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449680 1092862649 /nfs/dbraw/zinc/86/26/49/1092862649.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449680 1092862654 /nfs/dbraw/zinc/86/26/54/1092862654.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461459 1093319351 /nfs/dbraw/zinc/31/93/51/1093319351.db2.gz HVELORPUXYXSHE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461459 1093319360 /nfs/dbraw/zinc/31/93/60/1093319360.db2.gz HVELORPUXYXSHE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461459 1093319370 /nfs/dbraw/zinc/31/93/70/1093319370.db2.gz HVELORPUXYXSHE-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461473 1093321129 /nfs/dbraw/zinc/32/11/29/1093321129.db2.gz IEOLDDVWISZFLS-GOSISDBHSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461473 1093321137 /nfs/dbraw/zinc/32/11/37/1093321137.db2.gz IEOLDDVWISZFLS-GOSISDBHSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461640 1093325332 /nfs/dbraw/zinc/32/53/32/1093325332.db2.gz NJDXSVVNHBADHH-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625364 1094450988 /nfs/dbraw/zinc/45/09/88/1094450988.db2.gz BRSAIJUKKJZILQ-RBUKOAKNSA-N 2 1 343.515 2.877 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530425 1094873904 /nfs/dbraw/zinc/87/39/04/1094873904.db2.gz UIRURYOJTBRJMI-PXNSSMCTSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001087295892 1095045520 /nfs/dbraw/zinc/04/55/20/1095045520.db2.gz PYMQDWHEGWTBJW-FGTMMUONSA-N 2 1 338.455 2.739 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087307339 1095203073 /nfs/dbraw/zinc/20/30/73/1095203073.db2.gz YDPDOMGZMXGASY-YZGWKJHDSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825673 1095213377 /nfs/dbraw/zinc/21/33/77/1095213377.db2.gz SKUOXMRIHOTPNH-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167826079 1095215358 /nfs/dbraw/zinc/21/53/58/1095215358.db2.gz VWZZFOLSNAQMBL-QGZVFWFLSA-N 2 1 348.535 2.991 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309100 1095233022 /nfs/dbraw/zinc/23/30/22/1095233022.db2.gz ANFQOAOXHCIGKX-YZGWKJHDSA-N 2 1 347.547 2.900 20 30 EFEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001167838181 1095342214 /nfs/dbraw/zinc/34/22/14/1095342214.db2.gz RIALNXWYXQUYRZ-GOSISDBHSA-N 2 1 343.519 2.976 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930100 1095626238 /nfs/dbraw/zinc/62/62/38/1095626238.db2.gz IEDNVBSLADWTIP-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959070 1095790133 /nfs/dbraw/zinc/79/01/33/1095790133.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959070 1095790139 /nfs/dbraw/zinc/79/01/39/1095790139.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959070 1095790149 /nfs/dbraw/zinc/79/01/49/1095790149.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958050 1095796571 /nfs/dbraw/zinc/79/65/71/1095796571.db2.gz DALQRFNZAMCAHT-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958050 1095796583 /nfs/dbraw/zinc/79/65/83/1095796583.db2.gz DALQRFNZAMCAHT-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958050 1095796594 /nfs/dbraw/zinc/79/65/94/1095796594.db2.gz DALQRFNZAMCAHT-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573148 1096116862 /nfs/dbraw/zinc/11/68/62/1096116862.db2.gz JKACCJAWXNGIOC-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104572994 1096118425 /nfs/dbraw/zinc/11/84/25/1096118425.db2.gz CIWABXGNHKNJAA-QRVBRYPASA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001269552322 1098238524 /nfs/dbraw/zinc/23/85/24/1098238524.db2.gz BWTBSVQJAMXFKB-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001269552321 1098238550 /nfs/dbraw/zinc/23/85/50/1098238550.db2.gz BWTBSVQJAMXFKB-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104803827 1098619650 /nfs/dbraw/zinc/61/96/50/1098619650.db2.gz ZBSPKVOHJLMXEB-RTBURBONSA-N 2 1 335.536 2.596 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896303 1098930454 /nfs/dbraw/zinc/93/04/54/1098930454.db2.gz SOXPGJYCRSHFON-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896304 1098930696 /nfs/dbraw/zinc/93/06/96/1098930696.db2.gz SOXPGJYCRSHFON-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168007973 1100186376 /nfs/dbraw/zinc/18/63/76/1100186376.db2.gz VXPXKPGKEWBFHQ-HTUJPFKRSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168007973 1100186381 /nfs/dbraw/zinc/18/63/81/1100186381.db2.gz VXPXKPGKEWBFHQ-HTUJPFKRSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168007973 1100186384 /nfs/dbraw/zinc/18/63/84/1100186384.db2.gz VXPXKPGKEWBFHQ-HTUJPFKRSA-N 2 1 347.503 2.768 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168007973 1100186387 /nfs/dbraw/zinc/18/63/87/1100186387.db2.gz VXPXKPGKEWBFHQ-HTUJPFKRSA-N 2 1 347.503 2.768 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394127 1100386559 /nfs/dbraw/zinc/38/65/59/1100386559.db2.gz OZSADYMVWWCJKC-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394209 1100398185 /nfs/dbraw/zinc/39/81/85/1100398185.db2.gz QOYJLCBBZLYYGB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811923 1100508042 /nfs/dbraw/zinc/50/80/42/1100508042.db2.gz LVZSQYRNKIKOFQ-OKZBNKHCSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811923 1100508048 /nfs/dbraw/zinc/50/80/48/1100508048.db2.gz LVZSQYRNKIKOFQ-OKZBNKHCSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811907 1100508402 /nfs/dbraw/zinc/50/84/02/1100508402.db2.gz LFSSTPBEGOXJDH-IXDOHACOSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811907 1100508409 /nfs/dbraw/zinc/50/84/09/1100508409.db2.gz LFSSTPBEGOXJDH-IXDOHACOSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105395591 1100554961 /nfs/dbraw/zinc/55/49/61/1100554961.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105395591 1100554966 /nfs/dbraw/zinc/55/49/66/1100554966.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105395591 1100554969 /nfs/dbraw/zinc/55/49/69/1100554969.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395688 1100558028 /nfs/dbraw/zinc/55/80/28/1100558028.db2.gz CZHVSLIDWLGMGX-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602591 1100580736 /nfs/dbraw/zinc/58/07/36/1100580736.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602591 1100580743 /nfs/dbraw/zinc/58/07/43/1100580743.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602591 1100580748 /nfs/dbraw/zinc/58/07/48/1100580748.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602591 1100580755 /nfs/dbraw/zinc/58/07/55/1100580755.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 1 341.927 2.971 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602591 1100580757 /nfs/dbraw/zinc/58/07/57/1100580757.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 1 341.927 2.971 20 30 EFEDMP C=CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396209 1100582611 /nfs/dbraw/zinc/58/26/11/1100582611.db2.gz JMLPBOKEXQBOJB-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396654 1100587265 /nfs/dbraw/zinc/58/72/65/1100587265.db2.gz RPIQXRRKLUFQNE-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396829 1100611179 /nfs/dbraw/zinc/61/11/79/1100611179.db2.gz WZNCHOATILLZMB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396829 1100611184 /nfs/dbraw/zinc/61/11/84/1100611184.db2.gz WZNCHOATILLZMB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396829 1100611186 /nfs/dbraw/zinc/61/11/86/1100611186.db2.gz WZNCHOATILLZMB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696865 1100676076 /nfs/dbraw/zinc/67/60/76/1100676076.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696865 1100676078 /nfs/dbraw/zinc/67/60/78/1100676078.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696865 1100676080 /nfs/dbraw/zinc/67/60/80/1100676080.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696865 1100676082 /nfs/dbraw/zinc/67/60/82/1100676082.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696865 1100676084 /nfs/dbraw/zinc/67/60/84/1100676084.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701331 /nfs/dbraw/zinc/70/13/31/1100701331.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701334 /nfs/dbraw/zinc/70/13/34/1100701334.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701337 /nfs/dbraw/zinc/70/13/37/1100701337.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994057 1101164433 /nfs/dbraw/zinc/16/44/33/1101164433.db2.gz PJQXYYUDVFSDGA-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994057 1101164437 /nfs/dbraw/zinc/16/44/37/1101164437.db2.gz PJQXYYUDVFSDGA-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994057 1101164441 /nfs/dbraw/zinc/16/44/41/1101164441.db2.gz PJQXYYUDVFSDGA-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993836 1101168299 /nfs/dbraw/zinc/16/82/99/1101168299.db2.gz GAYWTINEFRXWIQ-SQNIBIBYSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993836 1101168306 /nfs/dbraw/zinc/16/83/06/1101168306.db2.gz GAYWTINEFRXWIQ-SQNIBIBYSA-N 2 1 342.487 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104306282 1101517990 /nfs/dbraw/zinc/51/79/90/1101517990.db2.gz VIAPNGJGEFHAFS-AQNXPRMDSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104306282 1101518003 /nfs/dbraw/zinc/51/80/03/1101518003.db2.gz VIAPNGJGEFHAFS-AQNXPRMDSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681390 1101560949 /nfs/dbraw/zinc/56/09/49/1101560949.db2.gz GVOVWDYACRNVDM-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311159 1101572708 /nfs/dbraw/zinc/57/27/08/1101572708.db2.gz VCLINRMYZITWQZ-DJIMGWMZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167095649 1101620569 /nfs/dbraw/zinc/62/05/69/1101620569.db2.gz FUYSYXRRTVJGBL-RLLQIKCJSA-N 2 1 343.515 2.782 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622741 /nfs/dbraw/zinc/62/27/41/1101622741.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622748 /nfs/dbraw/zinc/62/27/48/1101622748.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622754 /nfs/dbraw/zinc/62/27/54/1101622754.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210254 1101879326 /nfs/dbraw/zinc/87/93/26/1101879326.db2.gz DKGJYSVALKDIMB-UXHICEINSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459262 1102005556 /nfs/dbraw/zinc/00/55/56/1102005556.db2.gz ZJUCOZJYORHANL-UHFFFAOYSA-N 2 1 338.883 2.600 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001482497311 1102351282 /nfs/dbraw/zinc/35/12/82/1102351282.db2.gz DHLCFBBHLFNREW-GDBMZVCRSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264839 1102395148 /nfs/dbraw/zinc/39/51/48/1102395148.db2.gz HOYAZUXTWMQTSC-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C(=O)OCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168072007 1102396961 /nfs/dbraw/zinc/39/69/61/1102396961.db2.gz NIDLRXLKBRRLSH-MRXNPFEDSA-N 2 1 342.443 2.882 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088369953 1103202501 /nfs/dbraw/zinc/20/25/01/1103202501.db2.gz WXKHGVFOOQVDBE-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001088381262 1103336968 /nfs/dbraw/zinc/33/69/68/1103336968.db2.gz AOJIWBINZJAHSW-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065729 1103420505 /nfs/dbraw/zinc/42/05/05/1103420505.db2.gz GINWFEMLNBCPBL-FUHIMQAGSA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065729 1103420509 /nfs/dbraw/zinc/42/05/09/1103420509.db2.gz GINWFEMLNBCPBL-FUHIMQAGSA-N 2 1 342.487 2.840 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088411443 1103484282 /nfs/dbraw/zinc/48/42/82/1103484282.db2.gz HDSRYQYEQQBTCH-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430941 1103587397 /nfs/dbraw/zinc/58/73/97/1103587397.db2.gz BUPGZWRVYZSINV-RBUKOAKNSA-N 2 1 329.488 2.836 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168384562 1104166915 /nfs/dbraw/zinc/16/69/15/1104166915.db2.gz KWIMHKMPBWYDMV-UHFFFAOYSA-N 2 1 341.540 2.555 20 30 EFEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536924 1105905857 /nfs/dbraw/zinc/90/58/57/1105905857.db2.gz KUFAEEUSUZBTRM-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549445 1105920399 /nfs/dbraw/zinc/92/03/99/1105920399.db2.gz LHJPQKMULXIJGI-KRWDZBQOSA-N 2 1 330.476 2.519 20 30 EFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556266 1105931192 /nfs/dbraw/zinc/93/11/92/1105931192.db2.gz DDWHSDSMEJJGAF-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105557058 1105931705 /nfs/dbraw/zinc/93/17/05/1105931705.db2.gz WIXJWFSCYQUCRU-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563289 1105942699 /nfs/dbraw/zinc/94/26/99/1105942699.db2.gz IWYNHMZHMKPJLO-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575204 1105962518 /nfs/dbraw/zinc/96/25/18/1105962518.db2.gz UTPPRRPUZXRDDB-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP CC1(C)CC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000898035128 1106206674 /nfs/dbraw/zinc/20/66/74/1106206674.db2.gz LYWVHUKYJGLSGW-UHFFFAOYSA-N 2 1 340.515 2.844 20 30 EFEDMP CC1(C)CC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000898035128 1106206678 /nfs/dbraw/zinc/20/66/78/1106206678.db2.gz LYWVHUKYJGLSGW-UHFFFAOYSA-N 2 1 340.515 2.844 20 30 EFEDMP C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131356 1106523620 /nfs/dbraw/zinc/52/36/20/1106523620.db2.gz PDUCPUHPEWXYMF-CQSZACIVSA-N 2 1 344.434 2.782 20 30 EFEDMP C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131356 1106523624 /nfs/dbraw/zinc/52/36/24/1106523624.db2.gz PDUCPUHPEWXYMF-CQSZACIVSA-N 2 1 344.434 2.782 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991022706 1107089967 /nfs/dbraw/zinc/08/99/67/1107089967.db2.gz VYYCNYAAUBAPCC-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991022706 1107089971 /nfs/dbraw/zinc/08/99/71/1107089971.db2.gz VYYCNYAAUBAPCC-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991022706 1107089986 /nfs/dbraw/zinc/08/99/86/1107089986.db2.gz VYYCNYAAUBAPCC-CMKODMSKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346172 1107389645 /nfs/dbraw/zinc/38/96/45/1107389645.db2.gz VYEKEFWPIONZKT-GOSISDBHSA-N 2 1 329.488 2.742 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106411 1107501146 /nfs/dbraw/zinc/50/11/46/1107501146.db2.gz FLBYNCCDIFMFBL-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719403 /nfs/dbraw/zinc/71/94/03/1107719403.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719414 /nfs/dbraw/zinc/71/94/14/1107719414.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719425 /nfs/dbraw/zinc/71/94/25/1107719425.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226394 /nfs/dbraw/zinc/22/63/94/1108226394.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226405 /nfs/dbraw/zinc/22/64/05/1108226405.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226417 /nfs/dbraw/zinc/22/64/17/1108226417.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990613391 1108391022 /nfs/dbraw/zinc/39/10/22/1108391022.db2.gz JUBSSYZYXJIPCQ-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990613391 1108391031 /nfs/dbraw/zinc/39/10/31/1108391031.db2.gz JUBSSYZYXJIPCQ-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990613391 1108391040 /nfs/dbraw/zinc/39/10/40/1108391040.db2.gz JUBSSYZYXJIPCQ-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1ccnc1 ZINC001272478403 1108452523 /nfs/dbraw/zinc/45/25/23/1108452523.db2.gz KGHSJHNPOCTAHV-QZTJIDSGSA-N 2 1 332.492 2.919 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658846 1108623226 /nfs/dbraw/zinc/62/32/26/1108623226.db2.gz JXVQGXOIQVFJHE-FBBABVLZSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658846 1108623228 /nfs/dbraw/zinc/62/32/28/1108623228.db2.gz JXVQGXOIQVFJHE-FBBABVLZSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766521 1109230949 /nfs/dbraw/zinc/23/09/49/1109230949.db2.gz VXOCLRVFLYTHON-DMUMMCEESA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766521 1109230954 /nfs/dbraw/zinc/23/09/54/1109230954.db2.gz VXOCLRVFLYTHON-DMUMMCEESA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766521 1109230958 /nfs/dbraw/zinc/23/09/58/1109230958.db2.gz VXOCLRVFLYTHON-DMUMMCEESA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076162008 1109684263 /nfs/dbraw/zinc/68/42/63/1109684263.db2.gz ZELCANHGUCVYNG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162008 1109684266 /nfs/dbraw/zinc/68/42/66/1109684266.db2.gz ZELCANHGUCVYNG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162008 1109684270 /nfs/dbraw/zinc/68/42/70/1109684270.db2.gz ZELCANHGUCVYNG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076162009 1109684294 /nfs/dbraw/zinc/68/42/94/1109684294.db2.gz ZELCANHGUCVYNG-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162009 1109684296 /nfs/dbraw/zinc/68/42/96/1109684296.db2.gz ZELCANHGUCVYNG-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162009 1109684299 /nfs/dbraw/zinc/68/42/99/1109684299.db2.gz ZELCANHGUCVYNG-IPMKNSEASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320396 1109765974 /nfs/dbraw/zinc/76/59/74/1109765974.db2.gz AEJFTLWPWGDODB-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320396 1109765978 /nfs/dbraw/zinc/76/59/78/1109765978.db2.gz AEJFTLWPWGDODB-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604059 1109943764 /nfs/dbraw/zinc/94/37/64/1109943764.db2.gz KBQYNDMWPOSLIH-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248588 1111216655 /nfs/dbraw/zinc/21/66/55/1111216655.db2.gz UATCMONAELMOIJ-CEXWTWQISA-N 2 1 335.536 2.615 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249659 1111219366 /nfs/dbraw/zinc/21/93/66/1111219366.db2.gz MKCXVFALJMQXCT-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249637 1111219381 /nfs/dbraw/zinc/21/93/81/1111219381.db2.gz LSFYUABRKKBAEL-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202926 1111222981 /nfs/dbraw/zinc/22/29/81/1111222981.db2.gz GTFSWROSYCEURK-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202925 1111223002 /nfs/dbraw/zinc/22/30/02/1111223002.db2.gz GTFSWROSYCEURK-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571011 1111641621 /nfs/dbraw/zinc/64/16/21/1111641621.db2.gz JIDQSCAMSIECOE-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869187 1111932911 /nfs/dbraw/zinc/93/29/11/1111932911.db2.gz VNNDNEPOWJJEFC-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299807 1111941184 /nfs/dbraw/zinc/94/11/84/1111941184.db2.gz WCLPHMPCSAJZFS-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299807 1111941186 /nfs/dbraw/zinc/94/11/86/1111941186.db2.gz WCLPHMPCSAJZFS-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099299807 1111941189 /nfs/dbraw/zinc/94/11/89/1111941189.db2.gz WCLPHMPCSAJZFS-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099299807 1111941192 /nfs/dbraw/zinc/94/11/92/1111941192.db2.gz WCLPHMPCSAJZFS-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386650 1112048465 /nfs/dbraw/zinc/04/84/65/1112048465.db2.gz RXVNZAOMNLDXLE-MOPGFXCFSA-N 2 1 347.547 2.901 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402091 1112072006 /nfs/dbraw/zinc/07/20/06/1112072006.db2.gz BBXQXWGLKYIXOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402091 1112072011 /nfs/dbraw/zinc/07/20/11/1112072011.db2.gz BBXQXWGLKYIXOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402091 1112072016 /nfs/dbraw/zinc/07/20/16/1112072016.db2.gz BBXQXWGLKYIXOU-RBUKOAKNSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403358 1112073204 /nfs/dbraw/zinc/07/32/04/1112073204.db2.gz RLCKEAXTVJHPKW-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403358 1112073206 /nfs/dbraw/zinc/07/32/06/1112073206.db2.gz RLCKEAXTVJHPKW-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403358 1112073211 /nfs/dbraw/zinc/07/32/11/1112073211.db2.gz RLCKEAXTVJHPKW-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405642 1112077333 /nfs/dbraw/zinc/07/73/33/1112077333.db2.gz CXJROAAJLCWPNV-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405642 1112077337 /nfs/dbraw/zinc/07/73/37/1112077337.db2.gz CXJROAAJLCWPNV-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407429 1112080422 /nfs/dbraw/zinc/08/04/22/1112080422.db2.gz ZJDSLHNOMSPQPJ-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407429 1112080425 /nfs/dbraw/zinc/08/04/25/1112080425.db2.gz ZJDSLHNOMSPQPJ-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)CC(C)(C)C1 ZINC001089410802 1112085456 /nfs/dbraw/zinc/08/54/56/1112085456.db2.gz VUCROZNUUREKBS-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(=C)C)CC(C)(C)C1 ZINC001089410802 1112085461 /nfs/dbraw/zinc/08/54/61/1112085461.db2.gz VUCROZNUUREKBS-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)CC(C)(C)C1 ZINC001089410802 1112085466 /nfs/dbraw/zinc/08/54/66/1112085466.db2.gz VUCROZNUUREKBS-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)CC(C)(C)C1 ZINC001089410802 1112085470 /nfs/dbraw/zinc/08/54/70/1112085470.db2.gz VUCROZNUUREKBS-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)CC(C)(C)C1 ZINC001089416457 1112095504 /nfs/dbraw/zinc/09/55/04/1112095504.db2.gz MHSINUQGXADQSX-KRWDZBQOSA-N 2 1 345.487 2.816 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089420114 1112096867 /nfs/dbraw/zinc/09/68/67/1112096867.db2.gz JSVFNHHAFZWICR-OAHLLOKOSA-N 2 1 326.444 2.969 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421871 1112102823 /nfs/dbraw/zinc/10/28/23/1112102823.db2.gz YYKFNQSGDXDWEB-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421871 1112102826 /nfs/dbraw/zinc/10/28/26/1112102826.db2.gz YYKFNQSGDXDWEB-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421871 1112102829 /nfs/dbraw/zinc/10/28/29/1112102829.db2.gz YYKFNQSGDXDWEB-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421869 1112103035 /nfs/dbraw/zinc/10/30/35/1112103035.db2.gz YYKFNQSGDXDWEB-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421869 1112103039 /nfs/dbraw/zinc/10/30/39/1112103039.db2.gz YYKFNQSGDXDWEB-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421869 1112103041 /nfs/dbraw/zinc/10/30/41/1112103041.db2.gz YYKFNQSGDXDWEB-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425952 1112115696 /nfs/dbraw/zinc/11/56/96/1112115696.db2.gz GHWQPWGVRBJVER-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425952 1112115697 /nfs/dbraw/zinc/11/56/97/1112115697.db2.gz GHWQPWGVRBJVER-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425952 1112115699 /nfs/dbraw/zinc/11/56/99/1112115699.db2.gz GHWQPWGVRBJVER-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089471768 1112196554 /nfs/dbraw/zinc/19/65/54/1112196554.db2.gz ABFPOAYKONROGY-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471768 1112196555 /nfs/dbraw/zinc/19/65/55/1112196555.db2.gz ABFPOAYKONROGY-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471768 1112196556 /nfs/dbraw/zinc/19/65/56/1112196556.db2.gz ABFPOAYKONROGY-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475510 1112197668 /nfs/dbraw/zinc/19/76/68/1112197668.db2.gz BSHIZVYSHONNGC-MRXNPFEDSA-N 2 1 333.476 2.748 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473518 1112200634 /nfs/dbraw/zinc/20/06/34/1112200634.db2.gz YKJYELFROZYSDK-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473518 1112200636 /nfs/dbraw/zinc/20/06/36/1112200636.db2.gz YKJYELFROZYSDK-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473518 1112200638 /nfs/dbraw/zinc/20/06/38/1112200638.db2.gz YKJYELFROZYSDK-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483695 1112216189 /nfs/dbraw/zinc/21/61/89/1112216189.db2.gz MQTPEQHWCIGCEJ-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491438 1112226398 /nfs/dbraw/zinc/22/63/98/1112226398.db2.gz NRGCGLMSLGNNKN-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491438 1112226403 /nfs/dbraw/zinc/22/64/03/1112226403.db2.gz NRGCGLMSLGNNKN-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537445 1112276474 /nfs/dbraw/zinc/27/64/74/1112276474.db2.gz MKEDUDBNBSPKQO-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537445 1112276476 /nfs/dbraw/zinc/27/64/76/1112276476.db2.gz MKEDUDBNBSPKQO-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537445 1112276477 /nfs/dbraw/zinc/27/64/77/1112276477.db2.gz MKEDUDBNBSPKQO-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534387 1112280036 /nfs/dbraw/zinc/28/00/36/1112280036.db2.gz RBJOFMKZJDMHKT-GOSISDBHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538543 1112284343 /nfs/dbraw/zinc/28/43/43/1112284343.db2.gz WMGXGZIIQRLNDX-IBGZPJMESA-N 2 1 347.547 2.901 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089538611 1112284542 /nfs/dbraw/zinc/28/45/42/1112284542.db2.gz XLCPFKOCBQWIKY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538611 1112284547 /nfs/dbraw/zinc/28/45/47/1112284547.db2.gz XLCPFKOCBQWIKY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538611 1112284550 /nfs/dbraw/zinc/28/45/50/1112284550.db2.gz XLCPFKOCBQWIKY-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560239 1112308469 /nfs/dbraw/zinc/30/84/69/1112308469.db2.gz AIDHVTIVERBWIR-IBGZPJMESA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561127 1112310482 /nfs/dbraw/zinc/31/04/82/1112310482.db2.gz MKXPIJTUORQEMM-IBGZPJMESA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642424 1112436294 /nfs/dbraw/zinc/43/62/94/1112436294.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642424 1112436300 /nfs/dbraw/zinc/43/63/00/1112436300.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642424 1112436303 /nfs/dbraw/zinc/43/63/03/1112436303.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089645179 1112439004 /nfs/dbraw/zinc/43/90/04/1112439004.db2.gz QVHZHYPRJQCJBT-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089645179 1112439007 /nfs/dbraw/zinc/43/90/07/1112439007.db2.gz QVHZHYPRJQCJBT-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089645179 1112439010 /nfs/dbraw/zinc/43/90/10/1112439010.db2.gz QVHZHYPRJQCJBT-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649105 1112463060 /nfs/dbraw/zinc/46/30/60/1112463060.db2.gz ARZKQDAMGRANIZ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649105 1112463063 /nfs/dbraw/zinc/46/30/63/1112463063.db2.gz ARZKQDAMGRANIZ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649510 1112475440 /nfs/dbraw/zinc/47/54/40/1112475440.db2.gz KPEJZDYLJTUFOD-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649510 1112475443 /nfs/dbraw/zinc/47/54/43/1112475443.db2.gz KPEJZDYLJTUFOD-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650273 1112499447 /nfs/dbraw/zinc/49/94/47/1112499447.db2.gz XXDQRYMUMLFNBV-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650273 1112499449 /nfs/dbraw/zinc/49/94/49/1112499449.db2.gz XXDQRYMUMLFNBV-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089654376 1112529527 /nfs/dbraw/zinc/52/95/27/1112529527.db2.gz XYQANQKPDOQOLU-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656356 1112565300 /nfs/dbraw/zinc/56/53/00/1112565300.db2.gz HFQBZENONCJJDE-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663159 1112605087 /nfs/dbraw/zinc/60/50/87/1112605087.db2.gz HWYHHHFJWHLLIZ-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663159 1112605090 /nfs/dbraw/zinc/60/50/90/1112605090.db2.gz HWYHHHFJWHLLIZ-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665141 1112619574 /nfs/dbraw/zinc/61/95/74/1112619574.db2.gz VHSZDDDEBXESPJ-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089704952 1112850083 /nfs/dbraw/zinc/85/00/83/1112850083.db2.gz ADCRTJGMLUZUKF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089704952 1112850086 /nfs/dbraw/zinc/85/00/86/1112850086.db2.gz ADCRTJGMLUZUKF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089704952 1112850089 /nfs/dbraw/zinc/85/00/89/1112850089.db2.gz ADCRTJGMLUZUKF-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484169606 1112877899 /nfs/dbraw/zinc/87/78/99/1112877899.db2.gz CPOQERMLAYIDAG-GOSISDBHSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484169606 1112877903 /nfs/dbraw/zinc/87/79/03/1112877903.db2.gz CPOQERMLAYIDAG-GOSISDBHSA-N 2 1 341.927 2.689 20 30 EFEDMP C=CCCCCCC[N@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001272703089 1118685612 /nfs/dbraw/zinc/68/56/12/1118685612.db2.gz YZPFSHVSLAQKPY-HXUWFJFHSA-N 2 1 344.503 2.944 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834498 1118786050 /nfs/dbraw/zinc/78/60/50/1118786050.db2.gz HSGNLWUJDFNKJW-MRXNPFEDSA-N 2 1 344.503 2.506 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581435 1118989251 /nfs/dbraw/zinc/98/92/51/1118989251.db2.gz GQUCUGYJQXMETL-RDJZCZTQSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272717136 1118994359 /nfs/dbraw/zinc/99/43/59/1118994359.db2.gz POWIICKAMOXMDY-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272718463 1119172452 /nfs/dbraw/zinc/17/24/52/1119172452.db2.gz IJSCRGWOKSXTOU-HXUWFJFHSA-N 2 1 333.520 2.896 20 30 EFEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272718463 1119172453 /nfs/dbraw/zinc/17/24/53/1119172453.db2.gz IJSCRGWOKSXTOU-HXUWFJFHSA-N 2 1 333.520 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875277 1119766354 /nfs/dbraw/zinc/76/63/54/1119766354.db2.gz CVPYFFILRXAFIV-VQIMIIECSA-N 2 1 338.455 2.889 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046700 1119892788 /nfs/dbraw/zinc/89/27/88/1119892788.db2.gz KKMHFUBLFCANAF-APWZRJJASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107038696 1120043037 /nfs/dbraw/zinc/04/30/37/1120043037.db2.gz DKJLZIWTZMXSDT-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039792 1120079376 /nfs/dbraw/zinc/07/93/76/1120079376.db2.gz YYNAZLFRZUYFBO-QRQLOZEOSA-N 2 1 329.488 2.550 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075327 1120270434 /nfs/dbraw/zinc/27/04/34/1120270434.db2.gz VRLBODPSCHDMOW-CRAIPNDOSA-N 2 1 349.906 2.555 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075327 1120270437 /nfs/dbraw/zinc/27/04/37/1120270437.db2.gz VRLBODPSCHDMOW-CRAIPNDOSA-N 2 1 349.906 2.555 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180989337 234054249 /nfs/dbraw/zinc/05/42/49/234054249.db2.gz MXOLDHIMTFNBRM-OAQYLSRUSA-N 2 1 335.451 2.805 20 30 EFEDMP C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262448771 240354024 /nfs/dbraw/zinc/35/40/24/240354024.db2.gz VQZNNIPGQMRYAW-QBYUYEEZSA-N 2 1 334.533 2.952 20 30 EFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718483 216299012 /nfs/dbraw/zinc/29/90/12/216299012.db2.gz AIFLZBDYJABBPE-QGZVFWFLSA-N 2 1 340.471 2.695 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430284 239104888 /nfs/dbraw/zinc/10/48/88/239104888.db2.gz BNKBVVUSYBLRBZ-CALCHBBNSA-N 2 1 344.503 2.608 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000193342381 240098750 /nfs/dbraw/zinc/09/87/50/240098750.db2.gz MCHPSTPCJGNLON-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246920269 240274527 /nfs/dbraw/zinc/27/45/27/240274527.db2.gz MSAXLDHFKSGCSM-ICSRJNTNSA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246920269 240274533 /nfs/dbraw/zinc/27/45/33/240274533.db2.gz MSAXLDHFKSGCSM-ICSRJNTNSA-N 2 1 344.499 2.573 20 30 EFEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000247247350 240278405 /nfs/dbraw/zinc/27/84/05/240278405.db2.gz PGUCODBBIAAXTE-GHTZIAJQSA-N 2 1 344.499 2.925 20 30 EFEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261965258 240334722 /nfs/dbraw/zinc/33/47/22/240334722.db2.gz LGECUUGUSPSTTE-BXUZGUMPSA-N 2 1 340.924 2.592 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C)C1 ZINC000262018513 240342330 /nfs/dbraw/zinc/34/23/30/240342330.db2.gz WWFQOFWDPDGHRU-GJZGRUSLSA-N 2 1 346.475 2.695 20 30 EFEDMP CC[C@@H]1CN(C(NC[C@H]2CCC[N@H+](C(C)C)C2)=[NH+]C)CCS1 ZINC000262021958 240343054 /nfs/dbraw/zinc/34/30/54/240343054.db2.gz WFHXURGXMYPJCU-HZPDHXFCSA-N 2 1 326.554 2.510 20 30 EFEDMP C[NH+]=C(NC1CCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262822813 240371754 /nfs/dbraw/zinc/37/17/54/240371754.db2.gz YTASJMRBNPPAKG-YQQQUEKLSA-N 2 1 326.488 2.900 20 30 EFEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000263183852 240380680 /nfs/dbraw/zinc/38/06/80/240380680.db2.gz WJASWHONZACTAF-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCc2ccccc21 ZINC000263116129 240380754 /nfs/dbraw/zinc/38/07/54/240380754.db2.gz FXEDLEVJAOQDKD-UHFFFAOYSA-N 2 1 346.438 2.714 20 30 EFEDMP CCCCCCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304759620 241199004 /nfs/dbraw/zinc/19/90/04/241199004.db2.gz RJBSHEDTQRJULA-UHFFFAOYSA-N 2 1 349.523 2.988 20 30 EFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329165398 241318021 /nfs/dbraw/zinc/31/80/21/241318021.db2.gz HDLGPVKASHZPGK-CWRNSKLLSA-N 2 1 334.464 2.575 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000329458231 241373998 /nfs/dbraw/zinc/37/39/98/241373998.db2.gz ODPBTPLPRHGOGK-JTDSTZFVSA-N 2 1 345.487 2.583 20 30 EFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000329458231 241374003 /nfs/dbraw/zinc/37/40/03/241374003.db2.gz ODPBTPLPRHGOGK-JTDSTZFVSA-N 2 1 345.487 2.583 20 30 EFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000329458231 241374008 /nfs/dbraw/zinc/37/40/08/241374008.db2.gz ODPBTPLPRHGOGK-JTDSTZFVSA-N 2 1 345.487 2.583 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329465373 241376263 /nfs/dbraw/zinc/37/62/63/241376263.db2.gz VAMRIAURGSCRIE-BBRMVZONSA-N 2 1 347.507 2.868 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329465373 241376270 /nfs/dbraw/zinc/37/62/70/241376270.db2.gz VAMRIAURGSCRIE-BBRMVZONSA-N 2 1 347.507 2.868 20 30 EFEDMP CC[C@](C)(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367593636 242386409 /nfs/dbraw/zinc/38/64/09/242386409.db2.gz ICVRGKOABDDXOL-HXUWFJFHSA-N 2 1 348.535 2.581 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441358390 250024193 /nfs/dbraw/zinc/02/41/93/250024193.db2.gz OKJOXEPGPLUJAU-VQTJNVASSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441358390 250024200 /nfs/dbraw/zinc/02/42/00/250024200.db2.gz OKJOXEPGPLUJAU-VQTJNVASSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441358390 250024203 /nfs/dbraw/zinc/02/42/03/250024203.db2.gz OKJOXEPGPLUJAU-VQTJNVASSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441358390 250024208 /nfs/dbraw/zinc/02/42/08/250024208.db2.gz OKJOXEPGPLUJAU-VQTJNVASSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441358387 250024765 /nfs/dbraw/zinc/02/47/65/250024765.db2.gz OKJOXEPGPLUJAU-PMACEKPBSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441358387 250024770 /nfs/dbraw/zinc/02/47/70/250024770.db2.gz OKJOXEPGPLUJAU-PMACEKPBSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441358387 250024775 /nfs/dbraw/zinc/02/47/75/250024775.db2.gz OKJOXEPGPLUJAU-PMACEKPBSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441358387 250024777 /nfs/dbraw/zinc/02/47/77/250024777.db2.gz OKJOXEPGPLUJAU-PMACEKPBSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063510 250156005 /nfs/dbraw/zinc/15/60/05/250156005.db2.gz WSNNATQTDAZIGE-HZPDHXFCSA-N 2 1 335.517 2.712 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000093844283 218254730 /nfs/dbraw/zinc/25/47/30/218254730.db2.gz ZTZRYWDIJHSZGY-IYBDPMFKSA-N 2 1 331.460 2.863 20 30 EFEDMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000449781975 251155435 /nfs/dbraw/zinc/15/54/35/251155435.db2.gz JWTPYKUJYKBSRT-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000449781975 251155438 /nfs/dbraw/zinc/15/54/38/251155438.db2.gz JWTPYKUJYKBSRT-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP CC(C)[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000450246065 251313211 /nfs/dbraw/zinc/31/32/11/251313211.db2.gz ZTRJBEDBJJMNBM-NRFANRHFSA-N 2 1 340.515 2.939 20 30 EFEDMP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1F ZINC000262683029 533277950 /nfs/dbraw/zinc/27/79/50/533277950.db2.gz XCCPFVJYLXASRJ-BBRMVZONSA-N 2 1 336.842 2.542 20 30 EFEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C#N)ccc1F ZINC000344192880 145389477 /nfs/dbraw/zinc/38/94/77/145389477.db2.gz ZGZIOBNLZMTPRY-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C#N)ccc1F ZINC000344192880 145389479 /nfs/dbraw/zinc/38/94/79/145389479.db2.gz ZGZIOBNLZMTPRY-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421727 151344921 /nfs/dbraw/zinc/34/49/21/151344921.db2.gz PFUXUTHLIUNEHE-RLLQIKCJSA-N 2 1 343.471 2.511 20 30 EFEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262423351 287343151 /nfs/dbraw/zinc/34/31/51/287343151.db2.gz AXGZQSGROKPZMD-WBVHZDCISA-N 2 1 344.503 2.925 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153908 /nfs/dbraw/zinc/15/39/08/266153908.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153911 /nfs/dbraw/zinc/15/39/11/266153911.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153914 /nfs/dbraw/zinc/15/39/14/266153914.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000482162123 267059501 /nfs/dbraw/zinc/05/95/01/267059501.db2.gz GUWSJHXQHJKAPF-IEBWSBKVSA-N 2 1 342.487 2.987 20 30 EFEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000262492947 274205207 /nfs/dbraw/zinc/20/52/07/274205207.db2.gz JOMCELUAHARSOO-VYDXJSESSA-N 2 1 330.476 2.535 20 30 EFEDMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196447 274347350 /nfs/dbraw/zinc/34/73/50/274347350.db2.gz DJIHTROSDLRIPB-MRXNPFEDSA-N 2 1 344.503 2.793 20 30 EFEDMP CCNC(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)=[NH+]CC ZINC000058193454 276095170 /nfs/dbraw/zinc/09/51/70/276095170.db2.gz VNJPZCAJUSCFOF-SFHVURJKSA-N 2 1 332.492 2.797 20 30 EFEDMP C[N@@H+](CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000327373978 311245211 /nfs/dbraw/zinc/24/52/11/311245211.db2.gz MOGVXGGKAUNCJW-LJQANCHMSA-N 2 1 345.487 2.542 20 30 EFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000577062762 320074431 /nfs/dbraw/zinc/07/44/31/320074431.db2.gz PPXZNJPOYMSHNU-UHFFFAOYSA-N 2 1 348.454 2.685 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633648 473236150 /nfs/dbraw/zinc/23/61/50/473236150.db2.gz JHIXFOQKNKQYQM-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633648 473236155 /nfs/dbraw/zinc/23/61/55/473236155.db2.gz JHIXFOQKNKQYQM-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633648 473236156 /nfs/dbraw/zinc/23/61/56/473236156.db2.gz JHIXFOQKNKQYQM-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP N#Cc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124796272 473305545 /nfs/dbraw/zinc/30/55/45/473305545.db2.gz JAFLNKCKEBCOTM-UHFFFAOYSA-N 2 1 340.515 2.942 20 30 EFEDMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000116395965 472399010 /nfs/dbraw/zinc/39/90/10/472399010.db2.gz AISNUIHNIZXXSR-PBHICJAKSA-N 2 1 330.476 2.841 20 30 EFEDMP C#CCNC(=[NH+]CC)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000119471248 472558767 /nfs/dbraw/zinc/55/87/67/472558767.db2.gz JRIXWAFWTBLUSD-WOJBJXKFSA-N 2 1 338.499 2.572 20 30 EFEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000090970966 472669802 /nfs/dbraw/zinc/66/98/02/472669802.db2.gz RTZQHOAOWDMVSZ-QGLXBCBXSA-N 2 1 340.471 2.860 20 30 EFEDMP C[N@H+](CCC(=O)Nc1ccccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000072725182 472708820 /nfs/dbraw/zinc/70/88/20/472708820.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725182 472708824 /nfs/dbraw/zinc/70/88/24/472708824.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000072725182 472708829 /nfs/dbraw/zinc/70/88/29/472708829.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 2 1 328.460 2.693 20 30 EFEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157363149 472812449 /nfs/dbraw/zinc/81/24/49/472812449.db2.gz XSRPYFGQOUZUAQ-SFHVURJKSA-N 2 1 346.519 2.510 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000106034141 472819077 /nfs/dbraw/zinc/81/90/77/472819077.db2.gz DGOKNSBSDXGXPW-FQEVSTJZSA-N 2 1 341.499 2.808 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563376 472889230 /nfs/dbraw/zinc/88/92/30/472889230.db2.gz MMFYNIOFTOFZTC-HXUWFJFHSA-N 2 1 348.535 2.629 20 30 EFEDMP C=CC[NH+](CC=C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079866300 472935009 /nfs/dbraw/zinc/93/50/09/472935009.db2.gz LFMBQMATBQDICT-UHFFFAOYSA-N 2 1 327.472 2.573 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092801579 472987906 /nfs/dbraw/zinc/98/79/06/472987906.db2.gz ISBXKLDRWMLRNL-SFHVURJKSA-N 2 1 348.535 2.725 20 30 EFEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923938 472990807 /nfs/dbraw/zinc/99/08/07/472990807.db2.gz HFBJEBJKLBUFKD-MISYRCLQSA-N 2 1 325.456 2.540 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923938 472990809 /nfs/dbraw/zinc/99/08/09/472990809.db2.gz HFBJEBJKLBUFKD-MISYRCLQSA-N 2 1 325.456 2.540 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923938 472990813 /nfs/dbraw/zinc/99/08/13/472990813.db2.gz HFBJEBJKLBUFKD-MISYRCLQSA-N 2 1 325.456 2.540 20 30 EFEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109786197 473123726 /nfs/dbraw/zinc/12/37/26/473123726.db2.gz JPSUHADCZQPYMG-UHFFFAOYSA-N 2 1 328.460 2.693 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066704201 473141305 /nfs/dbraw/zinc/14/13/05/473141305.db2.gz JEFYCGFQJQGBHV-SFHVURJKSA-N 2 1 336.524 2.591 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160694138 473162129 /nfs/dbraw/zinc/16/21/29/473162129.db2.gz FPAVZRHVWARDNJ-PKOBYXMFSA-N 2 1 330.472 2.586 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000136588960 473165831 /nfs/dbraw/zinc/16/58/31/473165831.db2.gz OFUXSNRVISFXRM-VQTJNVASSA-N 2 1 342.483 2.556 20 30 EFEDMP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185400698 473416033 /nfs/dbraw/zinc/41/60/33/473416033.db2.gz CARDFRAUYJKCKO-LPHOPBHVSA-N 2 1 329.488 2.828 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740625 473502397 /nfs/dbraw/zinc/50/23/97/473502397.db2.gz HUQOCRSNNOZDLM-RDJZCZTQSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740625 473502401 /nfs/dbraw/zinc/50/24/01/473502401.db2.gz HUQOCRSNNOZDLM-RDJZCZTQSA-N 2 1 340.471 2.739 20 30 EFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583593 473534399 /nfs/dbraw/zinc/53/43/99/473534399.db2.gz KYTCRJVSDXHVKG-XJKSGUPXSA-N 2 1 329.473 2.953 20 30 EFEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152414908 473559654 /nfs/dbraw/zinc/55/96/54/473559654.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 1 348.535 2.579 20 30 EFEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000186974943 473791500 /nfs/dbraw/zinc/79/15/00/473791500.db2.gz OSRJQTBUCMKSGL-AWEZNQCLSA-N 2 1 335.879 2.736 20 30 EFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169768 473816403 /nfs/dbraw/zinc/81/64/03/473816403.db2.gz XNKZZQXPKVWZQE-OAHLLOKOSA-N 2 1 348.454 2.890 20 30 EFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173794138 473931588 /nfs/dbraw/zinc/93/15/88/473931588.db2.gz GPNOVJKJFWSAPN-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086207 473948997 /nfs/dbraw/zinc/94/89/97/473948997.db2.gz JIGREJNCGAPOCJ-IPMKNSEASA-N 2 1 344.503 2.543 20 30 EFEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264089023 473949071 /nfs/dbraw/zinc/94/90/71/473949071.db2.gz KLFXYKPKICNTNF-UHFFFAOYSA-N 2 1 341.337 2.907 20 30 EFEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117830 473952455 /nfs/dbraw/zinc/95/24/55/473952455.db2.gz TYHYYEWNNJYVJN-KRWDZBQOSA-N 2 1 345.535 2.810 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000264125532 473952609 /nfs/dbraw/zinc/95/26/09/473952609.db2.gz SBTAKTWJZMNNFI-JKSUJKDBSA-N 2 1 332.492 2.500 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148342 473953143 /nfs/dbraw/zinc/95/31/43/473953143.db2.gz YNSLMPMZAYFRMJ-GFCCVEGCSA-N 2 1 330.354 2.796 20 30 EFEDMP CN(CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000180959094 473993595 /nfs/dbraw/zinc/99/35/95/473993595.db2.gz TYXOYIOIVKMXTB-UHFFFAOYSA-N 2 1 342.531 2.946 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156657 473997386 /nfs/dbraw/zinc/99/73/86/473997386.db2.gz PGCBWXPQKCQDEN-INIZCTEOSA-N 2 1 341.455 2.692 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000275599482 474248232 /nfs/dbraw/zinc/24/82/32/474248232.db2.gz LUOMLXZHHUPDOJ-UHFFFAOYSA-N 2 1 326.488 2.552 20 30 EFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443119 474325294 /nfs/dbraw/zinc/32/52/94/474325294.db2.gz LGUMQFAESXWNHG-HRAATJIYSA-N 2 1 335.451 2.976 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248758537 474427580 /nfs/dbraw/zinc/42/75/80/474427580.db2.gz DAAGJEBNWNBPPJ-UXPWSPDFSA-N 2 1 327.472 2.815 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905824 474480134 /nfs/dbraw/zinc/48/01/34/474480134.db2.gz WNNHFEOYNJHMNA-KXBFYZLASA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905824 474480146 /nfs/dbraw/zinc/48/01/46/474480146.db2.gz WNNHFEOYNJHMNA-KXBFYZLASA-N 2 1 333.451 2.924 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1F ZINC000340873451 474737911 /nfs/dbraw/zinc/73/79/11/474737911.db2.gz PLOCHVUVMFTALE-UHFFFAOYSA-N 2 1 331.435 2.774 20 30 EFEDMP C=CCN1CC[C@H]([NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000337156219 474744786 /nfs/dbraw/zinc/74/47/86/474744786.db2.gz ADHTWYNXZMUGPL-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678461 474778840 /nfs/dbraw/zinc/77/88/40/474778840.db2.gz LGAPALUFCZIJHU-RDJZCZTQSA-N 2 1 331.460 2.950 20 30 EFEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678461 474778852 /nfs/dbraw/zinc/77/88/52/474778852.db2.gz LGAPALUFCZIJHU-RDJZCZTQSA-N 2 1 331.460 2.950 20 30 EFEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278784885 474833944 /nfs/dbraw/zinc/83/39/44/474833944.db2.gz ZPNAYELHOXMIMX-UHFFFAOYSA-N 2 1 349.442 2.544 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509627 475014426 /nfs/dbraw/zinc/01/44/26/475014426.db2.gz HWSPJYCJFIXICJ-HKBOAZHASA-N 2 1 338.499 2.571 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509627 475014433 /nfs/dbraw/zinc/01/44/33/475014433.db2.gz HWSPJYCJFIXICJ-HKBOAZHASA-N 2 1 338.499 2.571 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285690123 475037476 /nfs/dbraw/zinc/03/74/76/475037476.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 1 333.476 2.622 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285690123 475037482 /nfs/dbraw/zinc/03/74/82/475037482.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 1 333.476 2.622 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285690123 475037488 /nfs/dbraw/zinc/03/74/88/475037488.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 1 333.476 2.622 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000294884622 475090593 /nfs/dbraw/zinc/09/05/93/475090593.db2.gz DPEPEEBPYAOYCF-QGZVFWFLSA-N 2 1 340.471 2.605 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000294884622 475090602 /nfs/dbraw/zinc/09/06/02/475090602.db2.gz DPEPEEBPYAOYCF-QGZVFWFLSA-N 2 1 340.471 2.605 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000294951573 475094279 /nfs/dbraw/zinc/09/42/79/475094279.db2.gz IQHIDUQBMVGBRM-INIZCTEOSA-N 2 1 349.906 2.622 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000294951573 475094285 /nfs/dbraw/zinc/09/42/85/475094285.db2.gz IQHIDUQBMVGBRM-INIZCTEOSA-N 2 1 349.906 2.622 20 30 EFEDMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000329810976 475138191 /nfs/dbraw/zinc/13/81/91/475138191.db2.gz MQOKJSBDEJTACC-WBVHZDCISA-N 2 1 345.491 2.558 20 30 EFEDMP Cc1cc(N2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000330197368 475211092 /nfs/dbraw/zinc/21/10/92/475211092.db2.gz RSFQLWOFVGKTGP-GASCZTMLSA-N 2 1 345.491 2.892 20 30 EFEDMP Cc1cc(N2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000330197368 475211094 /nfs/dbraw/zinc/21/10/94/475211094.db2.gz RSFQLWOFVGKTGP-GASCZTMLSA-N 2 1 345.491 2.892 20 30 EFEDMP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330229336 475215655 /nfs/dbraw/zinc/21/56/55/475215655.db2.gz QDLLFKSETCYDEN-IBGZPJMESA-N 2 1 343.471 2.858 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330240709 475216309 /nfs/dbraw/zinc/21/63/09/475216309.db2.gz WBDUFPHXDWJXRE-CYGHRXIMSA-N 2 1 337.508 2.584 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922460 475357105 /nfs/dbraw/zinc/35/71/05/475357105.db2.gz CPUOPENTWNZCGN-YZLZLFLDSA-N 2 1 348.535 2.672 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922460 475357115 /nfs/dbraw/zinc/35/71/15/475357115.db2.gz CPUOPENTWNZCGN-YZLZLFLDSA-N 2 1 348.535 2.672 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361344957 475372657 /nfs/dbraw/zinc/37/26/57/475372657.db2.gz HBMBVPJPKBWBAI-IIHSZXCVSA-N 2 1 344.478 2.984 20 30 EFEDMP C=CCOCCC[N@H+](C)C[C@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000348115326 475402230 /nfs/dbraw/zinc/40/22/30/475402230.db2.gz XZSOKQXCFOVATD-IEBWSBKVSA-N 2 1 334.508 2.718 20 30 EFEDMP C=CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000342738187 475634445 /nfs/dbraw/zinc/63/44/45/475634445.db2.gz TWUNMJDRSWSWCY-UHFFFAOYSA-N 2 1 329.488 2.584 20 30 EFEDMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655043 /nfs/dbraw/zinc/65/50/43/475655043.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 1 337.427 2.524 20 30 EFEDMP C=C(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000352865631 475659145 /nfs/dbraw/zinc/65/91/45/475659145.db2.gz DCKXGPLIMMAUPE-UHFFFAOYSA-N 2 1 349.519 2.566 20 30 EFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343065211 475735774 /nfs/dbraw/zinc/73/57/74/475735774.db2.gz SSCLJOUTVNUAQE-INIZCTEOSA-N 2 1 342.487 2.542 20 30 EFEDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000340600328 476141987 /nfs/dbraw/zinc/14/19/87/476141987.db2.gz KOJHKIGXLHCVHB-INIZCTEOSA-N 2 1 342.487 2.939 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000350339063 476142174 /nfs/dbraw/zinc/14/21/74/476142174.db2.gz ZWDQTCGECOFXJV-SFHVURJKSA-N 2 1 340.471 2.744 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000350339063 476142180 /nfs/dbraw/zinc/14/21/80/476142180.db2.gz ZWDQTCGECOFXJV-SFHVURJKSA-N 2 1 340.471 2.744 20 30 EFEDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839688 476420366 /nfs/dbraw/zinc/42/03/66/476420366.db2.gz IZEHPOFLJCUPTQ-OAQYLSRUSA-N 2 1 340.515 2.943 20 30 EFEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075926 476452144 /nfs/dbraw/zinc/45/21/44/476452144.db2.gz YEOKRCOIRVVULF-MRXNPFEDSA-N 2 1 340.471 2.693 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncccc1C#N ZINC000378035721 476676490 /nfs/dbraw/zinc/67/64/90/476676490.db2.gz NQYXXTWKFIRICC-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981434 476877429 /nfs/dbraw/zinc/87/74/29/476877429.db2.gz SURFNCYAELCFKN-CTNGQTDRSA-N 2 1 341.499 2.872 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981437 476877805 /nfs/dbraw/zinc/87/78/05/476877805.db2.gz SURFNCYAELCFKN-TZIWHRDSSA-N 2 1 341.499 2.872 20 30 EFEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000422980544 476878472 /nfs/dbraw/zinc/87/84/72/476878472.db2.gz QFSDDDAHFFNKJX-YXJHDRRASA-N 2 1 330.451 2.786 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370651484 476915842 /nfs/dbraw/zinc/91/58/42/476915842.db2.gz QIABBXQQGCPIAJ-SFHVURJKSA-N 2 1 341.499 2.665 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126012 477299648 /nfs/dbraw/zinc/29/96/48/477299648.db2.gz BAQXXDHXANEBHS-CRAIPNDOSA-N 2 1 328.460 2.878 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142474 477307100 /nfs/dbraw/zinc/30/71/00/477307100.db2.gz YHJQCOMXABQZTJ-LPHOPBHVSA-N 2 1 342.487 2.556 20 30 EFEDMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150410 477310443 /nfs/dbraw/zinc/31/04/43/477310443.db2.gz YNOSXVSNKNYOPS-NEWSRXKRSA-N 2 1 342.487 2.519 20 30 EFEDMP CC1(C#N)CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449166010 477466155 /nfs/dbraw/zinc/46/61/55/477466155.db2.gz YSRJFHVYIDRIHM-SOAGJPPSSA-N 2 1 327.472 2.685 20 30 EFEDMP CC1(C#N)CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449166010 477466161 /nfs/dbraw/zinc/46/61/61/477466161.db2.gz YSRJFHVYIDRIHM-SOAGJPPSSA-N 2 1 327.472 2.685 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449166611 477467206 /nfs/dbraw/zinc/46/72/06/477467206.db2.gz FAPLKEQFNQOKAU-OSIBBQKWSA-N 2 1 341.499 2.931 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449166611 477467213 /nfs/dbraw/zinc/46/72/13/477467213.db2.gz FAPLKEQFNQOKAU-OSIBBQKWSA-N 2 1 341.499 2.931 20 30 EFEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000367460366 477523144 /nfs/dbraw/zinc/52/31/44/477523144.db2.gz ZXLPWAZMOXTLDT-WOJBJXKFSA-N 2 1 336.520 2.772 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000437095453 477670641 /nfs/dbraw/zinc/67/06/41/477670641.db2.gz KNIAVWPSPJRNAL-CCGTUFIJSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C ZINC000437095453 477670648 /nfs/dbraw/zinc/67/06/48/477670648.db2.gz KNIAVWPSPJRNAL-CCGTUFIJSA-N 2 1 328.460 2.716 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000372168245 477673134 /nfs/dbraw/zinc/67/31/34/477673134.db2.gz BOZIXZBWFQEZCV-FQEVSTJZSA-N 2 1 345.918 2.792 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000372168245 477673138 /nfs/dbraw/zinc/67/31/38/477673138.db2.gz BOZIXZBWFQEZCV-FQEVSTJZSA-N 2 1 345.918 2.792 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000420339080 477708910 /nfs/dbraw/zinc/70/89/10/477708910.db2.gz QGEJXXSJZKSPNE-LJQANCHMSA-N 2 1 329.488 2.938 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368232237 477792936 /nfs/dbraw/zinc/79/29/36/477792936.db2.gz ABPDQSOIRFRYHZ-FRYIKTPZSA-N 2 1 341.499 2.567 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000482165949 478027215 /nfs/dbraw/zinc/02/72/15/478027215.db2.gz RYSFPKXQIVHDCN-SCTDSRPQSA-N 2 1 336.524 2.531 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000421380798 478063541 /nfs/dbraw/zinc/06/35/41/478063541.db2.gz WDMHTLKMETYLLX-UHFFFAOYSA-N 2 1 332.517 2.612 20 30 EFEDMP C=CCCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523904 478067316 /nfs/dbraw/zinc/06/73/16/478067316.db2.gz BFMUQFRXYSLRKF-HXUWFJFHSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523904 478067317 /nfs/dbraw/zinc/06/73/17/478067317.db2.gz BFMUQFRXYSLRKF-HXUWFJFHSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523904 478067318 /nfs/dbraw/zinc/06/73/18/478067318.db2.gz BFMUQFRXYSLRKF-HXUWFJFHSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523904 478067319 /nfs/dbraw/zinc/06/73/19/478067319.db2.gz BFMUQFRXYSLRKF-HXUWFJFHSA-N 2 1 335.536 2.999 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000560693618 478124666 /nfs/dbraw/zinc/12/46/66/478124666.db2.gz DRADEJFBEVZJRN-IBGZPJMESA-N 2 1 332.536 2.951 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000517922095 478132268 /nfs/dbraw/zinc/13/22/68/478132268.db2.gz DURWOKSDRYRLHD-KRWDZBQOSA-N 2 1 338.879 2.710 20 30 EFEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536663815 478268146 /nfs/dbraw/zinc/26/81/46/478268146.db2.gz WVELAOQSTPHJQV-FQEVSTJZSA-N 2 1 343.515 2.852 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594453947 478397094 /nfs/dbraw/zinc/39/70/94/478397094.db2.gz PNSYGPKVESZYOF-PKOBYXMFSA-N 2 1 348.535 2.901 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594501445 478413287 /nfs/dbraw/zinc/41/32/87/478413287.db2.gz WKBAMAAILYUUOQ-AZUAARDMSA-N 2 1 325.456 2.779 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000582057562 478500211 /nfs/dbraw/zinc/50/02/11/478500211.db2.gz SYBNVAODKWKYDI-MRXNPFEDSA-N 2 1 342.405 2.849 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496823976 478698331 /nfs/dbraw/zinc/69/83/31/478698331.db2.gz XGXUZKBVLQCSPR-UHFFFAOYSA-N 2 1 337.508 2.921 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000592290892 478854587 /nfs/dbraw/zinc/85/45/87/478854587.db2.gz ITPFKSLJLGOCNY-UHFFFAOYSA-N 3 1 331.504 2.757 20 30 EFEDMP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595905 478917810 /nfs/dbraw/zinc/91/78/10/478917810.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595905 478917820 /nfs/dbraw/zinc/91/78/20/478917820.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595905 478917828 /nfs/dbraw/zinc/91/78/28/478917828.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 2 1 329.488 2.741 20 30 EFEDMP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595906 478918774 /nfs/dbraw/zinc/91/87/74/478918774.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595906 478918782 /nfs/dbraw/zinc/91/87/82/478918782.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595906 478918788 /nfs/dbraw/zinc/91/87/88/478918788.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 2 1 329.488 2.741 20 30 EFEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599262 478920107 /nfs/dbraw/zinc/92/01/07/478920107.db2.gz IOJRLMDLCTXXCB-IBGZPJMESA-N 2 1 344.503 2.921 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598606967 478922979 /nfs/dbraw/zinc/92/29/79/478922979.db2.gz HBSIKBDGRUMLCY-NZSAHSFTSA-N 2 1 329.488 2.787 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000598718727 478989461 /nfs/dbraw/zinc/98/94/61/478989461.db2.gz CWFXEMZNLDVJQA-HOTGVXAUSA-N 2 1 335.517 2.850 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000598718727 478989472 /nfs/dbraw/zinc/98/94/72/478989472.db2.gz CWFXEMZNLDVJQA-HOTGVXAUSA-N 2 1 335.517 2.850 20 30 EFEDMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994839 479119392 /nfs/dbraw/zinc/11/93/92/479119392.db2.gz UDFAERSAJNYQJG-SFHVURJKSA-N 2 1 326.488 2.849 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000611337581 479350813 /nfs/dbraw/zinc/35/08/13/479350813.db2.gz OUAAEMDLVOBQGH-CCGTUFIJSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000611337581 479350816 /nfs/dbraw/zinc/35/08/16/479350816.db2.gz OUAAEMDLVOBQGH-CCGTUFIJSA-N 2 1 328.460 2.716 20 30 EFEDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392118 479365406 /nfs/dbraw/zinc/36/54/06/479365406.db2.gz LZUZVIYGSJRPAW-OAQYLSRUSA-N 2 1 340.515 2.799 20 30 EFEDMP C[C@H](CCC#N)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000602508246 479373172 /nfs/dbraw/zinc/37/31/72/479373172.db2.gz LJVYQVFPWJSNPU-UYAOXDASSA-N 2 1 328.504 2.895 20 30 EFEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662052 479376740 /nfs/dbraw/zinc/37/67/40/479376740.db2.gz XKPVHOAYWAZYQX-KRWDZBQOSA-N 2 1 344.503 2.578 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517223 479398391 /nfs/dbraw/zinc/39/83/91/479398391.db2.gz JHSXRBHQGBWDDQ-HXUWFJFHSA-N 2 1 330.472 2.984 20 30 EFEDMP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425530 /nfs/dbraw/zinc/42/55/30/479425530.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425532 /nfs/dbraw/zinc/42/55/32/479425532.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425537 /nfs/dbraw/zinc/42/55/37/479425537.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425768 /nfs/dbraw/zinc/42/57/68/479425768.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425772 /nfs/dbraw/zinc/42/57/72/479425772.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425775 /nfs/dbraw/zinc/42/57/75/479425775.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP C[C@@H](CCC#N)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665645 479459904 /nfs/dbraw/zinc/45/99/04/479459904.db2.gz WNTAIQUQIIKZQJ-PZJWPPBQSA-N 2 1 340.515 2.818 20 30 EFEDMP C[C@H](CCC#N)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665639 479461168 /nfs/dbraw/zinc/46/11/68/479461168.db2.gz WNTAIQUQIIKZQJ-CTNGQTDRSA-N 2 1 340.515 2.818 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000575923494 479503170 /nfs/dbraw/zinc/50/31/70/479503170.db2.gz RMZNAQLXDYCDQQ-FUHWJXTLSA-N 2 1 340.475 2.591 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000575923496 479503573 /nfs/dbraw/zinc/50/35/73/479503573.db2.gz RMZNAQLXDYCDQQ-WMZOPIPTSA-N 2 1 340.475 2.591 20 30 EFEDMP N#CCC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831345 479582159 /nfs/dbraw/zinc/58/21/59/479582159.db2.gz NTHBLGBAQOYXAR-HXUWFJFHSA-N 2 1 338.499 2.572 20 30 EFEDMP N#CCC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831345 479582173 /nfs/dbraw/zinc/58/21/73/479582173.db2.gz NTHBLGBAQOYXAR-HXUWFJFHSA-N 2 1 338.499 2.572 20 30 EFEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615776572 479752997 /nfs/dbraw/zinc/75/29/97/479752997.db2.gz GYSGFMDMILZYQM-KRWDZBQOSA-N 2 1 346.519 2.525 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000644532012 480422025 /nfs/dbraw/zinc/42/20/25/480422025.db2.gz QQYJHAPOZKBXSZ-ICSRJNTNSA-N 2 1 346.515 2.865 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705492 481272913 /nfs/dbraw/zinc/27/29/13/481272913.db2.gz JKJXGEJGHBQLPJ-CMKODMSKSA-N 2 1 330.472 2.970 20 30 EFEDMP C=CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239021 482386568 /nfs/dbraw/zinc/38/65/68/482386568.db2.gz BUVQQFPSVZIIBH-UYAOXDASSA-N 2 1 332.488 2.800 20 30 EFEDMP C=CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239021 482386570 /nfs/dbraw/zinc/38/65/70/482386570.db2.gz BUVQQFPSVZIIBH-UYAOXDASSA-N 2 1 332.488 2.800 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000170906360 534075245 /nfs/dbraw/zinc/07/52/45/534075245.db2.gz AUZOYOKHVXZABT-MRXNPFEDSA-N 2 1 342.443 2.530 20 30 EFEDMP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c(C#N)c1C ZINC000130430250 534549091 /nfs/dbraw/zinc/54/90/91/534549091.db2.gz LDWFOIVYCRMXKQ-CYBMUJFWSA-N 2 1 343.431 2.622 20 30 EFEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c(C#N)c1C ZINC000130430250 534549097 /nfs/dbraw/zinc/54/90/97/534549097.db2.gz LDWFOIVYCRMXKQ-CYBMUJFWSA-N 2 1 343.431 2.622 20 30 EFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516168 521490890 /nfs/dbraw/zinc/49/08/90/521490890.db2.gz JMSLXYDONYRWAM-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516168 521490899 /nfs/dbraw/zinc/49/08/99/521490899.db2.gz JMSLXYDONYRWAM-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516168 521490907 /nfs/dbraw/zinc/49/09/07/521490907.db2.gz JMSLXYDONYRWAM-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000157476146 521563000 /nfs/dbraw/zinc/56/30/00/521563000.db2.gz UDRSSWWLLBPARO-UHFFFAOYSA-N 2 1 348.878 2.956 20 30 EFEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000157476146 521563005 /nfs/dbraw/zinc/56/30/05/521563005.db2.gz UDRSSWWLLBPARO-UHFFFAOYSA-N 2 1 348.878 2.956 20 30 EFEDMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000119871204 523692845 /nfs/dbraw/zinc/69/28/45/523692845.db2.gz CRBGVHBOAFXFCN-UHFFFAOYSA-N 2 1 326.444 2.992 20 30 EFEDMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000119871204 523692853 /nfs/dbraw/zinc/69/28/53/523692853.db2.gz CRBGVHBOAFXFCN-UHFFFAOYSA-N 2 1 326.444 2.992 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176645550 526371451 /nfs/dbraw/zinc/37/14/51/526371451.db2.gz WHDANPRKEFUCNJ-IRXDYDNUSA-N 2 1 346.544 2.628 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154476621 527114771 /nfs/dbraw/zinc/11/47/71/527114771.db2.gz STPWYIRFUQYRGH-LJQANCHMSA-N 2 1 343.515 2.767 20 30 EFEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccccc2OC)c1 ZINC000170910142 527840379 /nfs/dbraw/zinc/84/03/79/527840379.db2.gz FXRSEPJSSZYQOU-UHFFFAOYSA-N 2 1 340.471 2.751 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(OC)c1 ZINC000170909176 528234136 /nfs/dbraw/zinc/23/41/36/528234136.db2.gz FDZILVNQAQEURE-KRWDZBQOSA-N 2 1 341.459 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540388 1252062777 /nfs/dbraw/zinc/06/27/77/1252062777.db2.gz UYRHDVPMLZTHPL-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540388 1252062782 /nfs/dbraw/zinc/06/27/82/1252062782.db2.gz UYRHDVPMLZTHPL-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688120 1252192745 /nfs/dbraw/zinc/19/27/45/1252192745.db2.gz QPCVKVNKIPTGHG-INIZCTEOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688120 1252192751 /nfs/dbraw/zinc/19/27/51/1252192751.db2.gz QPCVKVNKIPTGHG-INIZCTEOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996186717 1255062615 /nfs/dbraw/zinc/06/26/15/1255062615.db2.gz AXJUUEWHRLTHSN-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996186730 1255062747 /nfs/dbraw/zinc/06/27/47/1255062747.db2.gz AXJUUEWHRLTHSN-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676814 1255726590 /nfs/dbraw/zinc/72/65/90/1255726590.db2.gz PQYMKCNFNOHYGN-QZTJIDSGSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472788 1255922353 /nfs/dbraw/zinc/92/23/53/1255922353.db2.gz JGROXJSHNUDYSO-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472788 1255922359 /nfs/dbraw/zinc/92/23/59/1255922359.db2.gz JGROXJSHNUDYSO-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001107481364 1255934619 /nfs/dbraw/zinc/93/46/19/1255934619.db2.gz VTSHMWOJOFFAHW-YLJYHZDGSA-N 2 1 344.503 2.680 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485110 1255952766 /nfs/dbraw/zinc/95/27/66/1255952766.db2.gz KDEGPTRIBQAOFE-SVFBPWRDSA-N 2 1 345.531 2.798 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488739 1255984832 /nfs/dbraw/zinc/98/48/32/1255984832.db2.gz VSMDAUJWBFAPRO-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198333 /nfs/dbraw/zinc/19/83/33/1256198333.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198348 /nfs/dbraw/zinc/19/83/48/1256198348.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198356 /nfs/dbraw/zinc/19/83/56/1256198356.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609263 1256288353 /nfs/dbraw/zinc/28/83/53/1256288353.db2.gz LNLMIFLOIQTYTL-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609263 1256288360 /nfs/dbraw/zinc/28/83/60/1256288360.db2.gz LNLMIFLOIQTYTL-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609263 1256288367 /nfs/dbraw/zinc/28/83/67/1256288367.db2.gz LNLMIFLOIQTYTL-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614182 1256299105 /nfs/dbraw/zinc/29/91/05/1256299105.db2.gz WCNFXUJOFBTRLU-SJLPKXTDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997080631 1256798014 /nfs/dbraw/zinc/79/80/14/1256798014.db2.gz WBHDGYKZJLWBKH-NVXWUHKLSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997080631 1256798020 /nfs/dbraw/zinc/79/80/20/1256798020.db2.gz WBHDGYKZJLWBKH-NVXWUHKLSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835115 1256820535 /nfs/dbraw/zinc/82/05/35/1256820535.db2.gz KFQNNFNCUQPYGT-BJLQDIEVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835115 1256820549 /nfs/dbraw/zinc/82/05/49/1256820549.db2.gz KFQNNFNCUQPYGT-BJLQDIEVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835115 1256820561 /nfs/dbraw/zinc/82/05/61/1256820561.db2.gz KFQNNFNCUQPYGT-BJLQDIEVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413080 1257198511 /nfs/dbraw/zinc/19/85/11/1257198511.db2.gz BACWMFCQOKPHOA-ULQDDVLXSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413080 1257198517 /nfs/dbraw/zinc/19/85/17/1257198517.db2.gz BACWMFCQOKPHOA-ULQDDVLXSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997368854 1257471790 /nfs/dbraw/zinc/47/17/90/1257471790.db2.gz LZDUSXUPFPXUQN-QGZVFWFLSA-N 2 1 335.879 2.622 20 30 EFEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997387893 1257562360 /nfs/dbraw/zinc/56/23/60/1257562360.db2.gz QWKJZHCKTIDRFS-UYAOXDASSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677643 1258218658 /nfs/dbraw/zinc/21/86/58/1258218658.db2.gz UEBOLRVYJDMKNY-AWEZNQCLSA-N 2 1 346.862 2.917 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997748919 1258350975 /nfs/dbraw/zinc/35/09/75/1258350975.db2.gz RHVAKYCYHUFSTM-MAUKXSAKSA-N 2 1 344.503 2.547 20 30 EFEDMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168595187 1258364596 /nfs/dbraw/zinc/36/45/96/1258364596.db2.gz GMHKIOKSBQSYHO-UHFFFAOYSA-N 2 1 343.515 2.646 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006673 1258937488 /nfs/dbraw/zinc/93/74/88/1258937488.db2.gz LTTYMORXGRNPGH-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643004 1258954299 /nfs/dbraw/zinc/95/42/99/1258954299.db2.gz QBVJIMIDVZLTNT-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020326 1258971611 /nfs/dbraw/zinc/97/16/11/1258971611.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020326 1258971616 /nfs/dbraw/zinc/97/16/16/1258971616.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020326 1258971620 /nfs/dbraw/zinc/97/16/20/1258971620.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000998054628 1259030593 /nfs/dbraw/zinc/03/05/93/1259030593.db2.gz XUVUNNMSXVDFII-QGZVFWFLSA-N 2 1 338.455 2.593 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998064350 1259056677 /nfs/dbraw/zinc/05/66/77/1259056677.db2.gz RQXISLCDJPWMRB-SFHVURJKSA-N 2 1 338.455 2.674 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102195 1259113190 /nfs/dbraw/zinc/11/31/90/1259113190.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102195 1259113194 /nfs/dbraw/zinc/11/31/94/1259113194.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102195 1259113197 /nfs/dbraw/zinc/11/31/97/1259113197.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998178103 1259198568 /nfs/dbraw/zinc/19/85/68/1259198568.db2.gz ZEMFDRWPFFWACQ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998178105 1259198874 /nfs/dbraw/zinc/19/88/74/1259198874.db2.gz ZEMFDRWPFFWACQ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998927072 1260089121 /nfs/dbraw/zinc/08/91/21/1260089121.db2.gz BBUSJUAXWNBQMD-MHJFOBGBSA-N 2 1 343.515 2.554 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998927072 1260089130 /nfs/dbraw/zinc/08/91/30/1260089130.db2.gz BBUSJUAXWNBQMD-MHJFOBGBSA-N 2 1 343.515 2.554 20 30 EFEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999292841 1260493716 /nfs/dbraw/zinc/49/37/16/1260493716.db2.gz GUHNICDUHYRHSQ-NKELODKYSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722260 1261207682 /nfs/dbraw/zinc/20/76/82/1261207682.db2.gz JQZJHRSYKMWSER-LJQANCHMSA-N 2 1 330.472 2.842 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902616 1261670882 /nfs/dbraw/zinc/67/08/82/1261670882.db2.gz RKTHJPTZGAPIGF-FGYAAKKASA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902616 1261670892 /nfs/dbraw/zinc/67/08/92/1261670892.db2.gz RKTHJPTZGAPIGF-FGYAAKKASA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902616 1261670899 /nfs/dbraw/zinc/67/08/99/1261670899.db2.gz RKTHJPTZGAPIGF-FGYAAKKASA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902618 1261673300 /nfs/dbraw/zinc/67/33/00/1261673300.db2.gz RKTHJPTZGAPIGF-WTGUMLROSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006085731 1261677070 /nfs/dbraw/zinc/67/70/70/1261677070.db2.gz YWKBNUAINUOFBH-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006085731 1261677079 /nfs/dbraw/zinc/67/70/79/1261677079.db2.gz YWKBNUAINUOFBH-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)C ZINC001032803298 1261844716 /nfs/dbraw/zinc/84/47/16/1261844716.db2.gz PRFAPKDTSMMMSV-FHWLQOOXSA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803298 1261844723 /nfs/dbraw/zinc/84/47/23/1261844723.db2.gz PRFAPKDTSMMMSV-FHWLQOOXSA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739860 1262285401 /nfs/dbraw/zinc/28/54/01/1262285401.db2.gz RSUHPYANYDPBIU-HZPDHXFCSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599014 1264063574 /nfs/dbraw/zinc/06/35/74/1264063574.db2.gz NBGCCZFVKJBLKP-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599014 1264063580 /nfs/dbraw/zinc/06/35/80/1264063580.db2.gz NBGCCZFVKJBLKP-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599014 1264063585 /nfs/dbraw/zinc/06/35/85/1264063585.db2.gz NBGCCZFVKJBLKP-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002816340 1264123183 /nfs/dbraw/zinc/12/31/83/1264123183.db2.gz WUJBKVXSJDAWSX-UHFFFAOYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701888 1264245709 /nfs/dbraw/zinc/24/57/09/1264245709.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701888 1264245714 /nfs/dbraw/zinc/24/57/14/1264245714.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701888 1264245722 /nfs/dbraw/zinc/24/57/22/1264245722.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853540 1264540944 /nfs/dbraw/zinc/54/09/44/1264540944.db2.gz XWNNQIPDFLXWJJ-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941236 1264716244 /nfs/dbraw/zinc/71/62/44/1264716244.db2.gz WMFFREVVGYZGCG-HBFSDRIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003372444 1264720710 /nfs/dbraw/zinc/72/07/10/1264720710.db2.gz KIKORLQMJYNSAM-UHFFFAOYSA-N 2 1 349.906 2.737 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958197 1264763838 /nfs/dbraw/zinc/76/38/38/1264763838.db2.gz PXPBMEJMLXUZLK-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958197 1264763845 /nfs/dbraw/zinc/76/38/45/1264763845.db2.gz PXPBMEJMLXUZLK-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958197 1264763852 /nfs/dbraw/zinc/76/38/52/1264763852.db2.gz PXPBMEJMLXUZLK-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958059 1264764355 /nfs/dbraw/zinc/76/43/55/1264764355.db2.gz JOMYHVUIOXLYDU-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958059 1264764358 /nfs/dbraw/zinc/76/43/58/1264764358.db2.gz JOMYHVUIOXLYDU-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958059 1264764361 /nfs/dbraw/zinc/76/43/61/1264764361.db2.gz JOMYHVUIOXLYDU-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958088 1264764783 /nfs/dbraw/zinc/76/47/83/1264764783.db2.gz KUQDOIRRTPQTIN-KURKYZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958088 1264764787 /nfs/dbraw/zinc/76/47/87/1264764787.db2.gz KUQDOIRRTPQTIN-KURKYZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072497 1265077269 /nfs/dbraw/zinc/07/72/69/1265077269.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072497 1265077279 /nfs/dbraw/zinc/07/72/79/1265077279.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072497 1265077287 /nfs/dbraw/zinc/07/72/87/1265077287.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072498 1265077338 /nfs/dbraw/zinc/07/73/38/1265077338.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072498 1265077351 /nfs/dbraw/zinc/07/73/51/1265077351.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072498 1265077359 /nfs/dbraw/zinc/07/73/59/1265077359.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735936 1265111547 /nfs/dbraw/zinc/11/15/47/1265111547.db2.gz NJYZWRNYPIOEOX-HNNXBMFYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080887 1266445631 /nfs/dbraw/zinc/44/56/31/1266445631.db2.gz DYHWMYAWVJFVKG-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033080887 1266445633 /nfs/dbraw/zinc/44/56/33/1266445633.db2.gz DYHWMYAWVJFVKG-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033080887 1266445639 /nfs/dbraw/zinc/44/56/39/1266445639.db2.gz DYHWMYAWVJFVKG-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592333 1266602609 /nfs/dbraw/zinc/60/26/09/1266602609.db2.gz HZAKQZSLKQFKIU-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592333 1266602615 /nfs/dbraw/zinc/60/26/15/1266602615.db2.gz HZAKQZSLKQFKIU-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592333 1266602621 /nfs/dbraw/zinc/60/26/21/1266602621.db2.gz HZAKQZSLKQFKIU-YRPNKDGESA-N 2 1 345.531 2.607 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429746 1266988614 /nfs/dbraw/zinc/98/86/14/1266988614.db2.gz OOEYOEAYIMZGNS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004429746 1266988623 /nfs/dbraw/zinc/98/86/23/1266988623.db2.gz OOEYOEAYIMZGNS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004429746 1266988628 /nfs/dbraw/zinc/98/86/28/1266988628.db2.gz OOEYOEAYIMZGNS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004441333 1267006567 /nfs/dbraw/zinc/00/65/67/1267006567.db2.gz IBFUFFQFBSPOQK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441333 1267006579 /nfs/dbraw/zinc/00/65/79/1267006579.db2.gz IBFUFFQFBSPOQK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441333 1267006584 /nfs/dbraw/zinc/00/65/84/1267006584.db2.gz IBFUFFQFBSPOQK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444918 1267015751 /nfs/dbraw/zinc/01/57/51/1267015751.db2.gz CENQQWCKWBDFNO-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444918 1267015759 /nfs/dbraw/zinc/01/57/59/1267015759.db2.gz CENQQWCKWBDFNO-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444918 1267015770 /nfs/dbraw/zinc/01/57/70/1267015770.db2.gz CENQQWCKWBDFNO-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCC)CC1 ZINC001004456829 1267084804 /nfs/dbraw/zinc/08/48/04/1267084804.db2.gz ILJQMDQWTHQEEA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCC)CC1 ZINC001004456829 1267084813 /nfs/dbraw/zinc/08/48/13/1267084813.db2.gz ILJQMDQWTHQEEA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCC)CC1 ZINC001004456829 1267084824 /nfs/dbraw/zinc/08/48/24/1267084824.db2.gz ILJQMDQWTHQEEA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCC)CC1 ZINC001004456829 1267084834 /nfs/dbraw/zinc/08/48/34/1267084834.db2.gz ILJQMDQWTHQEEA-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004456365 1267085871 /nfs/dbraw/zinc/08/58/71/1267085871.db2.gz FDMVDXGTIGGERJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456365 1267085880 /nfs/dbraw/zinc/08/58/80/1267085880.db2.gz FDMVDXGTIGGERJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456365 1267085891 /nfs/dbraw/zinc/08/58/91/1267085891.db2.gz FDMVDXGTIGGERJ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004459432 1267097769 /nfs/dbraw/zinc/09/77/69/1267097769.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459432 1267097779 /nfs/dbraw/zinc/09/77/79/1267097779.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459432 1267097790 /nfs/dbraw/zinc/09/77/90/1267097790.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004465280 1267105785 /nfs/dbraw/zinc/10/57/85/1267105785.db2.gz RJWLVSHZTZMRKF-OALUTQOASA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472175 1267119196 /nfs/dbraw/zinc/11/91/96/1267119196.db2.gz DMLXAMSQOMPBPM-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472175 1267119201 /nfs/dbraw/zinc/11/92/01/1267119201.db2.gz DMLXAMSQOMPBPM-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472175 1267119206 /nfs/dbraw/zinc/11/92/06/1267119206.db2.gz DMLXAMSQOMPBPM-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004540101 1267283479 /nfs/dbraw/zinc/28/34/79/1267283479.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004540101 1267283485 /nfs/dbraw/zinc/28/34/85/1267283485.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004540101 1267283496 /nfs/dbraw/zinc/28/34/96/1267283496.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570383 1267305673 /nfs/dbraw/zinc/30/56/73/1267305673.db2.gz RWSKJOCIALVXTL-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570387 1267307374 /nfs/dbraw/zinc/30/73/74/1267307374.db2.gz RWSKJOCIALVXTL-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001004572089 1267310300 /nfs/dbraw/zinc/31/03/00/1267310300.db2.gz ZCYVKATVNSXOPU-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572089 1267310312 /nfs/dbraw/zinc/31/03/12/1267310312.db2.gz ZCYVKATVNSXOPU-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572089 1267310320 /nfs/dbraw/zinc/31/03/20/1267310320.db2.gz ZCYVKATVNSXOPU-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595428 1267361427 /nfs/dbraw/zinc/36/14/27/1267361427.db2.gz HCROAUGUCKDRQK-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595428 1267361439 /nfs/dbraw/zinc/36/14/39/1267361439.db2.gz HCROAUGUCKDRQK-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595428 1267361450 /nfs/dbraw/zinc/36/14/50/1267361450.db2.gz HCROAUGUCKDRQK-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595368 1267362079 /nfs/dbraw/zinc/36/20/79/1267362079.db2.gz GCHAAKCEKDNAHN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595368 1267362091 /nfs/dbraw/zinc/36/20/91/1267362091.db2.gz GCHAAKCEKDNAHN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595368 1267362101 /nfs/dbraw/zinc/36/21/01/1267362101.db2.gz GCHAAKCEKDNAHN-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595165 1267362267 /nfs/dbraw/zinc/36/22/67/1267362267.db2.gz FWLPBFSWDODZIN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595165 1267362277 /nfs/dbraw/zinc/36/22/77/1267362277.db2.gz FWLPBFSWDODZIN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595165 1267362290 /nfs/dbraw/zinc/36/22/90/1267362290.db2.gz FWLPBFSWDODZIN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608015 1267394539 /nfs/dbraw/zinc/39/45/39/1267394539.db2.gz XHECDUAWIMWITG-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148086 1267398667 /nfs/dbraw/zinc/39/86/67/1267398667.db2.gz BOICOQDJZVKPIT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033148086 1267398678 /nfs/dbraw/zinc/39/86/78/1267398678.db2.gz BOICOQDJZVKPIT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033148086 1267398690 /nfs/dbraw/zinc/39/86/90/1267398690.db2.gz BOICOQDJZVKPIT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004618526 1267413185 /nfs/dbraw/zinc/41/31/85/1267413185.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004618526 1267413190 /nfs/dbraw/zinc/41/31/90/1267413190.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004618526 1267413194 /nfs/dbraw/zinc/41/31/94/1267413194.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619004 1267413384 /nfs/dbraw/zinc/41/33/84/1267413384.db2.gz JBTJXJMBDMFSDQ-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619889 1267413893 /nfs/dbraw/zinc/41/38/93/1267413893.db2.gz NGSGTGRUVWQKOC-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619889 1267413899 /nfs/dbraw/zinc/41/38/99/1267413899.db2.gz NGSGTGRUVWQKOC-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001086602850 1278344611 /nfs/dbraw/zinc/34/46/11/1278344611.db2.gz WPVRHULAOKTQIJ-RBUKOAKNSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728298 1267804171 /nfs/dbraw/zinc/80/41/71/1267804171.db2.gz DIRMMTQFRRZOCI-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728298 1267804176 /nfs/dbraw/zinc/80/41/76/1267804176.db2.gz DIRMMTQFRRZOCI-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728298 1267804195 /nfs/dbraw/zinc/80/41/95/1267804195.db2.gz DIRMMTQFRRZOCI-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598711 1267964681 /nfs/dbraw/zinc/96/46/81/1267964681.db2.gz YLQQVQVQQROHLS-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598711 1267964689 /nfs/dbraw/zinc/96/46/89/1267964689.db2.gz YLQQVQVQQROHLS-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598711 1267964698 /nfs/dbraw/zinc/96/46/98/1267964698.db2.gz YLQQVQVQQROHLS-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085648118 1268133422 /nfs/dbraw/zinc/13/34/22/1268133422.db2.gz DFTGCKWFMLDPDT-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085648118 1268133426 /nfs/dbraw/zinc/13/34/26/1268133426.db2.gz DFTGCKWFMLDPDT-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085648118 1268133429 /nfs/dbraw/zinc/13/34/29/1268133429.db2.gz DFTGCKWFMLDPDT-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085648118 1268133433 /nfs/dbraw/zinc/13/34/33/1268133433.db2.gz DFTGCKWFMLDPDT-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781749 1268502987 /nfs/dbraw/zinc/50/29/87/1268502987.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781749 1268502995 /nfs/dbraw/zinc/50/29/95/1268502995.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781749 1268503001 /nfs/dbraw/zinc/50/30/01/1268503001.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820411 1268655069 /nfs/dbraw/zinc/65/50/69/1268655069.db2.gz ZHCYVHMHPSLTRK-HXUWFJFHSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819895 1268656065 /nfs/dbraw/zinc/65/60/65/1268656065.db2.gz LAJQLMCBWSWMNP-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800783 1268723358 /nfs/dbraw/zinc/72/33/58/1268723358.db2.gz KPJAYZSRSZIQHU-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800783 1268723361 /nfs/dbraw/zinc/72/33/61/1268723361.db2.gz KPJAYZSRSZIQHU-HDICACEKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803623 1268738092 /nfs/dbraw/zinc/73/80/92/1268738092.db2.gz OFIXZCXMXHIQOD-OKZBNKHCSA-N 2 1 330.476 2.581 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803849 1268740406 /nfs/dbraw/zinc/74/04/06/1268740406.db2.gz YJRLAGZDWFVDJY-OKZBNKHCSA-N 2 1 330.476 2.581 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507340 1269280353 /nfs/dbraw/zinc/28/03/53/1269280353.db2.gz FKBOKVBGEVKYSJ-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986434 1269398045 /nfs/dbraw/zinc/39/80/45/1269398045.db2.gz DMUBMOBRFKJHFZ-SFHVURJKSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994241 1269448698 /nfs/dbraw/zinc/44/86/98/1269448698.db2.gz GMJOHZQOMMWQLN-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001410846009 1269793268 /nfs/dbraw/zinc/79/32/68/1269793268.db2.gz DRNCSWBJNTWQLI-JKSUJKDBSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034015271 1270834992 /nfs/dbraw/zinc/83/49/92/1270834992.db2.gz HFBLLJNJWMENFK-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249621 1271424124 /nfs/dbraw/zinc/42/41/24/1271424124.db2.gz LZTBIWQXNIZWEN-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249621 1271424126 /nfs/dbraw/zinc/42/41/26/1271424126.db2.gz LZTBIWQXNIZWEN-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249621 1271424134 /nfs/dbraw/zinc/42/41/34/1271424134.db2.gz LZTBIWQXNIZWEN-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250517 1271425505 /nfs/dbraw/zinc/42/55/05/1271425505.db2.gz RIUXNSPWFMXQLR-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250517 1271425507 /nfs/dbraw/zinc/42/55/07/1271425507.db2.gz RIUXNSPWFMXQLR-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034237662 1271434054 /nfs/dbraw/zinc/43/40/54/1271434054.db2.gz AOANGUBDAZSLTD-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237662 1271434058 /nfs/dbraw/zinc/43/40/58/1271434058.db2.gz AOANGUBDAZSLTD-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237662 1271434062 /nfs/dbraw/zinc/43/40/62/1271434062.db2.gz AOANGUBDAZSLTD-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366642 1271787564 /nfs/dbraw/zinc/78/75/64/1271787564.db2.gz BZKVCJGBRKOVEN-ICSRJNTNSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398664 1271894422 /nfs/dbraw/zinc/89/44/22/1271894422.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398664 1271894433 /nfs/dbraw/zinc/89/44/33/1271894433.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398664 1271894444 /nfs/dbraw/zinc/89/44/44/1271894444.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445500 1271974390 /nfs/dbraw/zinc/97/43/90/1271974390.db2.gz URCQXJNSDZFDKZ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287242 1272092032 /nfs/dbraw/zinc/09/20/32/1272092032.db2.gz OKZMZGSSORGVGU-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545092 1272261649 /nfs/dbraw/zinc/26/16/49/1272261649.db2.gz ORQQGNPCYPZPHI-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034661204 1272467945 /nfs/dbraw/zinc/46/79/45/1272467945.db2.gz LCLINMWRYRQMQK-BRWVUGGUSA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005580327 1272491564 /nfs/dbraw/zinc/49/15/64/1272491564.db2.gz LGVCGSZAVJVWRE-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421708 1272538501 /nfs/dbraw/zinc/53/85/01/1272538501.db2.gz TTWYHSUYUODDBH-LJQANCHMSA-N 2 1 341.540 2.504 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421708 1272538510 /nfs/dbraw/zinc/53/85/10/1272538510.db2.gz TTWYHSUYUODDBH-LJQANCHMSA-N 2 1 341.540 2.504 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034685037 1272592146 /nfs/dbraw/zinc/59/21/46/1272592146.db2.gz UEPWJGBFLSOGHW-BRWVUGGUSA-N 2 1 341.927 2.876 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133885 1272695477 /nfs/dbraw/zinc/69/54/77/1272695477.db2.gz MLYALJTXBLKTDA-LJDSDSDDSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133885 1272695480 /nfs/dbraw/zinc/69/54/80/1272695480.db2.gz MLYALJTXBLKTDA-LJDSDSDDSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133885 1272695487 /nfs/dbraw/zinc/69/54/87/1272695487.db2.gz MLYALJTXBLKTDA-LJDSDSDDSA-N 2 1 334.504 2.685 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001169111946 1272703422 /nfs/dbraw/zinc/70/34/22/1272703422.db2.gz RJUPZZIFQFTTEJ-WKCHPHFGSA-N 2 1 338.499 2.737 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754320 1272832564 /nfs/dbraw/zinc/83/25/64/1272832564.db2.gz ZPAWUPUZXWCJPI-VQHPVUNQSA-N 2 1 339.911 2.773 20 30 EFEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734090 1273412571 /nfs/dbraw/zinc/41/25/71/1273412571.db2.gz NIQTVIPHZDWXOR-LNLFQRSKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184682 1273752892 /nfs/dbraw/zinc/75/28/92/1273752892.db2.gz HFLRBUFOGJQBKJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184682 1273752896 /nfs/dbraw/zinc/75/28/96/1273752896.db2.gz HFLRBUFOGJQBKJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184682 1273752901 /nfs/dbraw/zinc/75/29/01/1273752901.db2.gz HFLRBUFOGJQBKJ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185456 1273754692 /nfs/dbraw/zinc/75/46/92/1273754692.db2.gz WHCGMSHCFNUCOI-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185456 1273754696 /nfs/dbraw/zinc/75/46/96/1273754696.db2.gz WHCGMSHCFNUCOI-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185456 1273754703 /nfs/dbraw/zinc/75/47/03/1273754703.db2.gz WHCGMSHCFNUCOI-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035201270 1273771739 /nfs/dbraw/zinc/77/17/39/1273771739.db2.gz TVIFDPVNEKOJIQ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035201270 1273771745 /nfs/dbraw/zinc/77/17/45/1273771745.db2.gz TVIFDPVNEKOJIQ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035201270 1273771754 /nfs/dbraw/zinc/77/17/54/1273771754.db2.gz TVIFDPVNEKOJIQ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223668 1273837981 /nfs/dbraw/zinc/83/79/81/1273837981.db2.gz UXXBSTZPJXJQNK-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035227418 1273848597 /nfs/dbraw/zinc/84/85/97/1273848597.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227418 1273848608 /nfs/dbraw/zinc/84/86/08/1273848608.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227418 1273848617 /nfs/dbraw/zinc/84/86/17/1273848617.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216199 1273877595 /nfs/dbraw/zinc/87/75/95/1273877595.db2.gz VNRJVYFOGGKXMQ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216199 1273877600 /nfs/dbraw/zinc/87/76/00/1273877600.db2.gz VNRJVYFOGGKXMQ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216199 1273877605 /nfs/dbraw/zinc/87/76/05/1273877605.db2.gz VNRJVYFOGGKXMQ-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237014 1273898672 /nfs/dbraw/zinc/89/86/72/1273898672.db2.gz ICZBVXBCWMGFBO-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237014 1273898690 /nfs/dbraw/zinc/89/86/90/1273898690.db2.gz ICZBVXBCWMGFBO-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237014 1273898700 /nfs/dbraw/zinc/89/87/00/1273898700.db2.gz ICZBVXBCWMGFBO-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244573 1273916749 /nfs/dbraw/zinc/91/67/49/1273916749.db2.gz QEHBIMFUQAJAHK-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244571 1273916938 /nfs/dbraw/zinc/91/69/38/1273916938.db2.gz QEHBIMFUQAJAHK-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260150 1273956198 /nfs/dbraw/zinc/95/61/98/1273956198.db2.gz PBYDXHPZGDXBCR-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991358 1274093961 /nfs/dbraw/zinc/09/39/61/1274093961.db2.gz NUWKAWJWZPOKNN-QZTJIDSGSA-N 2 1 341.540 2.552 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991358 1274093970 /nfs/dbraw/zinc/09/39/70/1274093970.db2.gz NUWKAWJWZPOKNN-QZTJIDSGSA-N 2 1 341.540 2.552 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294805 1274099563 /nfs/dbraw/zinc/09/95/63/1274099563.db2.gz TVKURWCXSXZLRY-ZRNYENFQSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707259 1274387473 /nfs/dbraw/zinc/38/74/73/1274387473.db2.gz OALUNYJBTJESDE-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527392 1274389596 /nfs/dbraw/zinc/38/95/96/1274389596.db2.gz QWYKBHCGUZZLSH-SQNIBIBYSA-N 2 1 332.492 2.883 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527392 1274389602 /nfs/dbraw/zinc/38/96/02/1274389602.db2.gz QWYKBHCGUZZLSH-SQNIBIBYSA-N 2 1 332.492 2.883 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560503 1274418715 /nfs/dbraw/zinc/41/87/15/1274418715.db2.gz DIYAYWBXQVVSIK-SQNIBIBYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773371 1274498612 /nfs/dbraw/zinc/49/86/12/1274498612.db2.gz XRRNKMXYCSGEIU-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814583 1274549127 /nfs/dbraw/zinc/54/91/27/1274549127.db2.gz PIGORXYKVQULMJ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814986 1274549322 /nfs/dbraw/zinc/54/93/22/1274549322.db2.gz XCAVTEXRQGYIOY-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838454 1274576547 /nfs/dbraw/zinc/57/65/47/1274576547.db2.gz YUPTWNVAUOKUAJ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C(C)C)C2 ZINC001109773468 1274615220 /nfs/dbraw/zinc/61/52/20/1274615220.db2.gz VZKOSJZOIBIUKN-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773468 1274615226 /nfs/dbraw/zinc/61/52/26/1274615226.db2.gz VZKOSJZOIBIUKN-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773468 1274615238 /nfs/dbraw/zinc/61/52/38/1274615238.db2.gz VZKOSJZOIBIUKN-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109969712 1274907884 /nfs/dbraw/zinc/90/78/84/1274907884.db2.gz WSVMSHZZZGFHGK-QYZOEREBSA-N 2 1 333.520 2.633 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974069 1276271415 /nfs/dbraw/zinc/27/14/15/1276271415.db2.gz HYRDLBWENSVQKN-IRXDYDNUSA-N 2 1 344.503 2.663 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165766 1276312527 /nfs/dbraw/zinc/31/25/27/1276312527.db2.gz NNGSTFSLJZCBED-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873288 1276564069 /nfs/dbraw/zinc/56/40/69/1276564069.db2.gz LZVVKUXSXCIYHL-HXUWFJFHSA-N 2 1 345.531 2.730 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016478 1276590408 /nfs/dbraw/zinc/59/04/08/1276590408.db2.gz ZQZOHYQIBHGWND-IRLDBZIGSA-N 2 1 349.478 2.746 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881176 1287234074 /nfs/dbraw/zinc/23/40/74/1287234074.db2.gz ISWVEFUYXBVRLE-MJGOQNOKSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174931017 1287236176 /nfs/dbraw/zinc/23/61/76/1287236176.db2.gz ZZENOAIQVJSQTM-NVXWUHKLSA-N 2 1 332.492 2.595 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946856825 1276747940 /nfs/dbraw/zinc/74/79/40/1276747940.db2.gz PTIBJFGYMJKJND-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856825 1276747949 /nfs/dbraw/zinc/74/79/49/1276747949.db2.gz PTIBJFGYMJKJND-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856825 1276747955 /nfs/dbraw/zinc/74/79/55/1276747955.db2.gz PTIBJFGYMJKJND-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146439 1277087155 /nfs/dbraw/zinc/08/71/55/1277087155.db2.gz ABNMFALVLYUZLP-IBGZPJMESA-N 2 1 335.536 2.975 20 30 EFEDMP C=CC[N@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)C(C)C ZINC000844688131 1279168723 /nfs/dbraw/zinc/16/87/23/1279168723.db2.gz DUVAZDUZPDKNDW-PMACEKPBSA-N 2 1 341.499 2.821 20 30 EFEDMP C=CC[N@@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)C(C)C ZINC000844688131 1279168729 /nfs/dbraw/zinc/16/87/29/1279168729.db2.gz DUVAZDUZPDKNDW-PMACEKPBSA-N 2 1 341.499 2.821 20 30 EFEDMP C=CC[NH+](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O)C(C)C ZINC000844688131 1279168737 /nfs/dbraw/zinc/16/87/37/1279168737.db2.gz DUVAZDUZPDKNDW-PMACEKPBSA-N 2 1 341.499 2.821 20 30 EFEDMP C=CC[NH+](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O)C(C)C ZINC000844688131 1279168744 /nfs/dbraw/zinc/16/87/44/1279168744.db2.gz DUVAZDUZPDKNDW-PMACEKPBSA-N 2 1 341.499 2.821 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609505 1279181811 /nfs/dbraw/zinc/18/18/11/1279181811.db2.gz KAIHTUUDBGWHCL-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609505 1279181817 /nfs/dbraw/zinc/18/18/17/1279181817.db2.gz KAIHTUUDBGWHCL-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609505 1279181822 /nfs/dbraw/zinc/18/18/22/1279181822.db2.gz KAIHTUUDBGWHCL-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2ccccn2)C1)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000792880300 1279233060 /nfs/dbraw/zinc/23/30/60/1279233060.db2.gz CVDBTABBCGOWHA-PMACEKPBSA-N 2 1 346.478 2.759 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175273847 1287369354 /nfs/dbraw/zinc/36/93/54/1287369354.db2.gz XTJPPAXJEIPJOK-HNNXBMFYSA-N 2 1 331.932 2.981 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001144569117 1279850908 /nfs/dbraw/zinc/85/09/08/1279850908.db2.gz KHVKEICMQFPFBI-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001144569117 1279850913 /nfs/dbraw/zinc/85/09/13/1279850913.db2.gz KHVKEICMQFPFBI-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001144569117 1279850917 /nfs/dbraw/zinc/85/09/17/1279850917.db2.gz KHVKEICMQFPFBI-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001144569117 1279850920 /nfs/dbraw/zinc/85/09/20/1279850920.db2.gz KHVKEICMQFPFBI-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272206 1287387494 /nfs/dbraw/zinc/38/74/94/1287387494.db2.gz IGDQHSZYSNXCAO-NVXWUHKLSA-N 2 1 332.492 2.595 20 30 EFEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262668 1287383958 /nfs/dbraw/zinc/38/39/58/1287383958.db2.gz JMWAUZLXGFWQCF-MAUKXSAKSA-N 2 1 327.488 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623575 1280267571 /nfs/dbraw/zinc/26/75/71/1280267571.db2.gz LPZUVAMSINXCIV-VQTJNVASSA-N 2 1 341.499 2.633 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171246861 1280431783 /nfs/dbraw/zinc/43/17/83/1280431783.db2.gz HDBJITVHTHOIMU-IAGOWNOFSA-N 2 1 332.492 2.991 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)o1 ZINC000872145557 1287443507 /nfs/dbraw/zinc/44/35/07/1287443507.db2.gz UCPSLDZQZUGGIQ-UHFFFAOYSA-N 2 1 339.443 2.721 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171306952 1281185541 /nfs/dbraw/zinc/18/55/41/1281185541.db2.gz DDFMXCOIAYXFMP-HKUYNNGSSA-N 2 1 347.547 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171306952 1281185546 /nfs/dbraw/zinc/18/55/46/1281185546.db2.gz DDFMXCOIAYXFMP-HKUYNNGSSA-N 2 1 347.547 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171307410 1281190802 /nfs/dbraw/zinc/19/08/02/1281190802.db2.gz IOTJWZZYRXHLOF-HKUYNNGSSA-N 2 1 333.520 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171307410 1281190807 /nfs/dbraw/zinc/19/08/07/1281190807.db2.gz IOTJWZZYRXHLOF-HKUYNNGSSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541796 1281198885 /nfs/dbraw/zinc/19/88/85/1281198885.db2.gz XJFNLWVVCIUQBJ-ZWKOTPCHSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541796 1281198887 /nfs/dbraw/zinc/19/88/87/1281198887.db2.gz XJFNLWVVCIUQBJ-ZWKOTPCHSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541796 1281198891 /nfs/dbraw/zinc/19/88/91/1281198891.db2.gz XJFNLWVVCIUQBJ-ZWKOTPCHSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573310 1281209159 /nfs/dbraw/zinc/20/91/59/1281209159.db2.gz ZYIOPFZFWCGMCP-IBGZPJMESA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658273 1281230523 /nfs/dbraw/zinc/23/05/23/1281230523.db2.gz NWAPVKRMXUSMQJ-IRXDYDNUSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147717563 1281245008 /nfs/dbraw/zinc/24/50/08/1281245008.db2.gz ZPSUHYRRLLNKQO-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001147717563 1281245014 /nfs/dbraw/zinc/24/50/14/1281245014.db2.gz ZPSUHYRRLLNKQO-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001147717563 1281245020 /nfs/dbraw/zinc/24/50/20/1281245020.db2.gz ZPSUHYRRLLNKQO-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742889 1281260862 /nfs/dbraw/zinc/26/08/62/1281260862.db2.gz SIWDKEYPHDLIFO-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742889 1281260869 /nfs/dbraw/zinc/26/08/69/1281260869.db2.gz SIWDKEYPHDLIFO-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147742889 1281260875 /nfs/dbraw/zinc/26/08/75/1281260875.db2.gz SIWDKEYPHDLIFO-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147842249 1281316311 /nfs/dbraw/zinc/31/63/11/1281316311.db2.gz ZDCBDYLLCUMRRN-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842249 1281316322 /nfs/dbraw/zinc/31/63/22/1281316322.db2.gz ZDCBDYLLCUMRRN-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842249 1281316327 /nfs/dbraw/zinc/31/63/27/1281316327.db2.gz ZDCBDYLLCUMRRN-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147842250 1281316694 /nfs/dbraw/zinc/31/66/94/1281316694.db2.gz ZDCBDYLLCUMRRN-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842250 1281316699 /nfs/dbraw/zinc/31/66/99/1281316699.db2.gz ZDCBDYLLCUMRRN-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842250 1281316705 /nfs/dbraw/zinc/31/67/05/1281316705.db2.gz ZDCBDYLLCUMRRN-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674093 1281419084 /nfs/dbraw/zinc/41/90/84/1281419084.db2.gz NADGNDDJOVULEX-UEXGIBASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674093 1281419088 /nfs/dbraw/zinc/41/90/88/1281419088.db2.gz NADGNDDJOVULEX-UEXGIBASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674093 1281419091 /nfs/dbraw/zinc/41/90/91/1281419091.db2.gz NADGNDDJOVULEX-UEXGIBASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153027 1281429986 /nfs/dbraw/zinc/42/99/86/1281429986.db2.gz GHAFIVOEYDKDDI-INIZCTEOSA-N 2 1 345.487 2.844 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292509 1281496124 /nfs/dbraw/zinc/49/61/24/1281496124.db2.gz ITPCFUSVQJWRBT-ROUUACIJSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292509 1281496131 /nfs/dbraw/zinc/49/61/31/1281496131.db2.gz ITPCFUSVQJWRBT-ROUUACIJSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292509 1281496136 /nfs/dbraw/zinc/49/61/36/1281496136.db2.gz ITPCFUSVQJWRBT-ROUUACIJSA-N 2 1 335.536 2.689 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827920 1281756498 /nfs/dbraw/zinc/75/64/98/1281756498.db2.gz RNNUJHDAQFOCHF-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001148833830 1281760407 /nfs/dbraw/zinc/76/04/07/1281760407.db2.gz NAJFPHCNDKOVNN-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833756 1281760680 /nfs/dbraw/zinc/76/06/80/1281760680.db2.gz ILSQOJLAVOHIPC-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893441 1281795691 /nfs/dbraw/zinc/79/56/91/1281795691.db2.gz ITPVWHJMCNJSSJ-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893441 1281795694 /nfs/dbraw/zinc/79/56/94/1281795694.db2.gz ITPVWHJMCNJSSJ-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893441 1281795696 /nfs/dbraw/zinc/79/56/96/1281795696.db2.gz ITPVWHJMCNJSSJ-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893441 1281795698 /nfs/dbraw/zinc/79/56/98/1281795698.db2.gz ITPVWHJMCNJSSJ-UHFFFAOYSA-N 2 1 341.499 2.619 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900119 1281799690 /nfs/dbraw/zinc/79/96/90/1281799690.db2.gz SAEHGCMXUQXDTO-UHFFFAOYSA-N 2 1 333.520 2.753 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785804 1287528407 /nfs/dbraw/zinc/52/84/07/1287528407.db2.gz OHGNQOOCVKFTPT-RTBURBONSA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086924940 1281943366 /nfs/dbraw/zinc/94/33/66/1281943366.db2.gz GXXHZYRSAUGNLG-GBESFXJTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926232 1281946057 /nfs/dbraw/zinc/94/60/57/1281946057.db2.gz SJFDZDPOWIPIFQ-RBUKOAKNSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704079 1287539677 /nfs/dbraw/zinc/53/96/77/1287539677.db2.gz RHRHHKFNHRLBBA-OAHLLOKOSA-N 2 1 340.899 2.989 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086955967 1282024834 /nfs/dbraw/zinc/02/48/34/1282024834.db2.gz ARRDTTPPESDQIW-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879781 1282210351 /nfs/dbraw/zinc/21/03/51/1282210351.db2.gz RRBVIAISBGVAOE-DYXWJJEUSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947424 1282274602 /nfs/dbraw/zinc/27/46/02/1282274602.db2.gz GOFFMPJSXZEIQI-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947424 1282274613 /nfs/dbraw/zinc/27/46/13/1282274613.db2.gz GOFFMPJSXZEIQI-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947424 1282274620 /nfs/dbraw/zinc/27/46/20/1282274620.db2.gz GOFFMPJSXZEIQI-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101498 1282400695 /nfs/dbraw/zinc/40/06/95/1282400695.db2.gz GWACFRFSVUNSNK-CTNGQTDRSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158474480 1282437819 /nfs/dbraw/zinc/43/78/19/1282437819.db2.gz ZZKDBNWNEFSFMK-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158474480 1282437826 /nfs/dbraw/zinc/43/78/26/1282437826.db2.gz ZZKDBNWNEFSFMK-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474480 1282437830 /nfs/dbraw/zinc/43/78/30/1282437830.db2.gz ZZKDBNWNEFSFMK-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474480 1282437834 /nfs/dbraw/zinc/43/78/34/1282437834.db2.gz ZZKDBNWNEFSFMK-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302860 1282549016 /nfs/dbraw/zinc/54/90/16/1282549016.db2.gz AVZZTJJNOYRODV-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092312852 1282562787 /nfs/dbraw/zinc/56/27/87/1282562787.db2.gz IJBYDNMFZWCFDJ-UZLBHIALSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782699 1283027480 /nfs/dbraw/zinc/02/74/80/1283027480.db2.gz WIXAGPYLRSLPTP-NVXWUHKLSA-N 2 1 326.444 2.598 20 30 EFEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000810217438 1283046041 /nfs/dbraw/zinc/04/60/41/1283046041.db2.gz DJPTWJUPVZUFCA-UYAOXDASSA-N 2 1 325.456 2.779 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206827 1283157478 /nfs/dbraw/zinc/15/74/78/1283157478.db2.gz OEZVJSNRMIEJEJ-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206827 1283157484 /nfs/dbraw/zinc/15/74/84/1283157484.db2.gz OEZVJSNRMIEJEJ-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206827 1283157487 /nfs/dbraw/zinc/15/74/87/1283157487.db2.gz OEZVJSNRMIEJEJ-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093121168 1283263656 /nfs/dbraw/zinc/26/36/56/1283263656.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093121168 1283263661 /nfs/dbraw/zinc/26/36/61/1283263661.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093121168 1283263669 /nfs/dbraw/zinc/26/36/69/1283263669.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731406 1283293601 /nfs/dbraw/zinc/29/36/01/1283293601.db2.gz SSBZVZZFRYISHU-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335518 1283353406 /nfs/dbraw/zinc/35/34/06/1283353406.db2.gz PKOHUZAGLDPPSE-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335518 1283353414 /nfs/dbraw/zinc/35/34/14/1283353414.db2.gz PKOHUZAGLDPPSE-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754256 1283420205 /nfs/dbraw/zinc/42/02/05/1283420205.db2.gz CQSNRDFCBXTPNA-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754256 1283420212 /nfs/dbraw/zinc/42/02/12/1283420212.db2.gz CQSNRDFCBXTPNA-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754256 1283420216 /nfs/dbraw/zinc/42/02/16/1283420216.db2.gz CQSNRDFCBXTPNA-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762212 1283477219 /nfs/dbraw/zinc/47/72/19/1283477219.db2.gz HADVVKDZBVOQEH-IEBWSBKVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225488 1283514814 /nfs/dbraw/zinc/51/48/14/1283514814.db2.gz MDVBAOUHOOGBEP-RHSMWYFYSA-N 2 1 349.906 2.798 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426463 1283552722 /nfs/dbraw/zinc/55/27/22/1283552722.db2.gz XRVLHMCBPCUJDZ-ZWKOTPCHSA-N 2 1 341.540 2.504 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176022994 1287659672 /nfs/dbraw/zinc/65/96/72/1287659672.db2.gz FEEGELCVLICBMI-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001093376559 1283827420 /nfs/dbraw/zinc/82/74/20/1283827420.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093376559 1283827425 /nfs/dbraw/zinc/82/74/25/1283827425.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093376559 1283827433 /nfs/dbraw/zinc/82/74/33/1283827433.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379491 1283839866 /nfs/dbraw/zinc/83/98/66/1283839866.db2.gz AMFANZCPEAUADU-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382606 1283851760 /nfs/dbraw/zinc/85/17/60/1283851760.db2.gz BHQCNHPJXMGNCS-HXUWFJFHSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000815652787 1287672093 /nfs/dbraw/zinc/67/20/93/1287672093.db2.gz SYTKRTZNWZFOHO-DLBZAZTESA-N 2 1 337.508 2.757 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000815652787 1287672096 /nfs/dbraw/zinc/67/20/96/1287672096.db2.gz SYTKRTZNWZFOHO-DLBZAZTESA-N 2 1 337.508 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061313 /nfs/dbraw/zinc/06/13/13/1284061313.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061321 /nfs/dbraw/zinc/06/13/21/1284061321.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061333 /nfs/dbraw/zinc/06/13/33/1284061333.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841623 1284239156 /nfs/dbraw/zinc/23/91/56/1284239156.db2.gz AVSKIRFOAJDVNO-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854186 1284329414 /nfs/dbraw/zinc/32/94/14/1284329414.db2.gz HNQUTXORERSIAI-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867463 1284441812 /nfs/dbraw/zinc/44/18/12/1284441812.db2.gz VPLNLMONNDZTTJ-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120220 1287716230 /nfs/dbraw/zinc/71/62/30/1287716230.db2.gz KZTXJVQANBHKOF-PKOBYXMFSA-N 2 1 329.488 2.577 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941927 1284497106 /nfs/dbraw/zinc/49/71/06/1284497106.db2.gz SPAHPOPAUDKANE-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941009 1284497471 /nfs/dbraw/zinc/49/74/71/1284497471.db2.gz DJDBFTLZJUQLBD-ZWKOTPCHSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120257 1287718935 /nfs/dbraw/zinc/71/89/35/1287718935.db2.gz MBKXWYVHOGLPOH-QUCCMNQESA-N 2 1 343.515 2.967 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133120781 1284830353 /nfs/dbraw/zinc/83/03/53/1284830353.db2.gz AYPMBROLSGIARV-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121979 1284831873 /nfs/dbraw/zinc/83/18/73/1284831873.db2.gz NCNQZMJGAYCEED-ZWKOTPCHSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142501 1284863174 /nfs/dbraw/zinc/86/31/74/1284863174.db2.gz NQLYEOWHVWGLBO-DLBZAZTESA-N 2 1 332.492 2.657 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147380 1284899573 /nfs/dbraw/zinc/89/95/73/1284899573.db2.gz SEUHPCDDDGPGGT-DLBZAZTESA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165388 1284923174 /nfs/dbraw/zinc/92/31/74/1284923174.db2.gz GCMXYQVNPWZDQK-FUHWJXTLSA-N 2 1 332.492 2.622 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185466 1284950384 /nfs/dbraw/zinc/95/03/84/1284950384.db2.gz DJOBOHXDTRFQAQ-RTBURBONSA-N 2 1 335.536 2.596 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185463 1284950505 /nfs/dbraw/zinc/95/05/05/1284950505.db2.gz DJOBOHXDTRFQAQ-MOPGFXCFSA-N 2 1 335.536 2.596 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434177 1285078780 /nfs/dbraw/zinc/07/87/80/1285078780.db2.gz VLTRMJSSYLZNSB-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434177 1285078789 /nfs/dbraw/zinc/07/87/89/1285078789.db2.gz VLTRMJSSYLZNSB-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434177 1285078798 /nfs/dbraw/zinc/07/87/98/1285078798.db2.gz VLTRMJSSYLZNSB-SFHLNBCPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450654 1285119162 /nfs/dbraw/zinc/11/91/62/1285119162.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450654 1285119165 /nfs/dbraw/zinc/11/91/65/1285119165.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450654 1285119170 /nfs/dbraw/zinc/11/91/70/1285119170.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497648 1285158766 /nfs/dbraw/zinc/15/87/66/1285158766.db2.gz FVIHLLAMBGDITG-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497648 1285158778 /nfs/dbraw/zinc/15/87/78/1285158778.db2.gz FVIHLLAMBGDITG-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497648 1285158792 /nfs/dbraw/zinc/15/87/92/1285158792.db2.gz FVIHLLAMBGDITG-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094581794 1285351252 /nfs/dbraw/zinc/35/12/52/1285351252.db2.gz FSYKHVSDPUCUTR-TZIWHRDSSA-N 2 1 341.499 2.909 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)CCC[C@@H]12 ZINC001094556581 1285366551 /nfs/dbraw/zinc/36/65/51/1285366551.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094556581 1285366565 /nfs/dbraw/zinc/36/65/65/1285366565.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094556581 1285366582 /nfs/dbraw/zinc/36/65/82/1285366582.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902698 1285382957 /nfs/dbraw/zinc/38/29/57/1285382957.db2.gz OCPIGHYPOXJZPE-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825346 1285795896 /nfs/dbraw/zinc/79/58/96/1285795896.db2.gz CJRAMEMYAXKERX-KRWDZBQOSA-N 2 1 346.519 2.993 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826728 1285798113 /nfs/dbraw/zinc/79/81/13/1285798113.db2.gz VMHFBDXNRHRKRX-INIZCTEOSA-N 2 1 332.492 2.603 20 30 EFEDMP C#CCOCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977051 1285960324 /nfs/dbraw/zinc/96/03/24/1285960324.db2.gz WSDSBGXDHPBBJL-FQEVSTJZSA-N 2 1 344.499 2.686 20 30 EFEDMP CCCCCCC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856819 1286033052 /nfs/dbraw/zinc/03/30/52/1286033052.db2.gz RUXHCYUPTLNUNC-SFHVURJKSA-N 2 1 329.504 2.875 20 30 EFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172308987 1286091666 /nfs/dbraw/zinc/09/16/66/1286091666.db2.gz QEAHBPPMFQXOEK-HNNXBMFYSA-N 2 1 326.444 2.619 20 30 EFEDMP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133917722 1286114072 /nfs/dbraw/zinc/11/40/72/1286114072.db2.gz DQIIFIWASWVESU-UHFFFAOYSA-N 2 1 331.504 2.613 20 30 EFEDMP C[C@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172496263 1286170777 /nfs/dbraw/zinc/17/07/77/1286170777.db2.gz ZAXQFOSTOBWQTE-QGZVFWFLSA-N 2 1 329.492 2.933 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CCCC#N)CC2)C1 ZINC001172497146 1286171763 /nfs/dbraw/zinc/17/17/63/1286171763.db2.gz YSZBFFWVKLNDOB-SJORKVTESA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CCCC#N)CC2)C1 ZINC001172497146 1286171770 /nfs/dbraw/zinc/17/17/70/1286171770.db2.gz YSZBFFWVKLNDOB-SJORKVTESA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CCCC#N)CC2)C1 ZINC001172497143 1286172069 /nfs/dbraw/zinc/17/20/69/1286172069.db2.gz YSZBFFWVKLNDOB-DLBZAZTESA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CCCC#N)CC2)C1 ZINC001172497143 1286172074 /nfs/dbraw/zinc/17/20/74/1286172074.db2.gz YSZBFFWVKLNDOB-DLBZAZTESA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CCCC#N)CC2)C1 ZINC001172497144 1286172277 /nfs/dbraw/zinc/17/22/77/1286172277.db2.gz YSZBFFWVKLNDOB-IAGOWNOFSA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CCCC#N)CC2)C1 ZINC001172497144 1286172283 /nfs/dbraw/zinc/17/22/83/1286172283.db2.gz YSZBFFWVKLNDOB-IAGOWNOFSA-N 2 1 335.492 2.808 20 30 EFEDMP CC[N@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989173 1286366885 /nfs/dbraw/zinc/36/68/85/1286366885.db2.gz GGDAFLCQZLSIIC-HOTGVXAUSA-N 2 1 338.496 2.552 20 30 EFEDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989173 1286366894 /nfs/dbraw/zinc/36/68/94/1286366894.db2.gz GGDAFLCQZLSIIC-HOTGVXAUSA-N 2 1 338.496 2.552 20 30 EFEDMP COCCN1CCOC[C@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530329 /nfs/dbraw/zinc/53/03/29/1286530329.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 1 349.519 2.520 20 30 EFEDMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CC1 ZINC001173586535 1286707696 /nfs/dbraw/zinc/70/76/96/1286707696.db2.gz UULLUUKFDLQEMU-UHFFFAOYSA-N 2 1 340.515 2.996 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772758 1287170350 /nfs/dbraw/zinc/17/03/50/1287170350.db2.gz HJQWLZDMYBWAIL-QZTJIDSGSA-N 2 1 343.515 2.641 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727565 1312671261 /nfs/dbraw/zinc/67/12/61/1312671261.db2.gz DMNFUBXMHHOPOY-QZTJIDSGSA-N 2 1 333.520 2.846 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754347 1288120692 /nfs/dbraw/zinc/12/06/92/1288120692.db2.gz TWIVMLPUCKFAGE-KRWDZBQOSA-N 2 1 344.503 2.663 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680265 1288252707 /nfs/dbraw/zinc/25/27/07/1288252707.db2.gz UAVZJHRTRCBYJQ-ZIAGYGMSSA-N 2 1 326.872 2.597 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001177433441 1288438146 /nfs/dbraw/zinc/43/81/46/1288438146.db2.gz GBKLNUKWQSEMDR-HXUWFJFHSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477791 1288464273 /nfs/dbraw/zinc/46/42/73/1288464273.db2.gz MIINUDXIPHHMGI-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000817414004 1288591220 /nfs/dbraw/zinc/59/12/20/1288591220.db2.gz PLVYCJZDLPEDIF-UHFFFAOYSA-N 2 1 325.500 2.660 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483889 1288801235 /nfs/dbraw/zinc/80/12/35/1288801235.db2.gz JNBVFMRXZDYJPG-DLBZAZTESA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634447 1288846796 /nfs/dbraw/zinc/84/67/96/1288846796.db2.gz VGVQTEOPHGBFIS-INIZCTEOSA-N 2 1 329.916 2.880 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCC ZINC001178722160 1288868310 /nfs/dbraw/zinc/86/83/10/1288868310.db2.gz BSJGPHIQKAQYRK-IBGZPJMESA-N 2 1 335.536 2.931 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCC ZINC001178722160 1288868314 /nfs/dbraw/zinc/86/83/14/1288868314.db2.gz BSJGPHIQKAQYRK-IBGZPJMESA-N 2 1 335.536 2.931 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693249 1288873100 /nfs/dbraw/zinc/87/31/00/1288873100.db2.gz MPJUDMVJUSGXTF-LJQANCHMSA-N 2 1 333.520 2.683 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887475 /nfs/dbraw/zinc/88/74/75/1288887475.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 2 1 341.499 2.521 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887481 /nfs/dbraw/zinc/88/74/81/1288887481.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 2 1 341.499 2.521 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887489 /nfs/dbraw/zinc/88/74/89/1288887489.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 2 1 341.499 2.521 20 30 EFEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001179654246 1289206601 /nfs/dbraw/zinc/20/66/01/1289206601.db2.gz HAVNEQTWDOPBCT-UXHICEINSA-N 2 1 343.515 2.784 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651502 1289206731 /nfs/dbraw/zinc/20/67/31/1289206731.db2.gz GIQQSUKFJATVJX-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719826 1289244556 /nfs/dbraw/zinc/24/45/56/1289244556.db2.gz PWVGTSUZDOBLKT-RYRKJORJSA-N 2 1 332.492 2.905 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179824012 1289288588 /nfs/dbraw/zinc/28/85/88/1289288588.db2.gz MTFMPGSABHDAPY-UHFFFAOYSA-N 2 1 340.899 2.990 20 30 EFEDMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180123293 1289425589 /nfs/dbraw/zinc/42/55/89/1289425589.db2.gz FUUHZCYUGBXSDX-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440335 1289807895 /nfs/dbraw/zinc/80/78/95/1289807895.db2.gz DHYGZRZHUXPHRG-QGPMSJSTSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181442116 1289810214 /nfs/dbraw/zinc/81/02/14/1289810214.db2.gz XUWIGFWOWSUGEI-WSTZPKSXSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627213 1290046251 /nfs/dbraw/zinc/04/62/51/1290046251.db2.gz RZBOOWPZYZZKDE-VXNCWWDNSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125140 1290079572 /nfs/dbraw/zinc/07/95/72/1290079572.db2.gz PSCRCNVQQLARMB-GPMSIDNRSA-N 2 1 332.492 2.620 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516957 1290354307 /nfs/dbraw/zinc/35/43/07/1290354307.db2.gz HKPYHIBHNAFVKQ-SLYNCCJLSA-N 2 1 343.515 2.940 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184682247 1290499020 /nfs/dbraw/zinc/49/90/20/1290499020.db2.gz CEGIUXJFLSBAQC-MSOLQXFVSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546799 1290718733 /nfs/dbraw/zinc/71/87/33/1290718733.db2.gz DKFOXGXPSOHNSO-ZBFHGGJFSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546798 1290719028 /nfs/dbraw/zinc/71/90/28/1290719028.db2.gz DKFOXGXPSOHNSO-HOCLYGCPSA-N 2 1 329.916 2.545 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186362674 1290938914 /nfs/dbraw/zinc/93/89/14/1290938914.db2.gz PIPMUILTPPQSLQ-GOSISDBHSA-N 2 1 332.492 2.909 20 30 EFEDMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820697 /nfs/dbraw/zinc/82/06/97/1312820697.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 1 349.482 2.554 20 30 EFEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCSC(C)(C)C2)C1 ZINC000126133341 1291001339 /nfs/dbraw/zinc/00/13/39/1291001339.db2.gz FJYMZMYEXVBDAJ-HNNXBMFYSA-N 2 1 326.554 2.511 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233039 1291063926 /nfs/dbraw/zinc/06/39/26/1291063926.db2.gz ZHIZPRWGJKTWGV-RTBURBONSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793557 1312843020 /nfs/dbraw/zinc/84/30/20/1312843020.db2.gz UMJJWFMMKYKFTL-INIZCTEOSA-N 2 1 341.927 2.737 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114946 1291308447 /nfs/dbraw/zinc/30/84/47/1291308447.db2.gz DLWKNWGDWDHRDG-HUUCEWRRSA-N 2 1 342.409 2.721 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233083580 1312852770 /nfs/dbraw/zinc/85/27/70/1312852770.db2.gz QPRSBCHXSHEQIM-UHFFFAOYSA-N 2 1 338.499 2.658 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739078 1291635137 /nfs/dbraw/zinc/63/51/37/1291635137.db2.gz MIOHQVRFALVUEZ-PIIMJCKOSA-N 2 1 345.487 2.748 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550248 1291747603 /nfs/dbraw/zinc/74/76/03/1291747603.db2.gz PNWINBFRJZJWGK-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552664 1291752639 /nfs/dbraw/zinc/75/26/39/1291752639.db2.gz VRIZMGFOSPPTAR-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957556067 1291759120 /nfs/dbraw/zinc/75/91/20/1291759120.db2.gz XIHHEURFKOSYIA-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957556019 1291759251 /nfs/dbraw/zinc/75/92/51/1291759251.db2.gz SWOMZJRANICTQL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568097 1291780566 /nfs/dbraw/zinc/78/05/66/1291780566.db2.gz CSQXRIKVBWBJFO-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568858 1291781478 /nfs/dbraw/zinc/78/14/78/1291781478.db2.gz RQBJRETUMWHHEW-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605900 1291860610 /nfs/dbraw/zinc/86/06/10/1291860610.db2.gz OUIYNEWIHDNARQ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221457 1292049855 /nfs/dbraw/zinc/04/98/55/1292049855.db2.gz AQVVFKYFYUYZMT-RBUKOAKNSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473581 1312901016 /nfs/dbraw/zinc/90/10/16/1312901016.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473581 1312901019 /nfs/dbraw/zinc/90/10/19/1312901019.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473581 1312901022 /nfs/dbraw/zinc/90/10/22/1312901022.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475752 1312903583 /nfs/dbraw/zinc/90/35/83/1312903583.db2.gz ARHOODDAGLKMOS-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190443923 1292164143 /nfs/dbraw/zinc/16/41/43/1292164143.db2.gz LMCXDXRCWBWINZ-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480563 1312909415 /nfs/dbraw/zinc/90/94/15/1312909415.db2.gz FWNNFZGCQFXOQA-VVLHAWIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480563 1312909416 /nfs/dbraw/zinc/90/94/16/1312909416.db2.gz FWNNFZGCQFXOQA-VVLHAWIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480563 1312909419 /nfs/dbraw/zinc/90/94/19/1312909419.db2.gz FWNNFZGCQFXOQA-VVLHAWIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480563 1312909422 /nfs/dbraw/zinc/90/94/22/1312909422.db2.gz FWNNFZGCQFXOQA-VVLHAWIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660822 1312910595 /nfs/dbraw/zinc/91/05/95/1312910595.db2.gz BZTWKVRMJMMANM-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016662537 1312911090 /nfs/dbraw/zinc/91/10/90/1312911090.db2.gz KMLYJELARBCSGC-MSOLQXFVSA-N 2 1 331.504 2.550 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663378 1312911578 /nfs/dbraw/zinc/91/15/78/1312911578.db2.gz QGCRKQKQIWVPOH-OALUTQOASA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663845 1312912249 /nfs/dbraw/zinc/91/22/49/1312912249.db2.gz UXJOHRKJVSZQMP-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(O)c1 ZINC001233383723 1312918654 /nfs/dbraw/zinc/91/86/54/1312918654.db2.gz TVSYDEXSVJYFFA-UHFFFAOYSA-N 2 1 343.471 2.588 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191008740 1292422114 /nfs/dbraw/zinc/42/21/14/1292422114.db2.gz AIGABYPZMBKNSD-IEBWSBKVSA-N 2 1 344.503 2.725 20 30 EFEDMP CCCCCCCNC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001191086678 1292475120 /nfs/dbraw/zinc/47/51/20/1292475120.db2.gz MOFULBINAJEJBW-UHFFFAOYSA-N 2 1 333.480 2.925 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467685 1312931147 /nfs/dbraw/zinc/93/11/47/1312931147.db2.gz DHCWCHHIENMCOL-IAGOWNOFSA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493290 1312938229 /nfs/dbraw/zinc/93/82/29/1312938229.db2.gz SGTKUGTZIWQAAQ-ZWKOTPCHSA-N 2 1 344.503 2.955 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507579 1312942235 /nfs/dbraw/zinc/94/22/35/1312942235.db2.gz SXUMLPMDHGBMNM-ZWKOTPCHSA-N 2 1 333.520 2.539 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509858 1312943280 /nfs/dbraw/zinc/94/32/80/1312943280.db2.gz AIQYFTMJLZKCBC-DLBZAZTESA-N 2 1 345.512 2.512 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509858 1312943283 /nfs/dbraw/zinc/94/32/83/1312943283.db2.gz AIQYFTMJLZKCBC-DLBZAZTESA-N 2 1 345.512 2.512 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514425 1312950387 /nfs/dbraw/zinc/95/03/87/1312950387.db2.gz DXLUGSDWEBHMNT-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514425 1312950394 /nfs/dbraw/zinc/95/03/94/1312950394.db2.gz DXLUGSDWEBHMNT-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514425 1312950397 /nfs/dbraw/zinc/95/03/97/1312950397.db2.gz DXLUGSDWEBHMNT-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514426 1312950667 /nfs/dbraw/zinc/95/06/67/1312950667.db2.gz DXLUGSDWEBHMNT-SLFFLAALSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514426 1312950670 /nfs/dbraw/zinc/95/06/70/1312950670.db2.gz DXLUGSDWEBHMNT-SLFFLAALSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514426 1312950673 /nfs/dbraw/zinc/95/06/73/1312950673.db2.gz DXLUGSDWEBHMNT-SLFFLAALSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903900 1292924149 /nfs/dbraw/zinc/92/41/49/1292924149.db2.gz QQIVBPHFNYJCHK-XWSJACJDSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903900 1292924158 /nfs/dbraw/zinc/92/41/58/1292924158.db2.gz QQIVBPHFNYJCHK-XWSJACJDSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903900 1292924169 /nfs/dbraw/zinc/92/41/69/1292924169.db2.gz QQIVBPHFNYJCHK-XWSJACJDSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525826 1312966978 /nfs/dbraw/zinc/96/69/78/1312966978.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525826 1312966982 /nfs/dbraw/zinc/96/69/82/1312966982.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525826 1312966985 /nfs/dbraw/zinc/96/69/85/1312966985.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788752 1312981292 /nfs/dbraw/zinc/98/12/92/1312981292.db2.gz CNFFQSXIDDINJW-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793082 1312982947 /nfs/dbraw/zinc/98/29/47/1312982947.db2.gz FIHDKVHSAGWIBC-OKZBNKHCSA-N 2 1 333.520 2.654 20 30 EFEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129784334 1293272427 /nfs/dbraw/zinc/27/24/27/1293272427.db2.gz QPXMHAMSXCXMNK-CHWSQXEVSA-N 2 1 349.548 2.731 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383302 1293283906 /nfs/dbraw/zinc/28/39/06/1293283906.db2.gz RTVMCWYUSIRQAB-PXNSSMCTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546216 1312993670 /nfs/dbraw/zinc/99/36/70/1312993670.db2.gz PNNXJGZRKIYTNV-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203762425 1313009176 /nfs/dbraw/zinc/00/91/76/1313009176.db2.gz QWJWZLXBVSLVME-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203762425 1313009178 /nfs/dbraw/zinc/00/91/78/1313009178.db2.gz QWJWZLXBVSLVME-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203762425 1313009180 /nfs/dbraw/zinc/00/91/80/1313009180.db2.gz QWJWZLXBVSLVME-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203762425 1313009183 /nfs/dbraw/zinc/00/91/83/1313009183.db2.gz QWJWZLXBVSLVME-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP CCC[NH+](CCC)CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203764231 1313009779 /nfs/dbraw/zinc/00/97/79/1313009779.db2.gz GHGTZIGXDHDOAK-UHFFFAOYSA-N 2 1 328.504 2.798 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275078 1293562569 /nfs/dbraw/zinc/56/25/69/1293562569.db2.gz NTIONNQZBGVSRP-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC/C=C/CCC)C2)CC1 ZINC001194246546 1293569357 /nfs/dbraw/zinc/56/93/57/1293569357.db2.gz OMBCGWZOEQYMTA-DUIUGDAFSA-N 2 1 345.531 2.611 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001194246446 1293569866 /nfs/dbraw/zinc/56/98/66/1293569866.db2.gz LZTAXLVSXYIKCO-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246312 1293569915 /nfs/dbraw/zinc/56/99/15/1293569915.db2.gz KXCHEDVEECITPL-GOSISDBHSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016859806 1313014436 /nfs/dbraw/zinc/01/44/36/1313014436.db2.gz NQSMOQQWVAWFQA-INIZCTEOSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862017 1313015346 /nfs/dbraw/zinc/01/53/46/1313015346.db2.gz RQFNWKIYXGZAHC-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448623 1293645124 /nfs/dbraw/zinc/64/51/24/1293645124.db2.gz ILFYYEXJSIUAFM-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448623 1293645133 /nfs/dbraw/zinc/64/51/33/1293645133.db2.gz ILFYYEXJSIUAFM-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448623 1293645140 /nfs/dbraw/zinc/64/51/40/1293645140.db2.gz ILFYYEXJSIUAFM-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448623 1293645149 /nfs/dbraw/zinc/64/51/49/1293645149.db2.gz ILFYYEXJSIUAFM-IBGZPJMESA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813905 1313022335 /nfs/dbraw/zinc/02/23/35/1313022335.db2.gz FZZWQMZKAPUAJO-OALUTQOASA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813905 1313022338 /nfs/dbraw/zinc/02/23/38/1313022338.db2.gz FZZWQMZKAPUAJO-OALUTQOASA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910433 1313045326 /nfs/dbraw/zinc/04/53/26/1313045326.db2.gz JNPQYWDKMHNOSL-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018336 1294106855 /nfs/dbraw/zinc/10/68/55/1294106855.db2.gz PENXQIKUMMSAIT-UHFFFAOYSA-N 2 1 335.517 2.924 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018336 1294106861 /nfs/dbraw/zinc/10/68/61/1294106861.db2.gz PENXQIKUMMSAIT-UHFFFAOYSA-N 2 1 335.517 2.924 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196026117 1294110917 /nfs/dbraw/zinc/11/09/17/1294110917.db2.gz ZKTXPBOWCSXNRZ-IRXDYDNUSA-N 2 1 327.488 2.555 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163477 1294155127 /nfs/dbraw/zinc/15/51/27/1294155127.db2.gz PEVPTVWDDOPFJI-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163477 1294155129 /nfs/dbraw/zinc/15/51/29/1294155129.db2.gz PEVPTVWDDOPFJI-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001196339758 1294203772 /nfs/dbraw/zinc/20/37/72/1294203772.db2.gz CWGZJVHNZJSPFR-GOSISDBHSA-N 2 1 346.519 2.950 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388148 1294220126 /nfs/dbraw/zinc/22/01/26/1294220126.db2.gz DSWSNFXGRQBYFF-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388148 1294220129 /nfs/dbraw/zinc/22/01/29/1294220129.db2.gz DSWSNFXGRQBYFF-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388148 1294220132 /nfs/dbraw/zinc/22/01/32/1294220132.db2.gz DSWSNFXGRQBYFF-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417368 1294241073 /nfs/dbraw/zinc/24/10/73/1294241073.db2.gz QJYYTKNRVQDLRR-UHFFFAOYSA-N 2 1 333.520 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596456 1313066837 /nfs/dbraw/zinc/06/68/37/1313066837.db2.gz WQPWMZLPUKXPOZ-RBUKOAKNSA-N 2 1 338.455 2.979 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983478 1313071145 /nfs/dbraw/zinc/07/11/45/1313071145.db2.gz TZYOPHVPVHMRJY-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158160 1294470802 /nfs/dbraw/zinc/47/08/02/1294470802.db2.gz JRHHPIFHQCNTID-SJLPKXTDSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158160 1294470805 /nfs/dbraw/zinc/47/08/05/1294470805.db2.gz JRHHPIFHQCNTID-SJLPKXTDSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197325256 1294515748 /nfs/dbraw/zinc/51/57/48/1294515748.db2.gz SYPJZIAYCVMHOQ-UHFFFAOYSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197325256 1294515756 /nfs/dbraw/zinc/51/57/56/1294515756.db2.gz SYPJZIAYCVMHOQ-UHFFFAOYSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197325256 1294515765 /nfs/dbraw/zinc/51/57/65/1294515765.db2.gz SYPJZIAYCVMHOQ-UHFFFAOYSA-N 2 1 332.492 2.897 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775805 1294580300 /nfs/dbraw/zinc/58/03/00/1294580300.db2.gz HDOWHSPFYQFOPF-FUHWJXTLSA-N 2 1 332.492 2.543 20 30 EFEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303778032 1294580353 /nfs/dbraw/zinc/58/03/53/1294580353.db2.gz JGUSPAWDTMRILP-YESZJQIVSA-N 2 1 326.529 2.605 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000303786565 1294581614 /nfs/dbraw/zinc/58/16/14/1294581614.db2.gz ROBYERZYQPAGTP-KRWDZBQOSA-N 2 1 332.492 2.925 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303792762 1294583435 /nfs/dbraw/zinc/58/34/35/1294583435.db2.gz YRWVSEVDRFRWLI-KRWDZBQOSA-N 2 1 346.519 2.892 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791175 1294583490 /nfs/dbraw/zinc/58/34/90/1294583490.db2.gz XCMSGHHCQCJKCU-GOSISDBHSA-N 2 1 340.471 2.737 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884146 1294598186 /nfs/dbraw/zinc/59/81/86/1294598186.db2.gz MRAXINQRMCXDCQ-OAHLLOKOSA-N 2 1 343.302 2.925 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303883238 1294598465 /nfs/dbraw/zinc/59/84/65/1294598465.db2.gz IMARUHPCSZPSRP-OAHLLOKOSA-N 2 1 348.491 2.943 20 30 EFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCCO2)cc1C#N ZINC001276443507 1313087588 /nfs/dbraw/zinc/08/75/88/1313087588.db2.gz KLGCHYHIBTWWOE-DLZDZTESSA-N 2 1 342.487 2.551 20 30 EFEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303898993 1294601400 /nfs/dbraw/zinc/60/14/00/1294601400.db2.gz VWEMUPHQXFBFFO-HKUYNNGSSA-N 2 1 328.504 2.598 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC1CCCC1 ZINC000303910349 1294602306 /nfs/dbraw/zinc/60/23/06/1294602306.db2.gz YTRRIBHHWGJWBD-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000303974272 1294614309 /nfs/dbraw/zinc/61/43/09/1294614309.db2.gz HVURGKKXMCZNOG-AWEZNQCLSA-N 2 1 336.480 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615588 1313089654 /nfs/dbraw/zinc/08/96/54/1313089654.db2.gz LVBHONLXDKCDFK-QRVBRYPASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615349 1313089879 /nfs/dbraw/zinc/08/98/79/1313089879.db2.gz JEFBECOAAQJPAU-OTWHNJEPSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197802938 1294722876 /nfs/dbraw/zinc/72/28/76/1294722876.db2.gz XXCCPJKRXHPARC-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197802938 1294722882 /nfs/dbraw/zinc/72/28/82/1294722882.db2.gz XXCCPJKRXHPARC-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197802938 1294722892 /nfs/dbraw/zinc/72/28/92/1294722892.db2.gz XXCCPJKRXHPARC-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197802938 1294722899 /nfs/dbraw/zinc/72/28/99/1294722899.db2.gz XXCCPJKRXHPARC-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809715 1294726143 /nfs/dbraw/zinc/72/61/43/1294726143.db2.gz HEEQEEJYLSTGSJ-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809715 1294726157 /nfs/dbraw/zinc/72/61/57/1294726157.db2.gz HEEQEEJYLSTGSJ-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809715 1294726164 /nfs/dbraw/zinc/72/61/64/1294726164.db2.gz HEEQEEJYLSTGSJ-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809715 1294726171 /nfs/dbraw/zinc/72/61/71/1294726171.db2.gz HEEQEEJYLSTGSJ-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345898 1313109847 /nfs/dbraw/zinc/10/98/47/1313109847.db2.gz NRXZZJPHKRLPEE-OALUTQOASA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345430 1313109904 /nfs/dbraw/zinc/10/99/04/1313109904.db2.gz IIVPOFBIDVWMPL-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234402488 1313120556 /nfs/dbraw/zinc/12/05/56/1313120556.db2.gz LPLTYPSPONTSQE-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402488 1313120560 /nfs/dbraw/zinc/12/05/60/1313120560.db2.gz LPLTYPSPONTSQE-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402488 1313120563 /nfs/dbraw/zinc/12/05/63/1313120563.db2.gz LPLTYPSPONTSQE-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616563 1295149654 /nfs/dbraw/zinc/14/96/54/1295149654.db2.gz IUBNJOARYQDPHH-ZWKOTPCHSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953587 1295353708 /nfs/dbraw/zinc/35/37/08/1295353708.db2.gz QWBIRONUHNESDF-GOSISDBHSA-N 2 1 347.503 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049664680 1313156385 /nfs/dbraw/zinc/15/63/85/1313156385.db2.gz RDYAHSGYHRFECJ-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049664680 1313156389 /nfs/dbraw/zinc/15/63/89/1313156389.db2.gz RDYAHSGYHRFECJ-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049664680 1313156391 /nfs/dbraw/zinc/15/63/91/1313156391.db2.gz RDYAHSGYHRFECJ-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676050 1313170386 /nfs/dbraw/zinc/17/03/86/1313170386.db2.gz KNLABDUNOUJIRY-IRXDYDNUSA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676050 1313170391 /nfs/dbraw/zinc/17/03/91/1313170391.db2.gz KNLABDUNOUJIRY-IRXDYDNUSA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642117 1313176209 /nfs/dbraw/zinc/17/62/09/1313176209.db2.gz HFWIIYJYXLOVPR-ZWKOTPCHSA-N 2 1 341.515 2.945 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304740509 1295746748 /nfs/dbraw/zinc/74/67/48/1295746748.db2.gz BRAWGNRIACZOJK-FQEVSTJZSA-N 2 1 336.483 2.798 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304759361 1295750169 /nfs/dbraw/zinc/75/01/69/1295750169.db2.gz RAQPAYFKZXFPKV-SJLPKXTDSA-N 3 1 345.535 2.504 20 30 EFEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000304759361 1295750182 /nfs/dbraw/zinc/75/01/82/1295750182.db2.gz RAQPAYFKZXFPKV-SJLPKXTDSA-N 2 1 345.535 2.504 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000304759361 1295750195 /nfs/dbraw/zinc/75/01/95/1295750195.db2.gz RAQPAYFKZXFPKV-SJLPKXTDSA-N 2 1 345.535 2.504 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756570 1295750651 /nfs/dbraw/zinc/75/06/51/1295750651.db2.gz NUVAGOWMGDQAAM-INIZCTEOSA-N 2 1 332.492 2.577 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759805 1295751020 /nfs/dbraw/zinc/75/10/20/1295751020.db2.gz ROULKVDIIRUDMI-OAHLLOKOSA-N 2 1 332.517 2.700 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754094 1295751452 /nfs/dbraw/zinc/75/14/52/1295751452.db2.gz LOUYYHRHBCWTAK-MRXNPFEDSA-N 2 1 334.895 2.760 20 30 EFEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCCCC2 ZINC000304805968 1295760221 /nfs/dbraw/zinc/76/02/21/1295760221.db2.gz RSTXQOBAWYGTNO-GVDBMIGSSA-N 2 1 336.524 2.503 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006318 1295835397 /nfs/dbraw/zinc/83/53/97/1295835397.db2.gz PLPVVPBDISXHAL-GOSISDBHSA-N 2 1 328.504 2.788 20 30 EFEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCCC3)c2)CCO1 ZINC000305095591 1295905219 /nfs/dbraw/zinc/90/52/19/1295905219.db2.gz ZSROQIZMXSWOFQ-QGZVFWFLSA-N 2 1 344.503 2.598 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCCC3)c2)CCO1 ZINC000305095591 1295905228 /nfs/dbraw/zinc/90/52/28/1295905228.db2.gz ZSROQIZMXSWOFQ-QGZVFWFLSA-N 2 1 344.503 2.598 20 30 EFEDMP CCSCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277912898 1313214651 /nfs/dbraw/zinc/21/46/51/1313214651.db2.gz BDPRLRDSCQGCEP-UHFFFAOYSA-N 2 1 346.544 2.938 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000890 1313219512 /nfs/dbraw/zinc/21/95/12/1313219512.db2.gz MKNIBPLAKLFVQN-HKUYNNGSSA-N 2 1 335.492 2.629 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718803 1313220396 /nfs/dbraw/zinc/22/03/96/1313220396.db2.gz NYMVRTYSELUEJB-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718803 1313220398 /nfs/dbraw/zinc/22/03/98/1313220398.db2.gz NYMVRTYSELUEJB-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049718803 1313220402 /nfs/dbraw/zinc/22/04/02/1313220402.db2.gz NYMVRTYSELUEJB-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132386 1296235725 /nfs/dbraw/zinc/23/57/25/1296235725.db2.gz RIHBSYHIUCOLHT-JOCHJYFZSA-N 2 1 339.527 2.908 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001275327378 1296259248 /nfs/dbraw/zinc/25/92/48/1296259248.db2.gz POJWFWGIVMBTKY-UHFFFAOYSA-N 2 1 339.418 2.518 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750979 1313253454 /nfs/dbraw/zinc/25/34/54/1313253454.db2.gz AURKYSPLLJUVLY-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750979 1313253458 /nfs/dbraw/zinc/25/34/58/1313253458.db2.gz AURKYSPLLJUVLY-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205334247 1313271002 /nfs/dbraw/zinc/27/10/02/1313271002.db2.gz IIWXACHTQXVOHB-NZSAHSFTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761639 1313271572 /nfs/dbraw/zinc/27/15/72/1313271572.db2.gz KXEYEHGGSXANER-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761639 1313271576 /nfs/dbraw/zinc/27/15/76/1313271576.db2.gz KXEYEHGGSXANER-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053850 1296567876 /nfs/dbraw/zinc/56/78/76/1296567876.db2.gz ZFDZLEKOKYKVNX-WBVHZDCISA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049766761 1313276800 /nfs/dbraw/zinc/27/68/00/1313276800.db2.gz MXSGZQZNRLHZFS-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768219 1313278785 /nfs/dbraw/zinc/27/87/85/1313278785.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768219 1313278788 /nfs/dbraw/zinc/27/87/88/1313278788.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768219 1313278791 /nfs/dbraw/zinc/27/87/91/1313278791.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457776 1313292900 /nfs/dbraw/zinc/29/29/00/1313292900.db2.gz PKIDLZOVXXDFCY-QGZVFWFLSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205460976 1313293604 /nfs/dbraw/zinc/29/36/04/1313293604.db2.gz BSPJFPDNWVGHFZ-IBGZPJMESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462163 1313293652 /nfs/dbraw/zinc/29/36/52/1313293652.db2.gz UHMHKELHIKVYPH-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235339810 1313295467 /nfs/dbraw/zinc/29/54/67/1313295467.db2.gz VTGUSSGMXHVRKW-RMJJICAUSA-N 2 1 334.504 2.844 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235339009 1313295628 /nfs/dbraw/zinc/29/56/28/1313295628.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339009 1313295632 /nfs/dbraw/zinc/29/56/32/1313295632.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235339009 1313295636 /nfs/dbraw/zinc/29/56/36/1313295636.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789039 1313302529 /nfs/dbraw/zinc/30/25/29/1313302529.db2.gz UYNDZQKGWYTGRZ-MOPGFXCFSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518774 1313303915 /nfs/dbraw/zinc/30/39/15/1313303915.db2.gz KNYDOGSXJLCLTM-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518784 1313303962 /nfs/dbraw/zinc/30/39/62/1313303962.db2.gz KQLOIKQVDRHFRY-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566607 1296816174 /nfs/dbraw/zinc/81/61/74/1296816174.db2.gz AFYFQIGDEOGGGM-KURKYZTESA-N 2 1 333.520 2.939 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCCC ZINC001235473287 1313331903 /nfs/dbraw/zinc/33/19/03/1313331903.db2.gz UZKOZAGQTJHFKS-OALUTQOASA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCCC ZINC001235473287 1313331907 /nfs/dbraw/zinc/33/19/07/1313331907.db2.gz UZKOZAGQTJHFKS-OALUTQOASA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCCC ZINC001235473287 1313331914 /nfs/dbraw/zinc/33/19/14/1313331914.db2.gz UZKOZAGQTJHFKS-OALUTQOASA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCCC ZINC001235473287 1313331917 /nfs/dbraw/zinc/33/19/17/1313331917.db2.gz UZKOZAGQTJHFKS-OALUTQOASA-N 2 1 333.520 2.587 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CCCCC#N)C[C@H]3CC2)cc1C#N ZINC001277948689 1313334967 /nfs/dbraw/zinc/33/49/67/1313334967.db2.gz MMGYKKKYSDOMGP-KDURUIRLSA-N 2 1 339.487 2.734 20 30 EFEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235530684 1313345454 /nfs/dbraw/zinc/34/54/54/1313345454.db2.gz WHDKDFGARSLMCV-HXUWFJFHSA-N 2 1 327.472 2.828 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049836040 1313366294 /nfs/dbraw/zinc/36/62/94/1313366294.db2.gz NENOHJOGKREHBZ-ZVDOUQERSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049836040 1313366299 /nfs/dbraw/zinc/36/62/99/1313366299.db2.gz NENOHJOGKREHBZ-ZVDOUQERSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049836039 1313366688 /nfs/dbraw/zinc/36/66/88/1313366688.db2.gz NENOHJOGKREHBZ-SFHLNBCPSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049836039 1313366691 /nfs/dbraw/zinc/36/66/91/1313366691.db2.gz NENOHJOGKREHBZ-SFHLNBCPSA-N 2 1 341.499 2.715 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839184 1313368778 /nfs/dbraw/zinc/36/87/78/1313368778.db2.gz BVGCELJMDDDTHF-VQTJNVASSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578751 1297318101 /nfs/dbraw/zinc/31/81/01/1297318101.db2.gz WAEVBTHMCQXOAT-VQHPVUNQSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578751 1297318117 /nfs/dbraw/zinc/31/81/17/1297318117.db2.gz WAEVBTHMCQXOAT-VQHPVUNQSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021166 1297382090 /nfs/dbraw/zinc/38/20/90/1297382090.db2.gz OWMLMYRFOQMZFD-MANSERQUSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021166 1297382103 /nfs/dbraw/zinc/38/21/03/1297382103.db2.gz OWMLMYRFOQMZFD-MANSERQUSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846574 1313380337 /nfs/dbraw/zinc/38/03/37/1313380337.db2.gz KEEBVFJUOCJZJJ-OALUTQOASA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846574 1313380341 /nfs/dbraw/zinc/38/03/41/1313380341.db2.gz KEEBVFJUOCJZJJ-OALUTQOASA-N 2 1 342.487 2.793 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206273894 1313429107 /nfs/dbraw/zinc/42/91/07/1313429107.db2.gz CQQYNDJFAVPWFG-IBGZPJMESA-N 2 1 339.499 2.603 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270352 1297779275 /nfs/dbraw/zinc/77/92/75/1297779275.db2.gz OWFRKUZMLCLZPC-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270352 1297779285 /nfs/dbraw/zinc/77/92/85/1297779285.db2.gz OWFRKUZMLCLZPC-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270352 1297779294 /nfs/dbraw/zinc/77/92/94/1297779294.db2.gz OWFRKUZMLCLZPC-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270352 1297779304 /nfs/dbraw/zinc/77/93/04/1297779304.db2.gz OWFRKUZMLCLZPC-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282560 1313431337 /nfs/dbraw/zinc/43/13/37/1313431337.db2.gz VJCCYPBRQYGCCL-HKUYNNGSSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCCCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021004 1313431911 /nfs/dbraw/zinc/43/19/11/1313431911.db2.gz BHLSEZIHUGASLW-RMJJICAUSA-N 2 1 334.504 2.844 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439781 1298010693 /nfs/dbraw/zinc/01/06/93/1298010693.db2.gz VMOSRRQCIHGWDB-MJGOQNOKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439781 1298010700 /nfs/dbraw/zinc/01/07/00/1298010700.db2.gz VMOSRRQCIHGWDB-MJGOQNOKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439781 1298010711 /nfs/dbraw/zinc/01/07/11/1298010711.db2.gz VMOSRRQCIHGWDB-MJGOQNOKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445943 1313455544 /nfs/dbraw/zinc/45/55/44/1313455544.db2.gz XLIZRTDFLJVGDS-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909796 1313470601 /nfs/dbraw/zinc/47/06/01/1313470601.db2.gz CMENJUHCNJJKRN-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909798 1313470628 /nfs/dbraw/zinc/47/06/28/1313470628.db2.gz CMENJUHCNJJKRN-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689055 1313475761 /nfs/dbraw/zinc/47/57/61/1313475761.db2.gz MKWOWMYULBSMTG-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689055 1313475764 /nfs/dbraw/zinc/47/57/64/1313475764.db2.gz MKWOWMYULBSMTG-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689055 1313475767 /nfs/dbraw/zinc/47/57/67/1313475767.db2.gz MKWOWMYULBSMTG-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689055 1313475770 /nfs/dbraw/zinc/47/57/70/1313475770.db2.gz MKWOWMYULBSMTG-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915426 1313479181 /nfs/dbraw/zinc/47/91/81/1313479181.db2.gz VUGHOWHALHQCHF-IPMKNSEASA-N 2 1 327.472 2.541 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915426 1313479184 /nfs/dbraw/zinc/47/91/84/1313479184.db2.gz VUGHOWHALHQCHF-IPMKNSEASA-N 2 1 327.472 2.541 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903954796 1313479317 /nfs/dbraw/zinc/47/93/17/1313479317.db2.gz WDKSBBHPQPHFPY-CQSZACIVSA-N 2 1 326.387 2.594 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188630 1298273417 /nfs/dbraw/zinc/27/34/17/1298273417.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188630 1298273425 /nfs/dbraw/zinc/27/34/25/1298273425.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188630 1298273431 /nfs/dbraw/zinc/27/34/31/1298273431.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049922085 1313487697 /nfs/dbraw/zinc/48/76/97/1313487697.db2.gz YCALJONJDMAYQD-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197346 1298295721 /nfs/dbraw/zinc/29/57/21/1298295721.db2.gz NOZRLQINPJLQEW-RBUKOAKNSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373515 /nfs/dbraw/zinc/37/35/15/1298373515.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373525 /nfs/dbraw/zinc/37/35/25/1298373525.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373535 /nfs/dbraw/zinc/37/35/35/1298373535.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234795 1298383381 /nfs/dbraw/zinc/38/33/81/1298383381.db2.gz XOYUEUVMZXMZNG-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241604 1298399707 /nfs/dbraw/zinc/39/97/07/1298399707.db2.gz LVVADMJNRJSFPH-ZWKOTPCHSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241604 1298399717 /nfs/dbraw/zinc/39/97/17/1298399717.db2.gz LVVADMJNRJSFPH-ZWKOTPCHSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243939 1298405222 /nfs/dbraw/zinc/40/52/22/1298405222.db2.gz AKQOBIRJAKMZDT-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243931 1298405828 /nfs/dbraw/zinc/40/58/28/1298405828.db2.gz AKQOBIRJAKMZDT-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268837 1298457918 /nfs/dbraw/zinc/45/79/18/1298457918.db2.gz GHKVMSGFRZIBAT-IAGOWNOFSA-N 2 1 342.487 2.508 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268849 1298458115 /nfs/dbraw/zinc/45/81/15/1298458115.db2.gz GHKVMSGFRZIBAT-SJORKVTESA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285233 1298491508 /nfs/dbraw/zinc/49/15/08/1298491508.db2.gz PCZFFNNQROXUJQ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285233 1298491514 /nfs/dbraw/zinc/49/15/14/1298491514.db2.gz PCZFFNNQROXUJQ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869161 1313530380 /nfs/dbraw/zinc/53/03/80/1313530380.db2.gz VQIDYKLAGZKIRO-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373572 1298639278 /nfs/dbraw/zinc/63/92/78/1298639278.db2.gz HUNCPHFNVIXDEF-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383937 1298661521 /nfs/dbraw/zinc/66/15/21/1298661521.db2.gz NERUVQNBGVGSPH-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383937 1298661525 /nfs/dbraw/zinc/66/15/25/1298661525.db2.gz NERUVQNBGVGSPH-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692756 /nfs/dbraw/zinc/69/27/56/1298692756.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692762 /nfs/dbraw/zinc/69/27/62/1298692762.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692769 /nfs/dbraw/zinc/69/27/69/1298692769.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298705003 /nfs/dbraw/zinc/70/50/03/1298705003.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298705012 /nfs/dbraw/zinc/70/50/12/1298705012.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298705020 /nfs/dbraw/zinc/70/50/20/1298705020.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961424608 1298732094 /nfs/dbraw/zinc/73/20/94/1298732094.db2.gz VGTIWQNCQWGKBM-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431072 1298735598 /nfs/dbraw/zinc/73/55/98/1298735598.db2.gz IBTZUJFMWOIBFF-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431072 1298735606 /nfs/dbraw/zinc/73/56/06/1298735606.db2.gz IBTZUJFMWOIBFF-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431072 1298735617 /nfs/dbraw/zinc/73/56/17/1298735617.db2.gz IBTZUJFMWOIBFF-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431068 1298736852 /nfs/dbraw/zinc/73/68/52/1298736852.db2.gz IBTZUJFMWOIBFF-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431068 1298736860 /nfs/dbraw/zinc/73/68/60/1298736860.db2.gz IBTZUJFMWOIBFF-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431068 1298736866 /nfs/dbraw/zinc/73/68/66/1298736866.db2.gz IBTZUJFMWOIBFF-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C[NH+]1CCN(c2cc(C[NH+]3CCC(CC#N)CC3)ccc2F)CC1 ZINC001236963840 1313562056 /nfs/dbraw/zinc/56/20/56/1313562056.db2.gz NVNIXEKWEZPLGP-UHFFFAOYSA-N 2 1 330.451 2.703 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962275611 1299540376 /nfs/dbraw/zinc/54/03/76/1299540376.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275611 1299540383 /nfs/dbraw/zinc/54/03/83/1299540383.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275611 1299540392 /nfs/dbraw/zinc/54/03/92/1299540392.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCN(CC[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207206204 1313636918 /nfs/dbraw/zinc/63/69/18/1313636918.db2.gz RQMLXZRJBTXIKM-UHFFFAOYSA-N 2 1 325.497 2.683 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)CC1 ZINC001237413221 1313641021 /nfs/dbraw/zinc/64/10/21/1313641021.db2.gz VSDRLJUUHFGWHS-QZTJIDSGSA-N 2 1 332.488 2.764 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CC ZINC001207279766 1313650850 /nfs/dbraw/zinc/65/08/50/1313650850.db2.gz JMSWHDTVDYQAEN-XLIONFOSSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660998 1300008103 /nfs/dbraw/zinc/00/81/03/1300008103.db2.gz LAGFDUQHUKJKKQ-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660998 1300008114 /nfs/dbraw/zinc/00/81/14/1300008114.db2.gz LAGFDUQHUKJKKQ-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660998 1300008123 /nfs/dbraw/zinc/00/81/23/1300008123.db2.gz LAGFDUQHUKJKKQ-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501385 1300328005 /nfs/dbraw/zinc/32/80/05/1300328005.db2.gz APZUXIGWSWSYKP-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501385 1300328018 /nfs/dbraw/zinc/32/80/18/1300328018.db2.gz APZUXIGWSWSYKP-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501385 1300328033 /nfs/dbraw/zinc/32/80/33/1300328033.db2.gz APZUXIGWSWSYKP-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC=C ZINC001110678553 1300456554 /nfs/dbraw/zinc/45/65/54/1300456554.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 1 343.515 2.552 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482534 1313697603 /nfs/dbraw/zinc/69/76/03/1313697603.db2.gz NCSNIOUULBATJY-VQTJNVASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482532 1313697827 /nfs/dbraw/zinc/69/78/27/1313697827.db2.gz NCSNIOUULBATJY-PMACEKPBSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328044 1300612248 /nfs/dbraw/zinc/61/22/48/1300612248.db2.gz KZLDCJUZMBKDAU-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329495 1300615899 /nfs/dbraw/zinc/61/58/99/1300615899.db2.gz ZMUARLDFDQSAOS-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337212 1300633306 /nfs/dbraw/zinc/63/33/06/1300633306.db2.gz MAJGQGVGGCZVTO-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337212 1300633314 /nfs/dbraw/zinc/63/33/14/1300633314.db2.gz MAJGQGVGGCZVTO-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133120 1313703554 /nfs/dbraw/zinc/70/35/54/1313703554.db2.gz SCAWFRCZYSRMAR-KDURUIRLSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358272 1300681391 /nfs/dbraw/zinc/68/13/91/1300681391.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358272 1300681394 /nfs/dbraw/zinc/68/13/94/1300681394.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358272 1300681399 /nfs/dbraw/zinc/68/13/99/1300681399.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547298 1313713277 /nfs/dbraw/zinc/71/32/77/1313713277.db2.gz RVNFNVUJOONNKF-KURKYZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547298 1313713279 /nfs/dbraw/zinc/71/32/79/1313713279.db2.gz RVNFNVUJOONNKF-KURKYZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383998 1300740277 /nfs/dbraw/zinc/74/02/77/1300740277.db2.gz PUNBBDGINUEKMZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383996 1300740644 /nfs/dbraw/zinc/74/06/44/1300740644.db2.gz PUNBBDGINUEKMZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383999 1300741562 /nfs/dbraw/zinc/74/15/62/1300741562.db2.gz PUNBBDGINUEKMZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417611 1300811049 /nfs/dbraw/zinc/81/10/49/1300811049.db2.gz ORONCXKXYMVXPL-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417627 1300811295 /nfs/dbraw/zinc/81/12/95/1300811295.db2.gz PBMXYXFJSPVYAD-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417627 1300811314 /nfs/dbraw/zinc/81/13/14/1300811314.db2.gz PBMXYXFJSPVYAD-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429140 1300835243 /nfs/dbraw/zinc/83/52/43/1300835243.db2.gz OOINNFYIRYFHQA-VQTJNVASSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176919 1313728269 /nfs/dbraw/zinc/72/82/69/1313728269.db2.gz SMUGCUGJXSVPIH-ZSYWTGECSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104656 1313760761 /nfs/dbraw/zinc/76/07/61/1313760761.db2.gz NOQFAXBJIJKGRL-UXHICEINSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104656 1313760763 /nfs/dbraw/zinc/76/07/63/1313760763.db2.gz NOQFAXBJIJKGRL-UXHICEINSA-N 2 1 341.455 2.908 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963946650 1301504596 /nfs/dbraw/zinc/50/45/96/1301504596.db2.gz ISCLMOLWUJJHRR-CRIYYSNOSA-N 2 1 348.878 2.530 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202502229 1301643829 /nfs/dbraw/zinc/64/38/29/1301643829.db2.gz BMJVJHSZXPKCGN-LJQANCHMSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988124 1313818299 /nfs/dbraw/zinc/81/82/99/1313818299.db2.gz FPWLSKSRUYQFAC-RVKKMQEKSA-N 2 1 326.444 2.739 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074712 1313835678 /nfs/dbraw/zinc/83/56/78/1313835678.db2.gz KYFAKFFELRGGRI-KURKYZTESA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079453 1313841274 /nfs/dbraw/zinc/84/12/74/1313841274.db2.gz KCKQEGVXIWTYFQ-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079453 1313841276 /nfs/dbraw/zinc/84/12/76/1313841276.db2.gz KCKQEGVXIWTYFQ-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079453 1313841280 /nfs/dbraw/zinc/84/12/80/1313841280.db2.gz KCKQEGVXIWTYFQ-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP CCCCCCCCCCS(=O)(=O)NCCC[N@@H+](C)CCC[NH3+] ZINC001238615113 1313846102 /nfs/dbraw/zinc/84/61/02/1313846102.db2.gz QLNACOYJMFUVJE-UHFFFAOYSA-N 2 1 349.585 2.717 20 30 EFEDMP C=CCOCc1ncn2c1C[N@@H+](CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208106301 1313848425 /nfs/dbraw/zinc/84/84/25/1313848425.db2.gz BXEMBVFZBLVCEA-UHFFFAOYSA-N 2 1 332.492 2.523 20 30 EFEDMP CCc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)ccc1C#N ZINC001238763098 1313864631 /nfs/dbraw/zinc/86/46/31/1313864631.db2.gz PUZNRMWXWKVWKN-UHFFFAOYSA-N 2 1 326.444 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619180 1303038878 /nfs/dbraw/zinc/03/88/78/1303038878.db2.gz ROGLVACONZHMRH-YRXWBPOGSA-N 2 1 347.547 2.900 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114618783 1303047848 /nfs/dbraw/zinc/04/78/48/1303047848.db2.gz KYTFOMLNSYZAFR-NMLBUPMWSA-N 2 1 347.547 2.878 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424076 1303179945 /nfs/dbraw/zinc/17/99/45/1303179945.db2.gz GTKSSEOBBIESEE-INFDXNDLSA-N 2 1 331.504 2.596 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334076 1313902145 /nfs/dbraw/zinc/90/21/45/1313902145.db2.gz FCTKKRYQHLLCLY-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000965813430 1303324324 /nfs/dbraw/zinc/32/43/24/1303324324.db2.gz FOPXTBTZVOXVJP-QAELIBMJSA-N 2 1 333.520 2.844 20 30 EFEDMP CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239238310 1313918886 /nfs/dbraw/zinc/91/88/86/1313918886.db2.gz FLFUACDPEVVDGT-IRXDYDNUSA-N 2 1 338.540 2.861 20 30 EFEDMP CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239238310 1313918888 /nfs/dbraw/zinc/91/88/88/1313918888.db2.gz FLFUACDPEVVDGT-IRXDYDNUSA-N 2 1 338.540 2.861 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114403095 1303870689 /nfs/dbraw/zinc/87/06/89/1303870689.db2.gz NBBKGYTWOIUVHB-MJQMVNBJSA-N 2 1 342.487 2.553 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114403095 1303870694 /nfs/dbraw/zinc/87/06/94/1303870694.db2.gz NBBKGYTWOIUVHB-MJQMVNBJSA-N 2 1 342.487 2.553 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485976 1304009253 /nfs/dbraw/zinc/00/92/53/1304009253.db2.gz BXTOSRYQXALKGF-GOEBONIOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485976 1304009258 /nfs/dbraw/zinc/00/92/58/1304009258.db2.gz BXTOSRYQXALKGF-GOEBONIOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596636 1313971792 /nfs/dbraw/zinc/97/17/92/1313971792.db2.gz WEOOKSNPCDJKLU-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208606036 1313976545 /nfs/dbraw/zinc/97/65/45/1313976545.db2.gz ZMQZGKLXEMCBKQ-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208604583 1313975421 /nfs/dbraw/zinc/97/54/21/1313975421.db2.gz QVYLYEJUQAWPHH-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208760164 1314010357 /nfs/dbraw/zinc/01/03/57/1314010357.db2.gz XJZYUVKJOBGZNC-INIZCTEOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403702 1304951652 /nfs/dbraw/zinc/95/16/52/1304951652.db2.gz ZIABOZBLBFMEAL-AEFFLSMTSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403702 1304951654 /nfs/dbraw/zinc/95/16/54/1304951654.db2.gz ZIABOZBLBFMEAL-AEFFLSMTSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403702 1304951658 /nfs/dbraw/zinc/95/16/58/1304951658.db2.gz ZIABOZBLBFMEAL-AEFFLSMTSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403705 1304952007 /nfs/dbraw/zinc/95/20/07/1304952007.db2.gz ZIABOZBLBFMEAL-WMZOPIPTSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403705 1304952013 /nfs/dbraw/zinc/95/20/13/1304952013.db2.gz ZIABOZBLBFMEAL-WMZOPIPTSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403705 1304952020 /nfs/dbraw/zinc/95/20/20/1304952020.db2.gz ZIABOZBLBFMEAL-WMZOPIPTSA-N 2 1 344.503 2.555 20 30 EFEDMP N#Cc1ccc(CCC[N@H+]2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208859360 1314031487 /nfs/dbraw/zinc/03/14/87/1314031487.db2.gz PUXOCLUVUQGLNN-UHFFFAOYSA-N 2 1 347.422 2.782 20 30 EFEDMP N#Cc1ccc(CCCN2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208859360 1314031490 /nfs/dbraw/zinc/03/14/90/1314031490.db2.gz PUXOCLUVUQGLNN-UHFFFAOYSA-N 2 1 347.422 2.782 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cc1C#N ZINC001276607976 1314070086 /nfs/dbraw/zinc/07/00/86/1314070086.db2.gz IOKQKAQEMOQOKZ-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc1C#N ZINC001276607976 1314070090 /nfs/dbraw/zinc/07/00/90/1314070090.db2.gz IOKQKAQEMOQOKZ-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc1C#N ZINC001276607976 1314070094 /nfs/dbraw/zinc/07/00/94/1314070094.db2.gz IOKQKAQEMOQOKZ-HDICACEKSA-N 2 1 326.488 2.983 20 30 EFEDMP C=CCN(CC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1)C(=O)OCC ZINC001209017881 1314071042 /nfs/dbraw/zinc/07/10/42/1314071042.db2.gz AWLVDIANWARFSQ-UHFFFAOYSA-N 2 1 346.475 2.573 20 30 EFEDMP CCCCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021074 1314567736 /nfs/dbraw/zinc/56/77/36/1314567736.db2.gz LDGHFJAOBYIXEJ-IPMKNSEASA-N 2 1 328.541 2.910 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376789 1306213700 /nfs/dbraw/zinc/21/37/00/1306213700.db2.gz BLTSQDMQIJYDCF-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376789 1306213707 /nfs/dbraw/zinc/21/37/07/1306213707.db2.gz BLTSQDMQIJYDCF-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209200923 1314114159 /nfs/dbraw/zinc/11/41/59/1314114159.db2.gz QIPKGUGLNSJETR-AABGKKOBSA-N 2 1 343.519 2.809 20 30 EFEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001209200923 1314114161 /nfs/dbraw/zinc/11/41/61/1314114161.db2.gz QIPKGUGLNSJETR-AABGKKOBSA-N 2 1 343.519 2.809 20 30 EFEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001209200923 1314114164 /nfs/dbraw/zinc/11/41/64/1314114164.db2.gz QIPKGUGLNSJETR-AABGKKOBSA-N 2 1 343.519 2.809 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419530 1306290219 /nfs/dbraw/zinc/29/02/19/1306290219.db2.gz USGQTWFCRBUGML-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525364 1306431498 /nfs/dbraw/zinc/43/14/98/1306431498.db2.gz QGCKNFMVBGVJTQ-APWZRJJASA-N 2 1 333.520 2.511 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690711 1306571061 /nfs/dbraw/zinc/57/10/61/1306571061.db2.gz ARVXCNHMFCRRMU-FUHWJXTLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690895 1306571440 /nfs/dbraw/zinc/57/14/40/1306571440.db2.gz BKGDHHLZWVREMA-NVXWUHKLSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968887534 1306760674 /nfs/dbraw/zinc/76/06/74/1306760674.db2.gz HFRPOQLPCUKHOY-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887534 1306760677 /nfs/dbraw/zinc/76/06/77/1306760677.db2.gz HFRPOQLPCUKHOY-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887534 1306760679 /nfs/dbraw/zinc/76/06/79/1306760679.db2.gz HFRPOQLPCUKHOY-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001209351708 1314145616 /nfs/dbraw/zinc/14/56/16/1314145616.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209351708 1314145619 /nfs/dbraw/zinc/14/56/19/1314145619.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209351708 1314145622 /nfs/dbraw/zinc/14/56/22/1314145622.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 1 332.492 2.771 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888743 1306764125 /nfs/dbraw/zinc/76/41/25/1306764125.db2.gz ZACCGSLFZFAIBH-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888743 1306764116 /nfs/dbraw/zinc/76/41/16/1306764116.db2.gz ZACCGSLFZFAIBH-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888743 1306764121 /nfs/dbraw/zinc/76/41/21/1306764121.db2.gz ZACCGSLFZFAIBH-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914237 1306788116 /nfs/dbraw/zinc/78/81/16/1306788116.db2.gz PWQBAUAVRKDHPA-GOSISDBHSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936757 1306816218 /nfs/dbraw/zinc/81/62/18/1306816218.db2.gz PNFXLWFEEFXSCO-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004798 1306879508 /nfs/dbraw/zinc/87/95/08/1306879508.db2.gz CPIFQHJFJLUFKZ-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004798 1306879511 /nfs/dbraw/zinc/87/95/11/1306879511.db2.gz CPIFQHJFJLUFKZ-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059387 1306933444 /nfs/dbraw/zinc/93/34/44/1306933444.db2.gz LQOWQXMCEXHXAR-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059387 1306933449 /nfs/dbraw/zinc/93/34/49/1306933449.db2.gz LQOWQXMCEXHXAR-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059387 1306933453 /nfs/dbraw/zinc/93/34/53/1306933453.db2.gz LQOWQXMCEXHXAR-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209449788 1314164887 /nfs/dbraw/zinc/16/48/87/1314164887.db2.gz LFFYBOSGQOJHOJ-HXUWFJFHSA-N 2 1 333.520 2.896 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489192 1314172412 /nfs/dbraw/zinc/17/24/12/1314172412.db2.gz ZARBWZPFNGVQLA-SOLBZPMBSA-N 2 1 332.492 2.763 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489192 1314172414 /nfs/dbraw/zinc/17/24/14/1314172414.db2.gz ZARBWZPFNGVQLA-SOLBZPMBSA-N 2 1 332.492 2.763 20 30 EFEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441988 1307341483 /nfs/dbraw/zinc/34/14/83/1307341483.db2.gz OUPZKOFDNTYYAL-SFHVURJKSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045475873 1307365263 /nfs/dbraw/zinc/36/52/63/1307365263.db2.gz VAXYAZOQYYWUMP-ZWKOTPCHSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045478926 1307369033 /nfs/dbraw/zinc/36/90/33/1307369033.db2.gz JMAOALHWXUBHRU-CVEARBPZSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045478926 1307369037 /nfs/dbraw/zinc/36/90/37/1307369037.db2.gz JMAOALHWXUBHRU-CVEARBPZSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045478927 1307369086 /nfs/dbraw/zinc/36/90/86/1307369086.db2.gz JMAOALHWXUBHRU-HOTGVXAUSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045478927 1307369091 /nfs/dbraw/zinc/36/90/91/1307369091.db2.gz JMAOALHWXUBHRU-HOTGVXAUSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045482124 1307371602 /nfs/dbraw/zinc/37/16/02/1307371602.db2.gz DIAXEMFSSAREJK-UHFFFAOYSA-N 2 1 346.862 2.980 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343796 1307380231 /nfs/dbraw/zinc/38/02/31/1307380231.db2.gz OHNOQRCZGPCWPB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007343796 1307380234 /nfs/dbraw/zinc/38/02/34/1307380234.db2.gz OHNOQRCZGPCWPB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007343796 1307380237 /nfs/dbraw/zinc/38/02/37/1307380237.db2.gz OHNOQRCZGPCWPB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045536726 1307411006 /nfs/dbraw/zinc/41/10/06/1307411006.db2.gz CONCHQWOVQWXKB-KRWDZBQOSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007435521 1307434366 /nfs/dbraw/zinc/43/43/66/1307434366.db2.gz AZEKGSKSFSPXES-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007435521 1307434367 /nfs/dbraw/zinc/43/43/67/1307434367.db2.gz AZEKGSKSFSPXES-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498188 1307471778 /nfs/dbraw/zinc/47/17/78/1307471778.db2.gz ISUVXRXRKJFELU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498188 1307471781 /nfs/dbraw/zinc/47/17/81/1307471781.db2.gz ISUVXRXRKJFELU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498188 1307471786 /nfs/dbraw/zinc/47/17/86/1307471786.db2.gz ISUVXRXRKJFELU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498191 1307471934 /nfs/dbraw/zinc/47/19/34/1307471934.db2.gz ISUVXRXRKJFELU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498191 1307471937 /nfs/dbraw/zinc/47/19/37/1307471937.db2.gz ISUVXRXRKJFELU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498191 1307471939 /nfs/dbraw/zinc/47/19/39/1307471939.db2.gz ISUVXRXRKJFELU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454123 1314196917 /nfs/dbraw/zinc/19/69/17/1314196917.db2.gz MHEGTPVDQGDVMB-MANSERQUSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640409 1314205925 /nfs/dbraw/zinc/20/59/25/1314205925.db2.gz BXXFSUACQFIEPF-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278201 1307956155 /nfs/dbraw/zinc/95/61/55/1307956155.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278201 1307956158 /nfs/dbraw/zinc/95/61/58/1307956158.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278201 1307956162 /nfs/dbraw/zinc/95/61/62/1307956162.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943065 1307956770 /nfs/dbraw/zinc/95/67/70/1307956770.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045943065 1307956773 /nfs/dbraw/zinc/95/67/73/1307956773.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045943065 1307956777 /nfs/dbraw/zinc/95/67/77/1307956777.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948726 1307974304 /nfs/dbraw/zinc/97/43/04/1307974304.db2.gz QLVVLBXJQYSASA-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948726 1307974307 /nfs/dbraw/zinc/97/43/07/1307974307.db2.gz QLVVLBXJQYSASA-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948726 1307974310 /nfs/dbraw/zinc/97/43/10/1307974310.db2.gz QLVVLBXJQYSASA-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965355 1308017793 /nfs/dbraw/zinc/01/77/93/1308017793.db2.gz GMAGPLFNLZCSDJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965356 1308018206 /nfs/dbraw/zinc/01/82/06/1308018206.db2.gz GMAGPLFNLZCSDJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985348 1308084059 /nfs/dbraw/zinc/08/40/59/1308084059.db2.gz RYPMXCZTSWBDMV-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985348 1308084063 /nfs/dbraw/zinc/08/40/63/1308084063.db2.gz RYPMXCZTSWBDMV-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985348 1308084069 /nfs/dbraw/zinc/08/40/69/1308084069.db2.gz RYPMXCZTSWBDMV-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510440 1308125420 /nfs/dbraw/zinc/12/54/20/1308125420.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008510440 1308125424 /nfs/dbraw/zinc/12/54/24/1308125424.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008510440 1308125427 /nfs/dbraw/zinc/12/54/27/1308125427.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319397 1308536424 /nfs/dbraw/zinc/53/64/24/1308536424.db2.gz RHCDLIBAPLGFFI-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319397 1308536427 /nfs/dbraw/zinc/53/64/27/1308536427.db2.gz RHCDLIBAPLGFFI-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319397 1308536429 /nfs/dbraw/zinc/53/64/29/1308536429.db2.gz RHCDLIBAPLGFFI-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319394 1308536775 /nfs/dbraw/zinc/53/67/75/1308536775.db2.gz RHCDLIBAPLGFFI-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319394 1308536779 /nfs/dbraw/zinc/53/67/79/1308536779.db2.gz RHCDLIBAPLGFFI-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319394 1308536784 /nfs/dbraw/zinc/53/67/84/1308536784.db2.gz RHCDLIBAPLGFFI-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1C#N ZINC001413200120 1308626493 /nfs/dbraw/zinc/62/64/93/1308626493.db2.gz CHTWEJXPJVJWMK-KRWDZBQOSA-N 2 1 332.467 2.545 20 30 EFEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046617989 1308936843 /nfs/dbraw/zinc/93/68/43/1308936843.db2.gz BFHICWONEIPXFB-FQEVSTJZSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133377 1314285566 /nfs/dbraw/zinc/28/55/66/1314285566.db2.gz OFIKLIUUXPWLBT-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210212765 1314295423 /nfs/dbraw/zinc/29/54/23/1314295423.db2.gz AQUXYHBQRCBTBP-QFUCXCTJSA-N 2 1 343.515 2.866 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210212765 1314295426 /nfs/dbraw/zinc/29/54/26/1314295426.db2.gz AQUXYHBQRCBTBP-QFUCXCTJSA-N 2 1 343.515 2.866 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210242906 1314300166 /nfs/dbraw/zinc/30/01/66/1314300166.db2.gz CEUUEXAXSVMZPL-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210242906 1314300170 /nfs/dbraw/zinc/30/01/70/1314300170.db2.gz CEUUEXAXSVMZPL-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210242906 1314300173 /nfs/dbraw/zinc/30/01/73/1314300173.db2.gz CEUUEXAXSVMZPL-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210242906 1314300176 /nfs/dbraw/zinc/30/01/76/1314300176.db2.gz CEUUEXAXSVMZPL-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243681 1314300608 /nfs/dbraw/zinc/30/06/08/1314300608.db2.gz ODDBTRFDZIWERV-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243681 1314300612 /nfs/dbraw/zinc/30/06/12/1314300612.db2.gz ODDBTRFDZIWERV-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243681 1314300616 /nfs/dbraw/zinc/30/06/16/1314300616.db2.gz ODDBTRFDZIWERV-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243681 1314300618 /nfs/dbraw/zinc/30/06/18/1314300618.db2.gz ODDBTRFDZIWERV-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760879 1309288578 /nfs/dbraw/zinc/28/85/78/1309288578.db2.gz NXVXYZSQWIOUHW-HXUWFJFHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712155 1314318310 /nfs/dbraw/zinc/31/83/10/1314318310.db2.gz GEVIYZAUQHKCTO-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712155 1314318312 /nfs/dbraw/zinc/31/83/12/1314318312.db2.gz GEVIYZAUQHKCTO-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853239 1309526563 /nfs/dbraw/zinc/52/65/63/1309526563.db2.gz UPTQTGVHPOGKAJ-HXUWFJFHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864114 1309558803 /nfs/dbraw/zinc/55/88/03/1309558803.db2.gz ONTNIXGKKWJRCI-LJQANCHMSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001046946111 1309736409 /nfs/dbraw/zinc/73/64/09/1309736409.db2.gz SJXMXEYACUNNJB-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946111 1309736413 /nfs/dbraw/zinc/73/64/13/1309736413.db2.gz SJXMXEYACUNNJB-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946111 1309736420 /nfs/dbraw/zinc/73/64/20/1309736420.db2.gz SJXMXEYACUNNJB-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001046977833 1309826345 /nfs/dbraw/zinc/82/63/45/1309826345.db2.gz MRVFJKGZQQLLIK-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977833 1309826353 /nfs/dbraw/zinc/82/63/53/1309826353.db2.gz MRVFJKGZQQLLIK-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977833 1309826359 /nfs/dbraw/zinc/82/63/59/1309826359.db2.gz MRVFJKGZQQLLIK-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046995348 1309881628 /nfs/dbraw/zinc/88/16/28/1309881628.db2.gz OQWJOUBXGWZTSK-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046995348 1309881635 /nfs/dbraw/zinc/88/16/35/1309881635.db2.gz OQWJOUBXGWZTSK-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046995348 1309881648 /nfs/dbraw/zinc/88/16/48/1309881648.db2.gz OQWJOUBXGWZTSK-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCc1cccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001276685345 1314342789 /nfs/dbraw/zinc/34/27/89/1314342789.db2.gz ZAPIZFJCEQEQNN-UHFFFAOYSA-N 2 1 343.515 2.580 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225410 1310351749 /nfs/dbraw/zinc/35/17/49/1310351749.db2.gz DIQLOBUXPQPSFV-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240495 1310389109 /nfs/dbraw/zinc/38/91/09/1310389109.db2.gz DOVUAVIVBROJQO-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047244677 1310401894 /nfs/dbraw/zinc/40/18/94/1310401894.db2.gz UMTJUFJXUHGOHS-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256814 1310431633 /nfs/dbraw/zinc/43/16/33/1310431633.db2.gz OCSGCAXJMLLAOZ-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257020 1310431898 /nfs/dbraw/zinc/43/18/98/1310431898.db2.gz OLXSOUWOQMJTMN-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265384 1310457892 /nfs/dbraw/zinc/45/78/92/1310457892.db2.gz ZBQLHHSEOZOAIR-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266215 1310460497 /nfs/dbraw/zinc/46/04/97/1310460497.db2.gz TUCWCMIHYDVHSR-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671548 1311010169 /nfs/dbraw/zinc/01/01/69/1311010169.db2.gz BIHPYDIIEKUIBG-SZVBFZGTSA-N 2 1 338.455 2.835 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001221761892 1311027319 /nfs/dbraw/zinc/02/73/19/1311027319.db2.gz HHXXXRMRKDRWRZ-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761892 1311027321 /nfs/dbraw/zinc/02/73/21/1311027321.db2.gz HHXXXRMRKDRWRZ-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761892 1311027325 /nfs/dbraw/zinc/02/73/25/1311027325.db2.gz HHXXXRMRKDRWRZ-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814853 1311036870 /nfs/dbraw/zinc/03/68/70/1311036870.db2.gz GMISJHMRCWONSB-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814853 1311036875 /nfs/dbraw/zinc/03/68/75/1311036875.db2.gz GMISJHMRCWONSB-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814853 1311036876 /nfs/dbraw/zinc/03/68/76/1311036876.db2.gz GMISJHMRCWONSB-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871091 1311046127 /nfs/dbraw/zinc/04/61/27/1311046127.db2.gz WWTXNGDXZRTCMS-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221942521 1311057966 /nfs/dbraw/zinc/05/79/66/1311057966.db2.gz OHENQPURVFOBHY-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950288 1311058903 /nfs/dbraw/zinc/05/89/03/1311058903.db2.gz ZZTIHSKMVKJLNK-QZTJIDSGSA-N 2 1 333.520 2.585 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027032 1311070103 /nfs/dbraw/zinc/07/01/03/1311070103.db2.gz ITDCSSKKXKYXKI-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046525 1311073531 /nfs/dbraw/zinc/07/35/31/1311073531.db2.gz JAKGSDQCARVJPC-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042741 1311073636 /nfs/dbraw/zinc/07/36/36/1311073636.db2.gz IVIBBXGSTDATEU-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340723 1311088268 /nfs/dbraw/zinc/08/82/68/1311088268.db2.gz XNFIPQWDKVIWJI-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340723 1311088271 /nfs/dbraw/zinc/08/82/71/1311088271.db2.gz XNFIPQWDKVIWJI-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C(=O)OCC ZINC001222160598 1311093200 /nfs/dbraw/zinc/09/32/00/1311093200.db2.gz GPJGVZITLCKUGB-IBGZPJMESA-N 2 1 337.508 2.877 20 30 EFEDMP N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2c1 ZINC001222172484 1311094838 /nfs/dbraw/zinc/09/48/38/1311094838.db2.gz LJNLOPSPWPBIOV-HXUWFJFHSA-N 2 1 337.471 2.952 20 30 EFEDMP N#Cc1ccn2ncc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2c1 ZINC001222172484 1311094841 /nfs/dbraw/zinc/09/48/41/1311094841.db2.gz LJNLOPSPWPBIOV-HXUWFJFHSA-N 2 1 337.471 2.952 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491140 1311097992 /nfs/dbraw/zinc/09/79/92/1311097992.db2.gz YTSVOENSMPSAOP-RDGPPVDQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548204 1311101719 /nfs/dbraw/zinc/10/17/19/1311101719.db2.gz RLSCFPOKXMKQQN-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548204 1311101721 /nfs/dbraw/zinc/10/17/21/1311101721.db2.gz RLSCFPOKXMKQQN-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548204 1311101723 /nfs/dbraw/zinc/10/17/23/1311101723.db2.gz RLSCFPOKXMKQQN-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222265806 1311107526 /nfs/dbraw/zinc/10/75/26/1311107526.db2.gz ZLVGCSZONBIYNM-HXUWFJFHSA-N 2 1 328.456 2.673 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222265806 1311107528 /nfs/dbraw/zinc/10/75/28/1311107528.db2.gz ZLVGCSZONBIYNM-HXUWFJFHSA-N 2 1 328.456 2.673 20 30 EFEDMP N#Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccc1Br ZINC001222548377 1311150815 /nfs/dbraw/zinc/15/08/15/1311150815.db2.gz JBLXBTVWCPJUMZ-UHFFFAOYSA-N 2 1 326.213 2.584 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707733 1311175741 /nfs/dbraw/zinc/17/57/41/1311175741.db2.gz JMTZGNWHOOIAHM-WTGUMLROSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707733 1311175742 /nfs/dbraw/zinc/17/57/42/1311175742.db2.gz JMTZGNWHOOIAHM-WTGUMLROSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707733 1311175745 /nfs/dbraw/zinc/17/57/45/1311175745.db2.gz JMTZGNWHOOIAHM-WTGUMLROSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891181 1311195318 /nfs/dbraw/zinc/19/53/18/1311195318.db2.gz AKCGMODLOPPKSQ-KURKYZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891181 1311195320 /nfs/dbraw/zinc/19/53/20/1311195320.db2.gz AKCGMODLOPPKSQ-KURKYZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891181 1311195323 /nfs/dbraw/zinc/19/53/23/1311195323.db2.gz AKCGMODLOPPKSQ-KURKYZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223192794 1311228434 /nfs/dbraw/zinc/22/84/34/1311228434.db2.gz JNENQKANQDVEEU-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223192794 1311228436 /nfs/dbraw/zinc/22/84/36/1311228436.db2.gz JNENQKANQDVEEU-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223192794 1311228437 /nfs/dbraw/zinc/22/84/37/1311228437.db2.gz JNENQKANQDVEEU-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313610 1311232397 /nfs/dbraw/zinc/23/23/97/1311232397.db2.gz GFSAQVKFVTZQLG-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402358 1311238556 /nfs/dbraw/zinc/23/85/56/1311238556.db2.gz FGXOZBOICHZYIR-ZVDOUQERSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001223329577 1311245056 /nfs/dbraw/zinc/24/50/56/1311245056.db2.gz MEVZAPLCLAKMEO-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001223329577 1311245059 /nfs/dbraw/zinc/24/50/59/1311245059.db2.gz MEVZAPLCLAKMEO-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001223329577 1311245062 /nfs/dbraw/zinc/24/50/62/1311245062.db2.gz MEVZAPLCLAKMEO-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001101552422 1311249105 /nfs/dbraw/zinc/24/91/05/1311249105.db2.gz DYRGNIAQFLWUDQ-LJQANCHMSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387637 1311253753 /nfs/dbraw/zinc/25/37/53/1311253753.db2.gz KHHWMWHORWUOOI-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102112897 1311283805 /nfs/dbraw/zinc/28/38/05/1311283805.db2.gz LNYVDBLBFUTMRB-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112897 1311283808 /nfs/dbraw/zinc/28/38/08/1311283808.db2.gz LNYVDBLBFUTMRB-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112897 1311283811 /nfs/dbraw/zinc/28/38/11/1311283811.db2.gz LNYVDBLBFUTMRB-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001223693829 1311293108 /nfs/dbraw/zinc/29/31/08/1311293108.db2.gz HNXAIKLDMYPCIY-IBGZPJMESA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223901301 1311318882 /nfs/dbraw/zinc/31/88/82/1311318882.db2.gz VRQIQMAOJUZYEP-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223901301 1311318885 /nfs/dbraw/zinc/31/88/85/1311318885.db2.gz VRQIQMAOJUZYEP-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901301 1311318888 /nfs/dbraw/zinc/31/88/88/1311318888.db2.gz VRQIQMAOJUZYEP-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901301 1311318889 /nfs/dbraw/zinc/31/88/89/1311318889.db2.gz VRQIQMAOJUZYEP-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223938443 1311323551 /nfs/dbraw/zinc/32/35/51/1311323551.db2.gz YGDLKBAPYFOBAJ-UHFFFAOYSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426657 1311358030 /nfs/dbraw/zinc/35/80/30/1311358030.db2.gz HLDNYKLQOHBZLZ-DJIMGWMZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224232766 1311363933 /nfs/dbraw/zinc/36/39/33/1311363933.db2.gz FYRIYOCMJCXAFE-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224232766 1311363936 /nfs/dbraw/zinc/36/39/36/1311363936.db2.gz FYRIYOCMJCXAFE-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001224248000 1311366069 /nfs/dbraw/zinc/36/60/69/1311366069.db2.gz DYNGQGMZTUXZOY-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546934 1311405589 /nfs/dbraw/zinc/40/55/89/1311405589.db2.gz SVSJNUXVAGRIJP-PKOBYXMFSA-N 2 1 337.552 2.983 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224560763 1311407488 /nfs/dbraw/zinc/40/74/88/1311407488.db2.gz WXVCOXOKCBYEHE-IBGZPJMESA-N 2 1 339.499 2.603 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224569861 1311408569 /nfs/dbraw/zinc/40/85/69/1311408569.db2.gz QKZMYWWVDMTLRF-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796259 1311435977 /nfs/dbraw/zinc/43/59/77/1311435977.db2.gz OSEDKSMEUAAJIH-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826001 1311439708 /nfs/dbraw/zinc/43/97/08/1311439708.db2.gz NSBSTGHMQFOCOL-LEZSPFLNSA-N 2 1 342.483 2.528 20 30 EFEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826001 1311439712 /nfs/dbraw/zinc/43/97/12/1311439712.db2.gz NSBSTGHMQFOCOL-LEZSPFLNSA-N 2 1 342.483 2.528 20 30 EFEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826001 1311439716 /nfs/dbraw/zinc/43/97/16/1311439716.db2.gz NSBSTGHMQFOCOL-LEZSPFLNSA-N 2 1 342.483 2.528 20 30 EFEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224826001 1311439720 /nfs/dbraw/zinc/43/97/20/1311439720.db2.gz NSBSTGHMQFOCOL-LEZSPFLNSA-N 2 1 342.483 2.528 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434303 1311514011 /nfs/dbraw/zinc/51/40/11/1311514011.db2.gz LSSUHQHZSMTZBH-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434303 1311514013 /nfs/dbraw/zinc/51/40/13/1311514013.db2.gz LSSUHQHZSMTZBH-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434303 1311514015 /nfs/dbraw/zinc/51/40/15/1311514015.db2.gz LSSUHQHZSMTZBH-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225442474 1311524725 /nfs/dbraw/zinc/52/47/25/1311524725.db2.gz KVIIYQLENMFUGC-UHFFFAOYSA-N 2 1 334.508 2.990 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267266 1311639437 /nfs/dbraw/zinc/63/94/37/1311639437.db2.gz DXMRNZFONNBTNW-MISYRCLQSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119993 1311647707 /nfs/dbraw/zinc/64/77/07/1311647707.db2.gz JDJUAJGJFDKACQ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119993 1311647710 /nfs/dbraw/zinc/64/77/10/1311647710.db2.gz JDJUAJGJFDKACQ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119993 1311647714 /nfs/dbraw/zinc/64/77/14/1311647714.db2.gz JDJUAJGJFDKACQ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131469 1311650725 /nfs/dbraw/zinc/65/07/25/1311650725.db2.gz MZQNWQTVGNLFCY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131469 1311650728 /nfs/dbraw/zinc/65/07/28/1311650728.db2.gz MZQNWQTVGNLFCY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131469 1311650732 /nfs/dbraw/zinc/65/07/32/1311650732.db2.gz MZQNWQTVGNLFCY-MOPGFXCFSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169211 1311658827 /nfs/dbraw/zinc/65/88/27/1311658827.db2.gz LEDKKQLXFPXPBP-MRXNPFEDSA-N 2 1 330.476 2.721 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169211 1311658830 /nfs/dbraw/zinc/65/88/30/1311658830.db2.gz LEDKKQLXFPXPBP-MRXNPFEDSA-N 2 1 330.476 2.721 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001160209874 1311665461 /nfs/dbraw/zinc/66/54/61/1311665461.db2.gz ZRJBKPMOLQBUOK-FQEVSTJZSA-N 2 1 341.499 2.504 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001160209874 1311665462 /nfs/dbraw/zinc/66/54/62/1311665462.db2.gz ZRJBKPMOLQBUOK-FQEVSTJZSA-N 2 1 341.499 2.504 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293050 1311682189 /nfs/dbraw/zinc/68/21/89/1311682189.db2.gz SJFVWBVWXIBBQT-UHFFFAOYSA-N 2 1 345.512 2.585 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360407 1311697044 /nfs/dbraw/zinc/69/70/44/1311697044.db2.gz QMIKORVAWTUDMW-VQIMIIECSA-N 2 1 333.520 2.820 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360855 1311697354 /nfs/dbraw/zinc/69/73/54/1311697354.db2.gz XMIFGZNNGPSEQJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360855 1311697356 /nfs/dbraw/zinc/69/73/56/1311697356.db2.gz XMIFGZNNGPSEQJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360855 1311697358 /nfs/dbraw/zinc/69/73/58/1311697358.db2.gz XMIFGZNNGPSEQJ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226773161 1311721175 /nfs/dbraw/zinc/72/11/75/1311721175.db2.gz DIYZKKSRUGJKIF-BRWVUGGUSA-N 2 1 330.476 2.744 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492661 1311721928 /nfs/dbraw/zinc/72/19/28/1311721928.db2.gz XYYGEKMQNAFLGU-UHFFFAOYSA-N 2 1 331.504 2.577 20 30 EFEDMP N#Cc1c(Cl)c2ccccc2nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160518497 1311725580 /nfs/dbraw/zinc/72/55/80/1311725580.db2.gz IEKVBILFAIOPDZ-GOSISDBHSA-N 2 1 341.846 2.595 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593403 1311743219 /nfs/dbraw/zinc/74/32/19/1311743219.db2.gz RIZKHMSLZMFQFF-UHFFFAOYSA-N 2 1 331.504 2.719 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787436 1311781347 /nfs/dbraw/zinc/78/13/47/1311781347.db2.gz NUUJUAMCRGDYMD-FQEVSTJZSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227544332 1311818824 /nfs/dbraw/zinc/81/88/24/1311818824.db2.gz WNUPRAYVDQTBGT-IAGOWNOFSA-N 2 1 344.503 2.745 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792681 1311856391 /nfs/dbraw/zinc/85/63/91/1311856391.db2.gz RKUDZXGVZNYYIH-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533047 1311871843 /nfs/dbraw/zinc/87/18/43/1311871843.db2.gz OFFJYAJEGADICB-MHORFTMASA-N 2 1 342.487 2.696 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533047 1311871846 /nfs/dbraw/zinc/87/18/46/1311871846.db2.gz OFFJYAJEGADICB-MHORFTMASA-N 2 1 342.487 2.696 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391237 1311876785 /nfs/dbraw/zinc/87/67/85/1311876785.db2.gz PFMIWVNCQQNVGJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391237 1311876788 /nfs/dbraw/zinc/87/67/88/1311876788.db2.gz PFMIWVNCQQNVGJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391237 1311876791 /nfs/dbraw/zinc/87/67/91/1311876791.db2.gz PFMIWVNCQQNVGJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048537451 1311876987 /nfs/dbraw/zinc/87/69/87/1311876987.db2.gz BJVOIFOKUCTUNX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048537451 1311876991 /nfs/dbraw/zinc/87/69/91/1311876991.db2.gz BJVOIFOKUCTUNX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048537451 1311876994 /nfs/dbraw/zinc/87/69/94/1311876994.db2.gz BJVOIFOKUCTUNX-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444236 1311891031 /nfs/dbraw/zinc/89/10/31/1311891031.db2.gz AEVGPEODKPMRMC-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444236 1311891033 /nfs/dbraw/zinc/89/10/33/1311891033.db2.gz AEVGPEODKPMRMC-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444236 1311891035 /nfs/dbraw/zinc/89/10/35/1311891035.db2.gz AEVGPEODKPMRMC-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444254 1311891089 /nfs/dbraw/zinc/89/10/89/1311891089.db2.gz AODRMYNOSGPCSO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444254 1311891091 /nfs/dbraw/zinc/89/10/91/1311891091.db2.gz AODRMYNOSGPCSO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444254 1311891093 /nfs/dbraw/zinc/89/10/93/1311891093.db2.gz AODRMYNOSGPCSO-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP N#Cc1c[nH]c2cc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c12 ZINC001161495472 1311900228 /nfs/dbraw/zinc/90/02/28/1311900228.db2.gz QCQSZUCKBHKALJ-UHFFFAOYSA-N 2 1 332.411 2.606 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556440 1311900522 /nfs/dbraw/zinc/90/05/22/1311900522.db2.gz GZUVTUMKHVPWKM-VBUUOAMHSA-N 2 1 345.487 2.890 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001228115139 1311902318 /nfs/dbraw/zinc/90/23/18/1311902318.db2.gz YXRCRJVCOXJYHW-UHFFFAOYSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228115139 1311902322 /nfs/dbraw/zinc/90/23/22/1311902322.db2.gz YXRCRJVCOXJYHW-UHFFFAOYSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558024 1311903265 /nfs/dbraw/zinc/90/32/65/1311903265.db2.gz WCPOIGKVPUTIPO-AKHDSKFASA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558024 1311903267 /nfs/dbraw/zinc/90/32/67/1311903267.db2.gz WCPOIGKVPUTIPO-AKHDSKFASA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558024 1311903269 /nfs/dbraw/zinc/90/32/69/1311903269.db2.gz WCPOIGKVPUTIPO-AKHDSKFASA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621966 1311933712 /nfs/dbraw/zinc/93/37/12/1311933712.db2.gz HJVUOUZTNXZBMP-UHFFFAOYSA-N 2 1 333.520 2.821 20 30 EFEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001048584256 1311934269 /nfs/dbraw/zinc/93/42/69/1311934269.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001048584256 1311934272 /nfs/dbraw/zinc/93/42/72/1311934272.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001048584256 1311934274 /nfs/dbraw/zinc/93/42/74/1311934274.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048589968 1311941057 /nfs/dbraw/zinc/94/10/57/1311941057.db2.gz FIHLFNSBAMPJHV-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589968 1311941058 /nfs/dbraw/zinc/94/10/58/1311941058.db2.gz FIHLFNSBAMPJHV-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589968 1311941060 /nfs/dbraw/zinc/94/10/60/1311941060.db2.gz FIHLFNSBAMPJHV-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679293 1311948926 /nfs/dbraw/zinc/94/89/26/1311948926.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679293 1311948927 /nfs/dbraw/zinc/94/89/27/1311948927.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679293 1311948930 /nfs/dbraw/zinc/94/89/30/1311948930.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698714 1311953553 /nfs/dbraw/zinc/95/35/53/1311953553.db2.gz AQRCPJPWXGKLJC-MJGOQNOKSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161698714 1311953555 /nfs/dbraw/zinc/95/35/55/1311953555.db2.gz AQRCPJPWXGKLJC-MJGOQNOKSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161698714 1311953559 /nfs/dbraw/zinc/95/35/59/1311953559.db2.gz AQRCPJPWXGKLJC-MJGOQNOKSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716309 1311958765 /nfs/dbraw/zinc/95/87/65/1311958765.db2.gz MAERQTMGXRTUGX-KRWDZBQOSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723482 1311959729 /nfs/dbraw/zinc/95/97/29/1311959729.db2.gz QJLFZUWCMVZGKF-UHFFFAOYSA-N 2 1 342.487 2.866 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228640082 1311973915 /nfs/dbraw/zinc/97/39/15/1311973915.db2.gz PDRXIRRZUXBYNS-WOJBJXKFSA-N 2 1 343.515 2.754 20 30 EFEDMP N#Cc1ccc(-c2ccc(F)cc2)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161866974 1311990714 /nfs/dbraw/zinc/99/07/14/1311990714.db2.gz HTXYTFSEAZKWDQ-UHFFFAOYSA-N 2 1 339.418 2.594 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924964 1312004709 /nfs/dbraw/zinc/00/47/09/1312004709.db2.gz RGLWUXLDEVHJQO-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924964 1312004712 /nfs/dbraw/zinc/00/47/12/1312004712.db2.gz RGLWUXLDEVHJQO-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924964 1312004716 /nfs/dbraw/zinc/00/47/16/1312004716.db2.gz RGLWUXLDEVHJQO-HDICACEKSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924965 1312004860 /nfs/dbraw/zinc/00/48/60/1312004860.db2.gz RGLWUXLDEVHJQO-QZTJIDSGSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162747560 1312166498 /nfs/dbraw/zinc/16/64/98/1312166498.db2.gz ZUJIDKHFAOFRTF-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162810763 1312180953 /nfs/dbraw/zinc/18/09/53/1312180953.db2.gz OSGOWKBLZKIXLD-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C(=O)OC)C(C)(C)[NH3+])cc1 ZINC001162956668 1312211552 /nfs/dbraw/zinc/21/15/52/1312211552.db2.gz RHOYMOAOQUPIJG-IAGOWNOFSA-N 2 1 331.460 2.700 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230360145 1312229240 /nfs/dbraw/zinc/22/92/40/1312229240.db2.gz RNMYCFIHAIGGDW-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230367421 1312230309 /nfs/dbraw/zinc/23/03/09/1312230309.db2.gz XCPQFJLMAXOXEF-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001230438373 1312242717 /nfs/dbraw/zinc/24/27/17/1312242717.db2.gz MBJBVPUVHBFIRF-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001230438373 1312242719 /nfs/dbraw/zinc/24/27/19/1312242719.db2.gz MBJBVPUVHBFIRF-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001163160310 1312253688 /nfs/dbraw/zinc/25/36/88/1312253688.db2.gz SXXRVCPWCCTCQX-SXLOBPIMSA-N 2 1 327.472 2.657 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592181 1312277076 /nfs/dbraw/zinc/27/70/76/1312277076.db2.gz UJTYNKBNUYTBNI-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598555 1312278341 /nfs/dbraw/zinc/27/83/41/1312278341.db2.gz SIBWYQHQPZQOTA-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611746 1312283467 /nfs/dbraw/zinc/28/34/67/1312283467.db2.gz ZHWVXDOHOJINJG-VQTJNVASSA-N 2 1 347.547 2.689 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230617499 1312284973 /nfs/dbraw/zinc/28/49/73/1312284973.db2.gz BHQJHVIBSXFXFB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617499 1312284977 /nfs/dbraw/zinc/28/49/77/1312284977.db2.gz BHQJHVIBSXFXFB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617499 1312284980 /nfs/dbraw/zinc/28/49/80/1312284980.db2.gz BHQJHVIBSXFXFB-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619204 1312286820 /nfs/dbraw/zinc/28/68/20/1312286820.db2.gz WIMNPNBNRQHSSI-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230627111 1312288617 /nfs/dbraw/zinc/28/86/17/1312288617.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627111 1312288621 /nfs/dbraw/zinc/28/86/21/1312288621.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627111 1312288625 /nfs/dbraw/zinc/28/86/25/1312288625.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846325 1312369189 /nfs/dbraw/zinc/36/91/89/1312369189.db2.gz FPYXORCXZPTTGX-LJQANCHMSA-N 2 1 346.519 2.696 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097957 1312453496 /nfs/dbraw/zinc/45/34/96/1312453496.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097957 1312453498 /nfs/dbraw/zinc/45/34/98/1312453498.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097957 1312453501 /nfs/dbraw/zinc/45/35/01/1312453501.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540380 1312536308 /nfs/dbraw/zinc/53/63/08/1312536308.db2.gz JFDPXGUIHXGUDS-SFHVURJKSA-N 2 1 345.531 2.540 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001231654604 1312541736 /nfs/dbraw/zinc/54/17/36/1312541736.db2.gz AAIXWKSCQIMKNQ-UHFFFAOYSA-N 2 1 334.467 2.519 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015476 1312605832 /nfs/dbraw/zinc/60/58/32/1312605832.db2.gz XDRGQGWYJXOZRS-PKOBYXMFSA-N 2 1 327.428 2.889 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243919 1312621964 /nfs/dbraw/zinc/62/19/64/1312621964.db2.gz JBVSATJQTYEDTB-CALCHBBNSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485534 1312636735 /nfs/dbraw/zinc/63/67/35/1312636735.db2.gz YNHHSBJHGIWCCL-MRXNPFEDSA-N 2 1 330.476 2.603 20 30 EFEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277633148 1312654257 /nfs/dbraw/zinc/65/42/57/1312654257.db2.gz BJBYSFIRZHRDHT-UHFFFAOYSA-N 2 1 346.906 2.671 20 30 EFEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277633148 1312654259 /nfs/dbraw/zinc/65/42/59/1312654259.db2.gz BJBYSFIRZHRDHT-UHFFFAOYSA-N 2 1 346.906 2.671 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955317 1314516102 /nfs/dbraw/zinc/51/61/02/1314516102.db2.gz CXKPWASYAVQZJX-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955317 1314516105 /nfs/dbraw/zinc/51/61/05/1314516105.db2.gz CXKPWASYAVQZJX-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955317 1314516110 /nfs/dbraw/zinc/51/61/10/1314516110.db2.gz CXKPWASYAVQZJX-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965782 1314523744 /nfs/dbraw/zinc/52/37/44/1314523744.db2.gz APOMRUJDSSKDOH-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CC)CC2)C1 ZINC001052990894 1314547237 /nfs/dbraw/zinc/54/72/37/1314547237.db2.gz RFAPBEHQBKKGTP-HDICACEKSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CC)CC2)C1 ZINC001052990894 1314547242 /nfs/dbraw/zinc/54/72/42/1314547242.db2.gz RFAPBEHQBKKGTP-HDICACEKSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001052991001 1314547370 /nfs/dbraw/zinc/54/73/70/1314547370.db2.gz TWBQZQBDDZVQKO-WSTZPKSXSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001052991001 1314547374 /nfs/dbraw/zinc/54/73/74/1314547374.db2.gz TWBQZQBDDZVQKO-WSTZPKSXSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001052991000 1314547442 /nfs/dbraw/zinc/54/74/42/1314547442.db2.gz TWBQZQBDDZVQKO-NSHGMRRFSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001052991000 1314547446 /nfs/dbraw/zinc/54/74/46/1314547446.db2.gz TWBQZQBDDZVQKO-NSHGMRRFSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021847 1314567520 /nfs/dbraw/zinc/56/75/20/1314567520.db2.gz IBGNUWOAQKLKEY-AABGKKOBSA-N 2 1 339.568 2.904 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246022680 1314567619 /nfs/dbraw/zinc/56/76/19/1314567619.db2.gz ARTISPRPISHCIT-RTBURBONSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246022680 1314567625 /nfs/dbraw/zinc/56/76/25/1314567625.db2.gz ARTISPRPISHCIT-RTBURBONSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026976 1314568488 /nfs/dbraw/zinc/56/84/88/1314568488.db2.gz GRYARFGLSPMDOG-IBGZPJMESA-N 2 1 339.568 2.906 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246028056 1314569980 /nfs/dbraw/zinc/56/99/80/1314569980.db2.gz MCFMWPPANXYWTR-GUDVDZBRSA-N 2 1 326.525 2.798 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246028056 1314569984 /nfs/dbraw/zinc/56/99/84/1314569984.db2.gz MCFMWPPANXYWTR-GUDVDZBRSA-N 2 1 326.525 2.798 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246031859 1314570231 /nfs/dbraw/zinc/57/02/31/1314570231.db2.gz IZWFZUYDCDGWSA-JYJNAYRXSA-N 2 1 334.426 2.958 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246031859 1314570234 /nfs/dbraw/zinc/57/02/34/1314570234.db2.gz IZWFZUYDCDGWSA-JYJNAYRXSA-N 2 1 334.426 2.958 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246066001 1314577960 /nfs/dbraw/zinc/57/79/60/1314577960.db2.gz XUXMMJQIVWKXOL-BZSNNMDCSA-N 2 1 342.524 2.700 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027849 1314598570 /nfs/dbraw/zinc/59/85/70/1314598570.db2.gz IDGZCDOXMQFSDS-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246218031 1314598643 /nfs/dbraw/zinc/59/86/43/1314598643.db2.gz YQWUJAAFDLQHKZ-ZJOUEHCJSA-N 2 1 342.483 2.839 20 30 EFEDMP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246218030 1314598775 /nfs/dbraw/zinc/59/87/75/1314598775.db2.gz YQWUJAAFDLQHKZ-SVFBPWRDSA-N 2 1 342.483 2.839 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030020 1314604544 /nfs/dbraw/zinc/60/45/44/1314604544.db2.gz ZYAZJLJZUVRVFC-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001246302600 1314607788 /nfs/dbraw/zinc/60/77/88/1314607788.db2.gz DPAOZPUEDBOSJQ-YOEHRIQHSA-N 2 1 336.863 2.624 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001246304443 1314608441 /nfs/dbraw/zinc/60/84/41/1314608441.db2.gz NBJKYXHYHVKPAU-HOTGVXAUSA-N 2 1 334.485 2.520 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)cc(C#N)c21 ZINC001246330363 1314610606 /nfs/dbraw/zinc/61/06/06/1314610606.db2.gz YFUFUHNUTWBYSG-TYILLQQXSA-N 2 1 338.455 2.834 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623941 /nfs/dbraw/zinc/62/39/41/1314623941.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623945 /nfs/dbraw/zinc/62/39/45/1314623945.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623949 /nfs/dbraw/zinc/62/39/49/1314623949.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050167 1314636065 /nfs/dbraw/zinc/63/60/65/1314636065.db2.gz IAKYRYHQWDHDHK-MOPGFXCFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156483 1314640296 /nfs/dbraw/zinc/64/02/96/1314640296.db2.gz NKIAWNMOFNLLHD-BZUAXINKSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053127 1314642426 /nfs/dbraw/zinc/64/24/26/1314642426.db2.gz YWVJQBJDZMXYSO-RTBURBONSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246528718 1314642491 /nfs/dbraw/zinc/64/24/91/1314642491.db2.gz ZYHPRWOOIBMGFP-SJORKVTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053952 1314643452 /nfs/dbraw/zinc/64/34/52/1314643452.db2.gz FNPIIUONXXGASF-WOJBJXKFSA-N 2 1 347.547 2.999 20 30 EFEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246631413 1314661237 /nfs/dbraw/zinc/66/12/37/1314661237.db2.gz XDXVFQTVUGMRFO-YLJYHZDGSA-N 2 1 335.536 2.927 20 30 EFEDMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246791409 1314683512 /nfs/dbraw/zinc/68/35/12/1314683512.db2.gz OQADYPXCDVIRIK-OALUTQOASA-N 2 1 326.488 2.847 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094582 1314707021 /nfs/dbraw/zinc/70/70/21/1314707021.db2.gz GBNKHCYEHCKKHH-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCCC[C@H](CC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923724 1314708614 /nfs/dbraw/zinc/70/86/14/1314708614.db2.gz FOVAOAPHPQVKGH-SFHVURJKSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCCC[C@H](CC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923724 1314708615 /nfs/dbraw/zinc/70/86/15/1314708615.db2.gz FOVAOAPHPQVKGH-SFHVURJKSA-N 2 1 342.572 2.631 20 30 EFEDMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C#N)C2)c1 ZINC001246972864 1314719418 /nfs/dbraw/zinc/71/94/18/1314719418.db2.gz JWPJDLLTFDYAFG-LWYYNNOASA-N 2 1 326.488 2.711 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662160 1314723129 /nfs/dbraw/zinc/72/31/29/1314723129.db2.gz WMZTVGYRUMUAKL-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001247652159 1314815808 /nfs/dbraw/zinc/81/58/08/1314815808.db2.gz DBGCXXQVIVHBOE-GOSISDBHSA-N 2 1 347.422 2.912 20 30 EFEDMP C#CCOc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401788424 1314827678 /nfs/dbraw/zinc/82/76/78/1314827678.db2.gz VDJMDYMAHZTLDJ-UHFFFAOYSA-N 2 1 348.244 2.527 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387209 1314828212 /nfs/dbraw/zinc/82/82/12/1314828212.db2.gz JQBARXWTWKHZNZ-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215765926 1314876098 /nfs/dbraw/zinc/87/60/98/1314876098.db2.gz DJJMUZIRGVAWAZ-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc(C#N)cc3)n2)cc1 ZINC001248160153 1314898294 /nfs/dbraw/zinc/89/82/94/1314898294.db2.gz DBGCXXQVIVHBOE-SFHVURJKSA-N 2 1 347.422 2.912 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216353210 1314944225 /nfs/dbraw/zinc/94/42/25/1314944225.db2.gz WQMNYCIJXDLFIB-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833740 1315116115 /nfs/dbraw/zinc/11/61/15/1315116115.db2.gz YZKYVRRUBBHMLB-TZIWHRDSSA-N 2 1 344.499 2.991 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833737 1315116361 /nfs/dbraw/zinc/11/63/61/1315116361.db2.gz YZKYVRRUBBHMLB-FPOVZHCZSA-N 2 1 344.499 2.991 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218203353 1315163215 /nfs/dbraw/zinc/16/32/15/1315163215.db2.gz DXSZOERYTBIGHX-HXUWFJFHSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218203353 1315163217 /nfs/dbraw/zinc/16/32/17/1315163217.db2.gz DXSZOERYTBIGHX-HXUWFJFHSA-N 2 1 335.451 2.937 20 30 EFEDMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+]C[C@@H]3C#N)c2)CCCC[N@@H+](C)C1 ZINC001218205228 1315163294 /nfs/dbraw/zinc/16/32/94/1315163294.db2.gz YBIMSNKITOSREG-DBVUQKKJSA-N 2 1 327.472 2.940 20 30 EFEDMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+]C[C@H]3C#N)c2)CCCC[N@@H+](C)C1 ZINC001218205220 1315163519 /nfs/dbraw/zinc/16/35/19/1315163519.db2.gz YBIMSNKITOSREG-AHRSYUTCSA-N 2 1 327.472 2.940 20 30 EFEDMP CC[C@]1(c2cccc(O[C@H]3C[NH2+]C[C@@H]3C#N)c2)CCCC[N@@H+](C)C1 ZINC001218205232 1315163840 /nfs/dbraw/zinc/16/38/40/1315163840.db2.gz YBIMSNKITOSREG-VDGAXYAQSA-N 2 1 327.472 2.940 20 30 EFEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1 ZINC001219047437 1315276767 /nfs/dbraw/zinc/27/67/67/1315276767.db2.gz YAQKGLHFQDBBIF-UWJYYQICSA-N 2 1 333.435 2.553 20 30 EFEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001219047437 1315276772 /nfs/dbraw/zinc/27/67/72/1315276772.db2.gz YAQKGLHFQDBBIF-UWJYYQICSA-N 2 1 333.435 2.553 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054128908 1315337698 /nfs/dbraw/zinc/33/76/98/1315337698.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054128908 1315337700 /nfs/dbraw/zinc/33/77/00/1315337700.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054128908 1315337705 /nfs/dbraw/zinc/33/77/05/1315337705.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054134458 1315346030 /nfs/dbraw/zinc/34/60/30/1315346030.db2.gz DVERMYRXMQCLCO-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054134458 1315346035 /nfs/dbraw/zinc/34/60/35/1315346035.db2.gz DVERMYRXMQCLCO-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054134458 1315346040 /nfs/dbraw/zinc/34/60/40/1315346040.db2.gz DVERMYRXMQCLCO-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135196 1315347412 /nfs/dbraw/zinc/34/74/12/1315347412.db2.gz WCUNXLLLYTVZDP-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135196 1315347415 /nfs/dbraw/zinc/34/74/15/1315347415.db2.gz WCUNXLLLYTVZDP-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135196 1315347418 /nfs/dbraw/zinc/34/74/18/1315347418.db2.gz WCUNXLLLYTVZDP-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054140787 1315355830 /nfs/dbraw/zinc/35/58/30/1315355830.db2.gz ZGTRATFEVSKQJH-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054140787 1315355833 /nfs/dbraw/zinc/35/58/33/1315355833.db2.gz ZGTRATFEVSKQJH-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054140787 1315355838 /nfs/dbraw/zinc/35/58/38/1315355838.db2.gz ZGTRATFEVSKQJH-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141387 1315357191 /nfs/dbraw/zinc/35/71/91/1315357191.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141387 1315357194 /nfs/dbraw/zinc/35/71/94/1315357194.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141387 1315357198 /nfs/dbraw/zinc/35/71/98/1315357198.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144167 1315361117 /nfs/dbraw/zinc/36/11/17/1315361117.db2.gz RAGSBDQKFZNOER-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144167 1315361121 /nfs/dbraw/zinc/36/11/21/1315361121.db2.gz RAGSBDQKFZNOER-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144167 1315361127 /nfs/dbraw/zinc/36/11/27/1315361127.db2.gz RAGSBDQKFZNOER-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144166 1315361704 /nfs/dbraw/zinc/36/17/04/1315361704.db2.gz RAGSBDQKFZNOER-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144166 1315361707 /nfs/dbraw/zinc/36/17/07/1315361707.db2.gz RAGSBDQKFZNOER-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144166 1315361708 /nfs/dbraw/zinc/36/17/08/1315361708.db2.gz RAGSBDQKFZNOER-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054144647 1315362151 /nfs/dbraw/zinc/36/21/51/1315362151.db2.gz ATZNOUGNXRHZEZ-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054144647 1315362156 /nfs/dbraw/zinc/36/21/56/1315362156.db2.gz ATZNOUGNXRHZEZ-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054144641 1315363143 /nfs/dbraw/zinc/36/31/43/1315363143.db2.gz ATZNOUGNXRHZEZ-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054144641 1315363147 /nfs/dbraw/zinc/36/31/47/1315363147.db2.gz ATZNOUGNXRHZEZ-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145672 1315364966 /nfs/dbraw/zinc/36/49/66/1315364966.db2.gz VSZGBLODGUWIMJ-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145672 1315364970 /nfs/dbraw/zinc/36/49/70/1315364970.db2.gz VSZGBLODGUWIMJ-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145672 1315364974 /nfs/dbraw/zinc/36/49/74/1315364974.db2.gz VSZGBLODGUWIMJ-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147126 1315368125 /nfs/dbraw/zinc/36/81/25/1315368125.db2.gz KTMDZYIBBDIKDO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147126 1315368132 /nfs/dbraw/zinc/36/81/32/1315368132.db2.gz KTMDZYIBBDIKDO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147126 1315368136 /nfs/dbraw/zinc/36/81/36/1315368136.db2.gz KTMDZYIBBDIKDO-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148407 1315370292 /nfs/dbraw/zinc/37/02/92/1315370292.db2.gz NERDZRCXLKHZGS-AZUAARDMSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148408 1315370523 /nfs/dbraw/zinc/37/05/23/1315370523.db2.gz NERDZRCXLKHZGS-ICSRJNTNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160052 1315388491 /nfs/dbraw/zinc/38/84/91/1315388491.db2.gz UEVBQYJHSMTAIM-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252128164 1315416845 /nfs/dbraw/zinc/41/68/45/1315416845.db2.gz JODHZKCFSYFLAZ-SLFFLAALSA-N 2 1 339.568 2.808 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182615 1315422941 /nfs/dbraw/zinc/42/29/41/1315422941.db2.gz NYHSDTDYPGZIKW-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182615 1315422944 /nfs/dbraw/zinc/42/29/44/1315422944.db2.gz NYHSDTDYPGZIKW-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182615 1315422947 /nfs/dbraw/zinc/42/29/47/1315422947.db2.gz NYHSDTDYPGZIKW-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182455 1315423248 /nfs/dbraw/zinc/42/32/48/1315423248.db2.gz KOZIBHFJOFHJST-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182455 1315423250 /nfs/dbraw/zinc/42/32/50/1315423250.db2.gz KOZIBHFJOFHJST-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182455 1315423254 /nfs/dbraw/zinc/42/32/54/1315423254.db2.gz KOZIBHFJOFHJST-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054185603 1315427144 /nfs/dbraw/zinc/42/71/44/1315427144.db2.gz GBLKFKDFNOCCCK-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209269 1315460242 /nfs/dbraw/zinc/46/02/42/1315460242.db2.gz MWHIOGYVQHSTBJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209782 1315461057 /nfs/dbraw/zinc/46/10/57/1315461057.db2.gz XQWISWGEXZPNQK-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549462 1315465798 /nfs/dbraw/zinc/46/57/98/1315465798.db2.gz FHKZNVMYOURAMM-LEAZDLGRSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549462 1315465802 /nfs/dbraw/zinc/46/58/02/1315465802.db2.gz FHKZNVMYOURAMM-LEAZDLGRSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549462 1315465804 /nfs/dbraw/zinc/46/58/04/1315465804.db2.gz FHKZNVMYOURAMM-LEAZDLGRSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549462 1315465807 /nfs/dbraw/zinc/46/58/07/1315465807.db2.gz FHKZNVMYOURAMM-LEAZDLGRSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549461 1315465972 /nfs/dbraw/zinc/46/59/72/1315465972.db2.gz FHKZNVMYOURAMM-FFGOWVMKSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549461 1315465975 /nfs/dbraw/zinc/46/59/75/1315465975.db2.gz FHKZNVMYOURAMM-FFGOWVMKSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549461 1315465979 /nfs/dbraw/zinc/46/59/79/1315465979.db2.gz FHKZNVMYOURAMM-FFGOWVMKSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252549461 1315465981 /nfs/dbraw/zinc/46/59/81/1315465981.db2.gz FHKZNVMYOURAMM-FFGOWVMKSA-N 2 1 329.488 2.551 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001252547077 1315466106 /nfs/dbraw/zinc/46/61/06/1315466106.db2.gz DQKMCMUIHHWEIR-GOSISDBHSA-N 2 1 333.476 2.659 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001252547077 1315466109 /nfs/dbraw/zinc/46/61/09/1315466109.db2.gz DQKMCMUIHHWEIR-GOSISDBHSA-N 2 1 333.476 2.659 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552193 1315466579 /nfs/dbraw/zinc/46/65/79/1315466579.db2.gz HQTFTIHCZWMKRU-VQTJNVASSA-N 2 1 344.499 2.679 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001252552688 1315466897 /nfs/dbraw/zinc/46/68/97/1315466897.db2.gz YKZGESVWZGSBLB-HXUWFJFHSA-N 2 1 344.499 2.599 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054221816 1315478650 /nfs/dbraw/zinc/47/86/50/1315478650.db2.gz CLADVEHWSWJGJE-HXUWFJFHSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226797 1315485140 /nfs/dbraw/zinc/48/51/40/1315485140.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226797 1315485143 /nfs/dbraw/zinc/48/51/43/1315485143.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226797 1315485151 /nfs/dbraw/zinc/48/51/51/1315485151.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243631 1315512690 /nfs/dbraw/zinc/51/26/90/1315512690.db2.gz KLLIVYJRZPZFBM-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244830 1315515453 /nfs/dbraw/zinc/51/54/53/1315515453.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244830 1315515456 /nfs/dbraw/zinc/51/54/56/1315515456.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244830 1315515460 /nfs/dbraw/zinc/51/54/60/1315515460.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244829 1315515588 /nfs/dbraw/zinc/51/55/88/1315515588.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244829 1315515592 /nfs/dbraw/zinc/51/55/92/1315515592.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244829 1315515595 /nfs/dbraw/zinc/51/55/95/1315515595.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245540 1315516144 /nfs/dbraw/zinc/51/61/44/1315516144.db2.gz VEVFAZJIECTRMT-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245879 1315517612 /nfs/dbraw/zinc/51/76/12/1315517612.db2.gz GMAFVIHNZCNHKQ-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245879 1315517615 /nfs/dbraw/zinc/51/76/15/1315517615.db2.gz GMAFVIHNZCNHKQ-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134549 1315519680 /nfs/dbraw/zinc/51/96/80/1315519680.db2.gz RWYBTVHGJYGEAC-MSOLQXFVSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134549 1315519683 /nfs/dbraw/zinc/51/96/83/1315519683.db2.gz RWYBTVHGJYGEAC-MSOLQXFVSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039135714 1315520904 /nfs/dbraw/zinc/52/09/04/1315520904.db2.gz IGMNZKNQSNNAOY-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138359 1315525348 /nfs/dbraw/zinc/52/53/48/1315525348.db2.gz OVOZLQVCDSLDEC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138359 1315525351 /nfs/dbraw/zinc/52/53/51/1315525351.db2.gz OVOZLQVCDSLDEC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138359 1315525353 /nfs/dbraw/zinc/52/53/53/1315525353.db2.gz OVOZLQVCDSLDEC-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039151994 1315545580 /nfs/dbraw/zinc/54/55/80/1315545580.db2.gz QIIBUHINFUFSCD-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151994 1315545585 /nfs/dbraw/zinc/54/55/85/1315545585.db2.gz QIIBUHINFUFSCD-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151994 1315545591 /nfs/dbraw/zinc/54/55/91/1315545591.db2.gz QIIBUHINFUFSCD-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155948 1315551551 /nfs/dbraw/zinc/55/15/51/1315551551.db2.gz GFRWAYFPUWUPEV-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561077 1315551884 /nfs/dbraw/zinc/55/18/84/1315551884.db2.gz XANHEJJUXGDEGQ-NCXUSEDFSA-N 2 1 335.536 2.830 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561077 1315551888 /nfs/dbraw/zinc/55/18/88/1315551888.db2.gz XANHEJJUXGDEGQ-NCXUSEDFSA-N 2 1 335.536 2.830 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561077 1315551892 /nfs/dbraw/zinc/55/18/92/1315551892.db2.gz XANHEJJUXGDEGQ-NCXUSEDFSA-N 2 1 335.536 2.830 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155949 1315552189 /nfs/dbraw/zinc/55/21/89/1315552189.db2.gz GFRWAYFPUWUPEV-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156555 1315553057 /nfs/dbraw/zinc/55/30/57/1315553057.db2.gz RKRRTARSXUWREU-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563983 /nfs/dbraw/zinc/56/39/83/1315563983.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563986 /nfs/dbraw/zinc/56/39/86/1315563986.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563990 /nfs/dbraw/zinc/56/39/90/1315563990.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221616599 1315564226 /nfs/dbraw/zinc/56/42/26/1315564226.db2.gz QUVRPQDUDWKRSO-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616599 1315564228 /nfs/dbraw/zinc/56/42/28/1315564228.db2.gz QUVRPQDUDWKRSO-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616599 1315564232 /nfs/dbraw/zinc/56/42/32/1315564232.db2.gz QUVRPQDUDWKRSO-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566103 /nfs/dbraw/zinc/56/61/03/1315566103.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566108 /nfs/dbraw/zinc/56/61/08/1315566108.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566114 /nfs/dbraw/zinc/56/61/14/1315566114.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315566989 /nfs/dbraw/zinc/56/69/89/1315566989.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315566993 /nfs/dbraw/zinc/56/69/93/1315566993.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315567000 /nfs/dbraw/zinc/56/70/00/1315567000.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039181793 1315588695 /nfs/dbraw/zinc/58/86/95/1315588695.db2.gz BDHIJEHNFABWMQ-HXUWFJFHSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224091 1315644215 /nfs/dbraw/zinc/64/42/15/1315644215.db2.gz CQDTWGBGLASYFZ-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225457 1315646510 /nfs/dbraw/zinc/64/65/10/1315646510.db2.gz OIVBIMGULVJVFW-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225456 1315646604 /nfs/dbraw/zinc/64/66/04/1315646604.db2.gz OIVBIMGULVJVFW-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226563 1315648116 /nfs/dbraw/zinc/64/81/16/1315648116.db2.gz WHNJKOSDXCKQPJ-MOPGFXCFSA-N 2 1 344.503 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231659 1315654385 /nfs/dbraw/zinc/65/43/85/1315654385.db2.gz XJNJPOQYYPKGIL-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231659 1315654388 /nfs/dbraw/zinc/65/43/88/1315654388.db2.gz XJNJPOQYYPKGIL-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234157 1315657800 /nfs/dbraw/zinc/65/78/00/1315657800.db2.gz PRCWGAXSIYMTPM-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039238031 1315664355 /nfs/dbraw/zinc/66/43/55/1315664355.db2.gz JZQAOYICYPFEQU-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241384 1315668786 /nfs/dbraw/zinc/66/87/86/1315668786.db2.gz AMIPRQSTZBWRNU-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241384 1315668790 /nfs/dbraw/zinc/66/87/90/1315668790.db2.gz AMIPRQSTZBWRNU-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241382 1315668908 /nfs/dbraw/zinc/66/89/08/1315668908.db2.gz AMIPRQSTZBWRNU-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241382 1315668910 /nfs/dbraw/zinc/66/89/10/1315668910.db2.gz AMIPRQSTZBWRNU-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243710 1315672329 /nfs/dbraw/zinc/67/23/29/1315672329.db2.gz VWCPLCDERGOJOP-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244845 1315674231 /nfs/dbraw/zinc/67/42/31/1315674231.db2.gz ZDSXMLXEKRTDIF-VQTJNVASSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768466 1315685401 /nfs/dbraw/zinc/68/54/01/1315685401.db2.gz YVZOJBGXFAVXRA-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768466 1315685404 /nfs/dbraw/zinc/68/54/04/1315685404.db2.gz YVZOJBGXFAVXRA-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768466 1315685408 /nfs/dbraw/zinc/68/54/08/1315685408.db2.gz YVZOJBGXFAVXRA-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039298226 1315707286 /nfs/dbraw/zinc/70/72/86/1315707286.db2.gz QLNVNKYCUXFVIQ-HZTRTUMWSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039299224 1315707443 /nfs/dbraw/zinc/70/74/43/1315707443.db2.gz XHDLOZPRTMVNBB-QBUWPKIASA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001405801 1315729491 /nfs/dbraw/zinc/72/94/91/1315729491.db2.gz UMKXPWWAZPSQBW-SFHVURJKSA-N 2 1 333.520 2.655 20 30 EFEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662395 1315736632 /nfs/dbraw/zinc/73/66/32/1315736632.db2.gz GGGCQEJCOKOQAH-SLHNCBLASA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662395 1315736635 /nfs/dbraw/zinc/73/66/35/1315736635.db2.gz GGGCQEJCOKOQAH-SLHNCBLASA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662395 1315736639 /nfs/dbraw/zinc/73/66/39/1315736639.db2.gz GGGCQEJCOKOQAH-SLHNCBLASA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662395 1315736641 /nfs/dbraw/zinc/73/66/41/1315736641.db2.gz GGGCQEJCOKOQAH-SLHNCBLASA-N 2 1 341.503 2.749 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373428 1315746261 /nfs/dbraw/zinc/74/62/61/1315746261.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373428 1315746264 /nfs/dbraw/zinc/74/62/64/1315746264.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373428 1315746267 /nfs/dbraw/zinc/74/62/67/1315746267.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375687 1315747913 /nfs/dbraw/zinc/74/79/13/1315747913.db2.gz RVQQTTDRMFSJSN-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377065 1315748928 /nfs/dbraw/zinc/74/89/28/1315748928.db2.gz BFHZYXPROAUBLS-BBWFWOEESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377065 1315748931 /nfs/dbraw/zinc/74/89/31/1315748931.db2.gz BFHZYXPROAUBLS-BBWFWOEESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410809 1315773144 /nfs/dbraw/zinc/77/31/44/1315773144.db2.gz ADDVFZYGLMSFTN-CEXWTWQISA-N 2 1 331.504 2.502 20 30 EFEDMP CC[C@@H](CC#N)[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001255170189 1315785800 /nfs/dbraw/zinc/78/58/00/1315785800.db2.gz OYIVYNWPXMLDAN-MTQWCTHYSA-N 2 1 349.519 2.659 20 30 EFEDMP CC[C@@H](CC#N)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001255170189 1315785803 /nfs/dbraw/zinc/78/58/03/1315785803.db2.gz OYIVYNWPXMLDAN-MTQWCTHYSA-N 2 1 349.519 2.659 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458118 1315804957 /nfs/dbraw/zinc/80/49/57/1315804957.db2.gz GHGJBLYPGJSOPF-UXHICEINSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473242 1315816088 /nfs/dbraw/zinc/81/60/88/1315816088.db2.gz CFLHCYZRSAJBOV-MOPGFXCFSA-N 2 1 327.472 2.613 20 30 EFEDMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255395906 1315816349 /nfs/dbraw/zinc/81/63/49/1315816349.db2.gz FGJDLTHFPVYYJT-MSOLQXFVSA-N 2 1 333.476 2.551 20 30 EFEDMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255395906 1315816353 /nfs/dbraw/zinc/81/63/53/1315816353.db2.gz FGJDLTHFPVYYJT-MSOLQXFVSA-N 2 1 333.476 2.551 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474756 1315817806 /nfs/dbraw/zinc/81/78/06/1315817806.db2.gz YVJCSPCVURIBHV-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001255677927 1315856327 /nfs/dbraw/zinc/85/63/27/1315856327.db2.gz QVQPKEHVKGXFOO-NHJHPMQKSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001255677927 1315856331 /nfs/dbraw/zinc/85/63/31/1315856331.db2.gz QVQPKEHVKGXFOO-NHJHPMQKSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255677927 1315856333 /nfs/dbraw/zinc/85/63/33/1315856333.db2.gz QVQPKEHVKGXFOO-NHJHPMQKSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255677927 1315856337 /nfs/dbraw/zinc/85/63/37/1315856337.db2.gz QVQPKEHVKGXFOO-NHJHPMQKSA-N 2 1 331.504 2.502 20 30 EFEDMP CN1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201265 1315916449 /nfs/dbraw/zinc/91/64/49/1315916449.db2.gz BAFXSWVVHKNLKJ-WGSAOQKQSA-N 2 1 326.488 2.724 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052443820 1315947762 /nfs/dbraw/zinc/94/77/62/1315947762.db2.gz GKVQQLNXSLJTJG-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443820 1315947765 /nfs/dbraw/zinc/94/77/65/1315947765.db2.gz GKVQQLNXSLJTJG-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443820 1315947767 /nfs/dbraw/zinc/94/77/67/1315947767.db2.gz GKVQQLNXSLJTJG-DLBZAZTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522419 1315951722 /nfs/dbraw/zinc/95/17/22/1315951722.db2.gz GWBBCAGNGKJGSB-PKOBYXMFSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522419 1315951724 /nfs/dbraw/zinc/95/17/24/1315951724.db2.gz GWBBCAGNGKJGSB-PKOBYXMFSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CCN1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528574 1315952245 /nfs/dbraw/zinc/95/22/45/1315952245.db2.gz HNVZRTGYKZZSQH-SXLOBPIMSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCN1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528574 1315952248 /nfs/dbraw/zinc/95/22/48/1315952248.db2.gz HNVZRTGYKZZSQH-SXLOBPIMSA-N 2 1 341.499 2.806 20 30 EFEDMP N#CC1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001256958624 1316014417 /nfs/dbraw/zinc/01/44/17/1316014417.db2.gz KQPZBFRSBSTQMC-URYRSFGFSA-N 2 1 344.547 2.997 20 30 EFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C#N)CC1)C2 ZINC001256966655 1316015826 /nfs/dbraw/zinc/01/58/26/1316015826.db2.gz MNLNIEGSLNIYEC-XUUQEUKMSA-N 2 1 331.504 2.749 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256966655 1316015829 /nfs/dbraw/zinc/01/58/29/1316015829.db2.gz MNLNIEGSLNIYEC-XUUQEUKMSA-N 2 1 331.504 2.749 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256966655 1316015831 /nfs/dbraw/zinc/01/58/31/1316015831.db2.gz MNLNIEGSLNIYEC-XUUQEUKMSA-N 2 1 331.504 2.749 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206917 1316143665 /nfs/dbraw/zinc/14/36/65/1316143665.db2.gz ARVYWHHPMPCYOG-TZIWHRDSSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233370 1316157141 /nfs/dbraw/zinc/15/71/41/1316157141.db2.gz ZCBHCMZWRWWAIX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233370 1316157143 /nfs/dbraw/zinc/15/71/43/1316157143.db2.gz ZCBHCMZWRWWAIX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233370 1316157145 /nfs/dbraw/zinc/15/71/45/1316157145.db2.gz ZCBHCMZWRWWAIX-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237159 1316158759 /nfs/dbraw/zinc/15/87/59/1316158759.db2.gz RKZRFHQFCCQYLO-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040240806 1316160451 /nfs/dbraw/zinc/16/04/51/1316160451.db2.gz JPESGKYBVUMSHW-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040240806 1316160453 /nfs/dbraw/zinc/16/04/53/1316160453.db2.gz JPESGKYBVUMSHW-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240806 1316160456 /nfs/dbraw/zinc/16/04/56/1316160456.db2.gz JPESGKYBVUMSHW-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240806 1316160457 /nfs/dbraw/zinc/16/04/57/1316160457.db2.gz JPESGKYBVUMSHW-SFHVURJKSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240835 1316160794 /nfs/dbraw/zinc/16/07/94/1316160794.db2.gz JTCQODDCOAVITF-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240835 1316160796 /nfs/dbraw/zinc/16/07/96/1316160796.db2.gz JTCQODDCOAVITF-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257197 1316168668 /nfs/dbraw/zinc/16/86/68/1316168668.db2.gz COIKNXYQHPZBOB-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257196 1316168690 /nfs/dbraw/zinc/16/86/90/1316168690.db2.gz COIKNXYQHPZBOB-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279906 1316180836 /nfs/dbraw/zinc/18/08/36/1316180836.db2.gz BBIBAGVXNRTXMN-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313787 1316197926 /nfs/dbraw/zinc/19/79/26/1316197926.db2.gz MWVNWPUFDXAOBV-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040348885 1316214703 /nfs/dbraw/zinc/21/47/03/1316214703.db2.gz TURXELGRHANBIT-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348885 1316214706 /nfs/dbraw/zinc/21/47/06/1316214706.db2.gz TURXELGRHANBIT-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348885 1316214711 /nfs/dbraw/zinc/21/47/11/1316214711.db2.gz TURXELGRHANBIT-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040356834 1316219476 /nfs/dbraw/zinc/21/94/76/1316219476.db2.gz LIAXURBLEFJWTE-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040356834 1316219479 /nfs/dbraw/zinc/21/94/79/1316219479.db2.gz LIAXURBLEFJWTE-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040356834 1316219483 /nfs/dbraw/zinc/21/94/83/1316219483.db2.gz LIAXURBLEFJWTE-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241592 /nfs/dbraw/zinc/24/15/92/1316241592.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241596 /nfs/dbraw/zinc/24/15/96/1316241596.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241600 /nfs/dbraw/zinc/24/16/00/1316241600.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242085 /nfs/dbraw/zinc/24/20/85/1316242085.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242086 /nfs/dbraw/zinc/24/20/86/1316242086.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242087 /nfs/dbraw/zinc/24/20/87/1316242087.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433247 1316263380 /nfs/dbraw/zinc/26/33/80/1316263380.db2.gz VCCJJENGBATMEM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464713 1316280109 /nfs/dbraw/zinc/28/01/09/1316280109.db2.gz PFBQHLJZKVCRKI-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492682 1316291466 /nfs/dbraw/zinc/29/14/66/1316291466.db2.gz DFKZHAVUFNJSPS-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492682 1316291468 /nfs/dbraw/zinc/29/14/68/1316291468.db2.gz DFKZHAVUFNJSPS-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492682 1316291471 /nfs/dbraw/zinc/29/14/71/1316291471.db2.gz DFKZHAVUFNJSPS-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545577 1316316434 /nfs/dbraw/zinc/31/64/34/1316316434.db2.gz RDGMYIXXXODVHA-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849279 1316388768 /nfs/dbraw/zinc/38/87/68/1316388768.db2.gz PFNXNIBHVDBWCZ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059821 1316433351 /nfs/dbraw/zinc/43/33/51/1316433351.db2.gz WFUJUZKEYFBAEL-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276244 1316498736 /nfs/dbraw/zinc/49/87/36/1316498736.db2.gz JOYXWMORCQLZND-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276244 1316498738 /nfs/dbraw/zinc/49/87/38/1316498738.db2.gz JOYXWMORCQLZND-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276244 1316498741 /nfs/dbraw/zinc/49/87/41/1316498741.db2.gz JOYXWMORCQLZND-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041325492 1316514839 /nfs/dbraw/zinc/51/48/39/1316514839.db2.gz AYAVKTWPIREOEJ-LJQANCHMSA-N 2 1 347.528 2.924 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339714 1316519990 /nfs/dbraw/zinc/51/99/90/1316519990.db2.gz PYKHAIWZMWLZJC-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339714 1316519992 /nfs/dbraw/zinc/51/99/92/1316519992.db2.gz PYKHAIWZMWLZJC-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339714 1316519993 /nfs/dbraw/zinc/51/99/93/1316519993.db2.gz PYKHAIWZMWLZJC-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339714 1316519995 /nfs/dbraw/zinc/51/99/95/1316519995.db2.gz PYKHAIWZMWLZJC-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348671 1316523131 /nfs/dbraw/zinc/52/31/31/1316523131.db2.gz KWUIVBDGWBALHX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348671 1316523134 /nfs/dbraw/zinc/52/31/34/1316523134.db2.gz KWUIVBDGWBALHX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348671 1316523138 /nfs/dbraw/zinc/52/31/38/1316523138.db2.gz KWUIVBDGWBALHX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358379 1316527012 /nfs/dbraw/zinc/52/70/12/1316527012.db2.gz NKMHXLHMENJVBH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358379 1316527015 /nfs/dbraw/zinc/52/70/15/1316527015.db2.gz NKMHXLHMENJVBH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358379 1316527020 /nfs/dbraw/zinc/52/70/20/1316527020.db2.gz NKMHXLHMENJVBH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358823 1316527046 /nfs/dbraw/zinc/52/70/46/1316527046.db2.gz QXAFGASXWSDTEX-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358823 1316527049 /nfs/dbraw/zinc/52/70/49/1316527049.db2.gz QXAFGASXWSDTEX-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358026 1316527188 /nfs/dbraw/zinc/52/71/88/1316527188.db2.gz KNTXZZPWWCPCMX-QUCCMNQESA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358026 1316527189 /nfs/dbraw/zinc/52/71/89/1316527189.db2.gz KNTXZZPWWCPCMX-QUCCMNQESA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358026 1316527192 /nfs/dbraw/zinc/52/71/92/1316527192.db2.gz KNTXZZPWWCPCMX-QUCCMNQESA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686089 1316529832 /nfs/dbraw/zinc/52/98/32/1316529832.db2.gz NVTODCZUZRKRQJ-XHSDSOJGSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686088 1316529665 /nfs/dbraw/zinc/52/96/65/1316529665.db2.gz NVTODCZUZRKRQJ-JYJNAYRXSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432490 1316550251 /nfs/dbraw/zinc/55/02/51/1316550251.db2.gz QJUYVQPGJJPBSF-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432490 1316550252 /nfs/dbraw/zinc/55/02/52/1316550252.db2.gz QJUYVQPGJJPBSF-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432490 1316550255 /nfs/dbraw/zinc/55/02/55/1316550255.db2.gz QJUYVQPGJJPBSF-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041430169 1316550410 /nfs/dbraw/zinc/55/04/10/1316550410.db2.gz AXHWEKUTMLWXEA-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430169 1316550411 /nfs/dbraw/zinc/55/04/11/1316550411.db2.gz AXHWEKUTMLWXEA-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430169 1316550412 /nfs/dbraw/zinc/55/04/12/1316550412.db2.gz AXHWEKUTMLWXEA-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433155 1316550734 /nfs/dbraw/zinc/55/07/34/1316550734.db2.gz VRZUZWYXFKSVQZ-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433155 1316550736 /nfs/dbraw/zinc/55/07/36/1316550736.db2.gz VRZUZWYXFKSVQZ-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433155 1316550737 /nfs/dbraw/zinc/55/07/37/1316550737.db2.gz VRZUZWYXFKSVQZ-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001041505427 1316569864 /nfs/dbraw/zinc/56/98/64/1316569864.db2.gz ICOGQBANSDEPOH-NRFANRHFSA-N 2 1 341.499 2.515 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587817 1316609853 /nfs/dbraw/zinc/60/98/53/1316609853.db2.gz SIOIVEJVJNHVDX-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587817 1316609855 /nfs/dbraw/zinc/60/98/55/1316609855.db2.gz SIOIVEJVJNHVDX-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587817 1316609857 /nfs/dbraw/zinc/60/98/57/1316609857.db2.gz SIOIVEJVJNHVDX-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603993 1316616731 /nfs/dbraw/zinc/61/67/31/1316616731.db2.gz ZTQFEYBVBYMROZ-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603993 1316616734 /nfs/dbraw/zinc/61/67/34/1316616734.db2.gz ZTQFEYBVBYMROZ-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603993 1316616737 /nfs/dbraw/zinc/61/67/37/1316616737.db2.gz ZTQFEYBVBYMROZ-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715578 1316660194 /nfs/dbraw/zinc/66/01/94/1316660194.db2.gz HFDYPBYBWJGELK-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715578 1316660197 /nfs/dbraw/zinc/66/01/97/1316660197.db2.gz HFDYPBYBWJGELK-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723426 1316665611 /nfs/dbraw/zinc/66/56/11/1316665611.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723426 1316665615 /nfs/dbraw/zinc/66/56/15/1316665615.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723426 1316665618 /nfs/dbraw/zinc/66/56/18/1316665618.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724328 1316666384 /nfs/dbraw/zinc/66/63/84/1316666384.db2.gz VFCNZCWIRSOZOL-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724328 1316666387 /nfs/dbraw/zinc/66/63/87/1316666387.db2.gz VFCNZCWIRSOZOL-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724329 1316666477 /nfs/dbraw/zinc/66/64/77/1316666477.db2.gz VFLJFLJIFARHJQ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724329 1316666481 /nfs/dbraw/zinc/66/64/81/1316666481.db2.gz VFLJFLJIFARHJQ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724849 1316667312 /nfs/dbraw/zinc/66/73/12/1316667312.db2.gz GMMIZMXLTBDBTM-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769679 1316689409 /nfs/dbraw/zinc/68/94/09/1316689409.db2.gz SPPIIGWZUXIRTG-HXUWFJFHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782550 1316696753 /nfs/dbraw/zinc/69/67/53/1316696753.db2.gz AHEIERSTKIVWRY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782550 1316696754 /nfs/dbraw/zinc/69/67/54/1316696754.db2.gz AHEIERSTKIVWRY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782550 1316696755 /nfs/dbraw/zinc/69/67/55/1316696755.db2.gz AHEIERSTKIVWRY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041844278 1316730809 /nfs/dbraw/zinc/73/08/09/1316730809.db2.gz GBCPTLDSUYTQMG-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085526 1316868922 /nfs/dbraw/zinc/86/89/22/1316868922.db2.gz OORUHKNJPFGLKT-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085526 1316868924 /nfs/dbraw/zinc/86/89/24/1316868924.db2.gz OORUHKNJPFGLKT-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085528 1316868965 /nfs/dbraw/zinc/86/89/65/1316868965.db2.gz OORUHKNJPFGLKT-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085528 1316868967 /nfs/dbraw/zinc/86/89/67/1316868967.db2.gz OORUHKNJPFGLKT-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158235 1316919125 /nfs/dbraw/zinc/91/91/25/1316919125.db2.gz VYBODAXVPLIIKE-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308378 1317128185 /nfs/dbraw/zinc/12/81/85/1317128185.db2.gz UWIBGHLQKHNCQE-QUCCMNQESA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042315858 1317138384 /nfs/dbraw/zinc/13/83/84/1317138384.db2.gz DJFOKUQGOKSTFI-APWZRJJASA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042315858 1317138389 /nfs/dbraw/zinc/13/83/89/1317138389.db2.gz DJFOKUQGOKSTFI-APWZRJJASA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001324225025 1329609338 /nfs/dbraw/zinc/60/93/38/1329609338.db2.gz GJLOJCGDTJWESY-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001325038954 1329666087 /nfs/dbraw/zinc/66/60/87/1329666087.db2.gz IFEANDLSMXXHDG-IHWFROFDSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325086207 1329669881 /nfs/dbraw/zinc/66/98/81/1329669881.db2.gz QMBHKTJVJSUUBP-FXAWDEMLSA-N 2 1 347.478 2.648 20 30 EFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110513 1331793508 /nfs/dbraw/zinc/79/35/08/1331793508.db2.gz QFMQNNZDJVEXIN-KRWDZBQOSA-N 2 1 346.523 2.541 20 30 EFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110513 1331793510 /nfs/dbraw/zinc/79/35/10/1331793510.db2.gz QFMQNNZDJVEXIN-KRWDZBQOSA-N 2 1 346.523 2.541 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570366 1332268659 /nfs/dbraw/zinc/26/86/59/1332268659.db2.gz XNGYHBFJNXDEHR-RBUKOAKNSA-N 2 1 329.488 2.698 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001341643250 1332273444 /nfs/dbraw/zinc/27/34/44/1332273444.db2.gz NGDYZHSLXXSMEK-GOSISDBHSA-N 2 1 333.451 2.544 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001341643250 1332273446 /nfs/dbraw/zinc/27/34/46/1332273446.db2.gz NGDYZHSLXXSMEK-GOSISDBHSA-N 2 1 333.451 2.544 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001341696745 1332277764 /nfs/dbraw/zinc/27/77/64/1332277764.db2.gz LXUAHASFSXMVFI-QAPCUYQASA-N 2 1 331.460 2.702 20 30 EFEDMP N#Cc1cccnc1NCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001343646416 1332365745 /nfs/dbraw/zinc/36/57/45/1332365745.db2.gz GGCSLJCJTUVGIQ-UHFFFAOYSA-N 2 1 349.482 2.662 20 30 EFEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001351614959 1333256760 /nfs/dbraw/zinc/25/67/60/1333256760.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001926098 1333752513 /nfs/dbraw/zinc/75/25/13/1333752513.db2.gz UGJFTLAUWJFHSD-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002047124 1333987980 /nfs/dbraw/zinc/98/79/80/1333987980.db2.gz VPVVKIWDRSNBJC-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001407872507 1369332985 /nfs/dbraw/zinc/33/29/85/1369332985.db2.gz ZNOIJKDQOBASPF-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721254 1334663482 /nfs/dbraw/zinc/66/34/82/1334663482.db2.gz IWBYQFRDASEPET-GTPINHCMSA-N 2 1 332.492 2.846 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721255 1334663548 /nfs/dbraw/zinc/66/35/48/1334663548.db2.gz IWBYQFRDASEPET-KLAILNCOSA-N 2 1 332.492 2.846 20 30 EFEDMP OCCC[N@H+]1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113696 1335554526 /nfs/dbraw/zinc/55/45/26/1335554526.db2.gz RGYFUTZNMBMAJO-LJQANCHMSA-N 2 1 344.503 2.787 20 30 EFEDMP OCCC[N@H+]1CCC[C@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113695 1335554728 /nfs/dbraw/zinc/55/47/28/1335554728.db2.gz RGYFUTZNMBMAJO-IBGZPJMESA-N 2 1 344.503 2.787 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001366208994 1337444301 /nfs/dbraw/zinc/44/43/01/1337444301.db2.gz VORMUUBDBQFAHM-MRXNPFEDSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001368161201 1339227193 /nfs/dbraw/zinc/22/71/93/1339227193.db2.gz IOCKZYPAOWDEBA-GOSISDBHSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001368161201 1339227195 /nfs/dbraw/zinc/22/71/95/1339227195.db2.gz IOCKZYPAOWDEBA-GOSISDBHSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001368161201 1339227197 /nfs/dbraw/zinc/22/71/97/1339227197.db2.gz IOCKZYPAOWDEBA-GOSISDBHSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001368161201 1339227200 /nfs/dbraw/zinc/22/72/00/1339227200.db2.gz IOCKZYPAOWDEBA-GOSISDBHSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375174552 1342490475 /nfs/dbraw/zinc/49/04/75/1342490475.db2.gz FVFTYYPHCMTLML-HZPDHXFCSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001393870927 1357231933 /nfs/dbraw/zinc/23/19/33/1357231933.db2.gz KMMVIRPGEPQMMB-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001393870927 1357231938 /nfs/dbraw/zinc/23/19/38/1357231938.db2.gz KMMVIRPGEPQMMB-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001379181926 1345645990 /nfs/dbraw/zinc/64/59/90/1345645990.db2.gz VPWZGFKGRCLTFM-GJZGRUSLSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001418722154 1374414777 /nfs/dbraw/zinc/41/47/77/1374414777.db2.gz QWPPHEPTJNZFOL-MRXNPFEDSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001418722154 1374414780 /nfs/dbraw/zinc/41/47/80/1374414780.db2.gz QWPPHEPTJNZFOL-MRXNPFEDSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001418722154 1374414783 /nfs/dbraw/zinc/41/47/83/1374414783.db2.gz QWPPHEPTJNZFOL-MRXNPFEDSA-N 2 1 329.916 2.830 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001380086401 1347509282 /nfs/dbraw/zinc/50/92/82/1347509282.db2.gz IIEMBTFZRFTWMK-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381165288 1348115356 /nfs/dbraw/zinc/11/53/56/1348115356.db2.gz ORZDFERZEAIZCP-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381165288 1348115359 /nfs/dbraw/zinc/11/53/59/1348115359.db2.gz ORZDFERZEAIZCP-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541129 1349007965 /nfs/dbraw/zinc/00/79/65/1349007965.db2.gz QLAXUDGKHGCXAX-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001394699113 1358024221 /nfs/dbraw/zinc/02/42/21/1358024221.db2.gz BQVQQMJXAFZUDD-ZWKOTPCHSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001394699113 1358024224 /nfs/dbraw/zinc/02/42/24/1358024224.db2.gz BQVQQMJXAFZUDD-ZWKOTPCHSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001402061818 1363368906 /nfs/dbraw/zinc/36/89/06/1363368906.db2.gz BAKOGQGJGHSYGJ-UHFFFAOYSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001402093683 1363399386 /nfs/dbraw/zinc/39/93/86/1363399386.db2.gz BGQCTBDTGZWBSZ-INIZCTEOSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001402762674 1364010018 /nfs/dbraw/zinc/01/00/18/1364010018.db2.gz BWNTVASHRQAPNY-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762674 1364010021 /nfs/dbraw/zinc/01/00/21/1364010021.db2.gz BWNTVASHRQAPNY-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762674 1364010023 /nfs/dbraw/zinc/01/00/23/1364010023.db2.gz BWNTVASHRQAPNY-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001402766454 1364015288 /nfs/dbraw/zinc/01/52/88/1364015288.db2.gz KAZYIZGOUCNWFT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001402766454 1364015294 /nfs/dbraw/zinc/01/52/94/1364015294.db2.gz KAZYIZGOUCNWFT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766454 1364015298 /nfs/dbraw/zinc/01/52/98/1364015298.db2.gz KAZYIZGOUCNWFT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766454 1364015302 /nfs/dbraw/zinc/01/53/02/1364015302.db2.gz KAZYIZGOUCNWFT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001402891605 1364114229 /nfs/dbraw/zinc/11/42/29/1364114229.db2.gz QVANHUUPHCEZQC-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001402891605 1364114234 /nfs/dbraw/zinc/11/42/34/1364114234.db2.gz QVANHUUPHCEZQC-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001402891605 1364114237 /nfs/dbraw/zinc/11/42/37/1364114237.db2.gz QVANHUUPHCEZQC-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001407535440 1368953446 /nfs/dbraw/zinc/95/34/46/1368953446.db2.gz KUQMGBIQJWTUNU-WKILWMFISA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001408307639 1369804015 /nfs/dbraw/zinc/80/40/15/1369804015.db2.gz MRWGDZUYSZBCGQ-KURKYZTESA-N 2 1 349.906 2.697 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001437869253 1388156411 /nfs/dbraw/zinc/15/64/11/1388156411.db2.gz AZAANSRXFVHFBS-QGZVFWFLSA-N 2 1 335.879 2.528 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001437869248 1388156616 /nfs/dbraw/zinc/15/66/16/1388156616.db2.gz AZAANSRXFVHFBS-KRWDZBQOSA-N 2 1 335.879 2.528 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001418722154 1374414774 /nfs/dbraw/zinc/41/47/74/1374414774.db2.gz QWPPHEPTJNZFOL-MRXNPFEDSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001419831250 1375951761 /nfs/dbraw/zinc/95/17/61/1375951761.db2.gz NQVDLNPABBUUCI-HOTGVXAUSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001420945387 1377921351 /nfs/dbraw/zinc/92/13/51/1377921351.db2.gz NMFQCNLIVUDUNV-HNNXBMFYSA-N 2 1 339.911 2.632 20 30 EFEDMP C=C(Cl)CN1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001421635173 1378920413 /nfs/dbraw/zinc/92/04/13/1378920413.db2.gz PBFUYPLNZDEZLS-JKSUJKDBSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001421842023 1379221722 /nfs/dbraw/zinc/22/17/22/1379221722.db2.gz SZIUEQGLDBXMID-INIZCTEOSA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001422125097 1379647143 /nfs/dbraw/zinc/64/71/43/1379647143.db2.gz JUTKHSDVAHMFDM-CABCVRRESA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001422125097 1379647147 /nfs/dbraw/zinc/64/71/47/1379647147.db2.gz JUTKHSDVAHMFDM-CABCVRRESA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001422125097 1379647149 /nfs/dbraw/zinc/64/71/49/1379647149.db2.gz JUTKHSDVAHMFDM-CABCVRRESA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001422125097 1379647153 /nfs/dbraw/zinc/64/71/53/1379647153.db2.gz JUTKHSDVAHMFDM-CABCVRRESA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001422698836 1380626774 /nfs/dbraw/zinc/62/67/74/1380626774.db2.gz HTAXSAIQLFFMBZ-KRWDZBQOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001422698836 1380626778 /nfs/dbraw/zinc/62/67/78/1380626778.db2.gz HTAXSAIQLFFMBZ-KRWDZBQOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327743 1381790178 /nfs/dbraw/zinc/79/01/78/1381790178.db2.gz UGRGMKFYBXJNPI-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001424562165 1383109966 /nfs/dbraw/zinc/10/99/66/1383109966.db2.gz WONMIVZUCGREIW-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001424562165 1383109968 /nfs/dbraw/zinc/10/99/68/1383109968.db2.gz WONMIVZUCGREIW-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001425876262 1383820598 /nfs/dbraw/zinc/82/05/98/1383820598.db2.gz JPLQOPIMEMUWRB-WBVHZDCISA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001440222735 1389452454 /nfs/dbraw/zinc/45/24/54/1389452454.db2.gz YSYMWZVGXTVFDJ-ULQDDVLXSA-N 2 1 341.927 2.876 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001440318970 1389531459 /nfs/dbraw/zinc/53/14/59/1389531459.db2.gz MLTRTOZIGJHRRL-UAGQMJEPSA-N 2 1 335.879 2.526 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)CCC[NH+](C)C)CC1 ZINC001441147225 1391144356 /nfs/dbraw/zinc/14/43/56/1391144356.db2.gz HTPSPEFNPRCQHL-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001448261982 1392058297 /nfs/dbraw/zinc/05/82/97/1392058297.db2.gz RZIMBNHAARSOMZ-KRWDZBQOSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001448261982 1392058302 /nfs/dbraw/zinc/05/83/02/1392058302.db2.gz RZIMBNHAARSOMZ-KRWDZBQOSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496912283 1401098827 /nfs/dbraw/zinc/09/88/27/1401098827.db2.gz NLMJZYPYHQUYBD-JKSUJKDBSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001499997939 1402889095 /nfs/dbraw/zinc/88/90/95/1402889095.db2.gz XUTQDFBKCQBIBF-UHFFFAOYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001499997939 1402889100 /nfs/dbraw/zinc/88/91/00/1402889100.db2.gz XUTQDFBKCQBIBF-UHFFFAOYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001501092421 1403437270 /nfs/dbraw/zinc/43/72/70/1403437270.db2.gz UAMRZGFYZDBSPZ-SJLPKXTDSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001501092421 1403437273 /nfs/dbraw/zinc/43/72/73/1403437273.db2.gz UAMRZGFYZDBSPZ-SJLPKXTDSA-N 2 1 349.906 2.698 20 30 EFEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001699683581 1417450988 /nfs/dbraw/zinc/45/09/88/1417450988.db2.gz NENBVPVTZPNWTQ-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001699683581 1417450990 /nfs/dbraw/zinc/45/09/90/1417450990.db2.gz NENBVPVTZPNWTQ-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001699683581 1417450994 /nfs/dbraw/zinc/45/09/94/1417450994.db2.gz NENBVPVTZPNWTQ-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153827 712940539 /nfs/dbraw/zinc/94/05/39/712940539.db2.gz PZPGNVVFMYAGOC-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969683422 713217649 /nfs/dbraw/zinc/21/76/49/713217649.db2.gz ZYXYXTMRTGKDFN-DLBZAZTESA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969691904 713220496 /nfs/dbraw/zinc/22/04/96/713220496.db2.gz AVMLNLRLLNEQFO-NVXWUHKLSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980218409 717933227 /nfs/dbraw/zinc/93/32/27/717933227.db2.gz NDVVELYBOCEDPS-XUVXKRRUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(Cl)CN1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021607869 714169339 /nfs/dbraw/zinc/16/93/39/714169339.db2.gz YBVAEOSTYBCPSI-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607869 714169343 /nfs/dbraw/zinc/16/93/43/714169343.db2.gz YBVAEOSTYBCPSI-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607869 714169350 /nfs/dbraw/zinc/16/93/50/714169350.db2.gz YBVAEOSTYBCPSI-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021607869 714169353 /nfs/dbraw/zinc/16/93/53/714169353.db2.gz YBVAEOSTYBCPSI-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621959 714191507 /nfs/dbraw/zinc/19/15/07/714191507.db2.gz GAPMGAYPXPIVLG-IEBWSBKVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622025 714191709 /nfs/dbraw/zinc/19/17/09/714191709.db2.gz GUKZNWKCCQHVBV-PKOBYXMFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666118 714264818 /nfs/dbraw/zinc/26/48/18/714264818.db2.gz PHTDXKLMDSIFSX-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701249 714334543 /nfs/dbraw/zinc/33/45/43/714334543.db2.gz WORGIUBUYVCJPV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707654 714345152 /nfs/dbraw/zinc/34/51/52/714345152.db2.gz WRYLEQREZXYURC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706767 714345810 /nfs/dbraw/zinc/34/58/10/714345810.db2.gz OVKPDYKCAZENCB-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711380 714349301 /nfs/dbraw/zinc/34/93/01/714349301.db2.gz VYCBWRCWPSGDHE-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723993 714371643 /nfs/dbraw/zinc/37/16/43/714371643.db2.gz HRNZEEAKHUOJDX-HKUYNNGSSA-N 2 1 344.503 2.632 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738901 714401045 /nfs/dbraw/zinc/40/10/45/714401045.db2.gz DSDJUMCBRVREQP-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738902 714401211 /nfs/dbraw/zinc/40/12/11/714401211.db2.gz DSDJUMCBRVREQP-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618024 718030936 /nfs/dbraw/zinc/03/09/36/718030936.db2.gz PANGYGKXFAQCNX-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618024 718030939 /nfs/dbraw/zinc/03/09/39/718030939.db2.gz PANGYGKXFAQCNX-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618024 718030942 /nfs/dbraw/zinc/03/09/42/718030942.db2.gz PANGYGKXFAQCNX-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618024 718030946 /nfs/dbraw/zinc/03/09/46/718030946.db2.gz PANGYGKXFAQCNX-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588480 715237102 /nfs/dbraw/zinc/23/71/02/715237102.db2.gz JAZXEHVIMGRTTO-HLLBOEOZSA-N 2 1 339.911 2.773 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005400 715238486 /nfs/dbraw/zinc/23/84/86/715238486.db2.gz LOFFTGCZDVUVBN-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973537 715388122 /nfs/dbraw/zinc/38/81/22/715388122.db2.gz JSMFAYKSGHIBPW-WMZOPIPTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973537 715388129 /nfs/dbraw/zinc/38/81/29/715388129.db2.gz JSMFAYKSGHIBPW-WMZOPIPTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973534 715388429 /nfs/dbraw/zinc/38/84/29/715388429.db2.gz JSMFAYKSGHIBPW-SJLPKXTDSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973534 715388435 /nfs/dbraw/zinc/38/84/35/715388435.db2.gz JSMFAYKSGHIBPW-SJLPKXTDSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044053 715447338 /nfs/dbraw/zinc/44/73/38/715447338.db2.gz WYBWZBQMJXDZLP-WMZOPIPTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044053 715447340 /nfs/dbraw/zinc/44/73/40/715447340.db2.gz WYBWZBQMJXDZLP-WMZOPIPTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009610435 715691701 /nfs/dbraw/zinc/69/17/01/715691701.db2.gz MILDXHVTWWMPMJ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009630468 715758531 /nfs/dbraw/zinc/75/85/31/715758531.db2.gz WJJTXNQITBIVQM-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434502 715791523 /nfs/dbraw/zinc/79/15/23/715791523.db2.gz RNMGEECIGONACF-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027434502 715791525 /nfs/dbraw/zinc/79/15/25/715791525.db2.gz RNMGEECIGONACF-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027434502 715791529 /nfs/dbraw/zinc/79/15/29/715791529.db2.gz RNMGEECIGONACF-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027434502 715791533 /nfs/dbraw/zinc/79/15/33/715791533.db2.gz RNMGEECIGONACF-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449780 715841402 /nfs/dbraw/zinc/84/14/02/715841402.db2.gz GZXGNWRRTKCWIS-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449780 715841406 /nfs/dbraw/zinc/84/14/06/715841406.db2.gz GZXGNWRRTKCWIS-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449780 715841408 /nfs/dbraw/zinc/84/14/08/715841408.db2.gz GZXGNWRRTKCWIS-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449780 715841413 /nfs/dbraw/zinc/84/14/13/715841413.db2.gz GZXGNWRRTKCWIS-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985469465 724438919 /nfs/dbraw/zinc/43/89/19/724438919.db2.gz FAPOHCJORJVWGC-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000985469465 724438922 /nfs/dbraw/zinc/43/89/22/724438922.db2.gz FAPOHCJORJVWGC-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000985469465 724438923 /nfs/dbraw/zinc/43/89/23/724438923.db2.gz FAPOHCJORJVWGC-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977500417 716278420 /nfs/dbraw/zinc/27/84/20/716278420.db2.gz QXUFHIIUXQXVPD-QGZVFWFLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500417 716278424 /nfs/dbraw/zinc/27/84/24/716278424.db2.gz QXUFHIIUXQXVPD-QGZVFWFLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500417 716278428 /nfs/dbraw/zinc/27/84/28/716278428.db2.gz QXUFHIIUXQXVPD-QGZVFWFLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413368 716437500 /nfs/dbraw/zinc/43/75/00/716437500.db2.gz DBJKFIGMXWXWDU-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413368 716437503 /nfs/dbraw/zinc/43/75/03/716437503.db2.gz DBJKFIGMXWXWDU-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413368 716437507 /nfs/dbraw/zinc/43/75/07/716437507.db2.gz DBJKFIGMXWXWDU-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414555 716440318 /nfs/dbraw/zinc/44/03/18/716440318.db2.gz VYCAHROYQSTIOT-IRXDYDNUSA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414555 716440323 /nfs/dbraw/zinc/44/03/23/716440323.db2.gz VYCAHROYQSTIOT-IRXDYDNUSA-N 2 1 330.476 2.555 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654432 716445902 /nfs/dbraw/zinc/44/59/02/716445902.db2.gz LPTRZOTZBNLZSW-GOSISDBHSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662646 716458589 /nfs/dbraw/zinc/45/85/89/716458589.db2.gz PVMXIIHMGKTQAH-QGZVFWFLSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456875 716492611 /nfs/dbraw/zinc/49/26/11/716492611.db2.gz BCBSERXKYFOTOP-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456875 716492614 /nfs/dbraw/zinc/49/26/14/716492614.db2.gz BCBSERXKYFOTOP-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456875 716492617 /nfs/dbraw/zinc/49/26/17/716492617.db2.gz BCBSERXKYFOTOP-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455689 716494416 /nfs/dbraw/zinc/49/44/16/716494416.db2.gz OYWPYBKYVOXAOP-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455689 716494419 /nfs/dbraw/zinc/49/44/19/716494419.db2.gz OYWPYBKYVOXAOP-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455689 716494422 /nfs/dbraw/zinc/49/44/22/716494422.db2.gz OYWPYBKYVOXAOP-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455689 716494425 /nfs/dbraw/zinc/49/44/25/716494425.db2.gz OYWPYBKYVOXAOP-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489456 716533340 /nfs/dbraw/zinc/53/33/40/716533340.db2.gz BVYOBYLNHGVWIH-AWEZNQCLSA-N 2 1 332.835 2.529 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489456 716533342 /nfs/dbraw/zinc/53/33/42/716533342.db2.gz BVYOBYLNHGVWIH-AWEZNQCLSA-N 2 1 332.835 2.529 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978951554 716598665 /nfs/dbraw/zinc/59/86/65/716598665.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978951554 716598668 /nfs/dbraw/zinc/59/86/68/716598668.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978951554 716598672 /nfs/dbraw/zinc/59/86/72/716598672.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978955547 716601422 /nfs/dbraw/zinc/60/14/22/716601422.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978955547 716601424 /nfs/dbraw/zinc/60/14/24/716601424.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978955547 716601427 /nfs/dbraw/zinc/60/14/27/716601427.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023548091 716612515 /nfs/dbraw/zinc/61/25/15/716612515.db2.gz BCBPRSWMVKECGA-DLBZAZTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023548091 716612518 /nfs/dbraw/zinc/61/25/18/716612518.db2.gz BCBPRSWMVKECGA-DLBZAZTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023548091 716612521 /nfs/dbraw/zinc/61/25/21/716612521.db2.gz BCBPRSWMVKECGA-DLBZAZTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023548091 716612522 /nfs/dbraw/zinc/61/25/22/716612522.db2.gz BCBPRSWMVKECGA-DLBZAZTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568320 716634913 /nfs/dbraw/zinc/63/49/13/716634913.db2.gz KVBCZQLXZDRVTP-SJLPKXTDSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568319 716634995 /nfs/dbraw/zinc/63/49/95/716634995.db2.gz KVBCZQLXZDRVTP-FUHWJXTLSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576950 716701798 /nfs/dbraw/zinc/70/17/98/716701798.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576950 716701801 /nfs/dbraw/zinc/70/18/01/716701801.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576950 716701804 /nfs/dbraw/zinc/70/18/04/716701804.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023706952 716845594 /nfs/dbraw/zinc/84/55/94/716845594.db2.gz DSCWPMYZFWPXSP-MRXNPFEDSA-N 2 1 330.476 2.556 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023706952 716845597 /nfs/dbraw/zinc/84/55/97/716845597.db2.gz DSCWPMYZFWPXSP-MRXNPFEDSA-N 2 1 330.476 2.556 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169934 716867558 /nfs/dbraw/zinc/86/75/58/716867558.db2.gz VLVGNCZWQVRSAZ-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169934 716867563 /nfs/dbraw/zinc/86/75/63/716867563.db2.gz VLVGNCZWQVRSAZ-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169934 716867570 /nfs/dbraw/zinc/86/75/70/716867570.db2.gz VLVGNCZWQVRSAZ-FRYIKTPZSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602410 716917879 /nfs/dbraw/zinc/91/78/79/716917879.db2.gz SXZXGCAHFKVASS-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602410 716917882 /nfs/dbraw/zinc/91/78/82/716917882.db2.gz SXZXGCAHFKVASS-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770466 716991638 /nfs/dbraw/zinc/99/16/38/716991638.db2.gz ZYNJSCAJROMFPT-INIZCTEOSA-N 2 1 333.476 2.749 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930352 717244568 /nfs/dbraw/zinc/24/45/68/717244568.db2.gz OAMRNNZNSVQWLI-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930352 717244570 /nfs/dbraw/zinc/24/45/70/717244570.db2.gz OAMRNNZNSVQWLI-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930352 717244578 /nfs/dbraw/zinc/24/45/78/717244578.db2.gz OAMRNNZNSVQWLI-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484862 717326302 /nfs/dbraw/zinc/32/63/02/717326302.db2.gz CPMFBERISZXATL-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484862 717326307 /nfs/dbraw/zinc/32/63/07/717326307.db2.gz CPMFBERISZXATL-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522926 717390623 /nfs/dbraw/zinc/39/06/23/717390623.db2.gz CXGPVJRUZHMXKX-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@H]2C1 ZINC000979990875 717640351 /nfs/dbraw/zinc/64/03/51/717640351.db2.gz RTMXMFHNYAQBCF-BZSNNMDCSA-N 2 1 344.503 2.719 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980002411 717654681 /nfs/dbraw/zinc/65/46/81/717654681.db2.gz QPIDUQUIHOPJAJ-OTWHNJEPSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980089205 717732841 /nfs/dbraw/zinc/73/28/41/717732841.db2.gz XJHSCEVMTZOXHS-IPMKNSEASA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479263 717792766 /nfs/dbraw/zinc/79/27/66/717792766.db2.gz CYWRXNVATNRMHB-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479263 717792769 /nfs/dbraw/zinc/79/27/69/717792769.db2.gz CYWRXNVATNRMHB-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479263 717792771 /nfs/dbraw/zinc/79/27/71/717792771.db2.gz CYWRXNVATNRMHB-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479309 717793676 /nfs/dbraw/zinc/79/36/76/717793676.db2.gz FDRCTOHQQHJMSE-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479309 717793680 /nfs/dbraw/zinc/79/36/80/717793680.db2.gz FDRCTOHQQHJMSE-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479309 717793685 /nfs/dbraw/zinc/79/36/85/717793685.db2.gz FDRCTOHQQHJMSE-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980155189 717812264 /nfs/dbraw/zinc/81/22/64/717812264.db2.gz IAAYVOQKKUBYHX-RYQLBKOJSA-N 2 1 345.487 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502360 717830697 /nfs/dbraw/zinc/83/06/97/717830697.db2.gz MFXBTMYSHSXVPI-GOSISDBHSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166822 717831205 /nfs/dbraw/zinc/83/12/05/717831205.db2.gz JLZIEHNWEAXFCV-OTWHNJEPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166822 717831209 /nfs/dbraw/zinc/83/12/09/717831209.db2.gz JLZIEHNWEAXFCV-OTWHNJEPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166822 717831212 /nfs/dbraw/zinc/83/12/12/717831212.db2.gz JLZIEHNWEAXFCV-OTWHNJEPSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885586 717832470 /nfs/dbraw/zinc/83/24/70/717832470.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885586 717832472 /nfs/dbraw/zinc/83/24/72/717832472.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885586 717832476 /nfs/dbraw/zinc/83/24/76/717832476.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756571 724474948 /nfs/dbraw/zinc/47/49/48/724474948.db2.gz NUVAGOWMGDQAAM-MRXNPFEDSA-N 2 1 332.492 2.577 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181205 717848557 /nfs/dbraw/zinc/84/85/57/717848557.db2.gz XLULYOYIJDHXSN-IPMKNSEASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980173737 717857504 /nfs/dbraw/zinc/85/75/04/717857504.db2.gz SRDLZJCAFCEVEG-BZSNNMDCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187968 717876546 /nfs/dbraw/zinc/87/65/46/717876546.db2.gz KWKZOGUOGWTGLL-OTWHNJEPSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980188864 717877688 /nfs/dbraw/zinc/87/76/88/717877688.db2.gz UKTPPTDKRFAJAM-UFYCRDLUSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814044 718174334 /nfs/dbraw/zinc/17/43/34/718174334.db2.gz NETXVKJXEPXAKT-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001024812423 718175358 /nfs/dbraw/zinc/17/53/58/718175358.db2.gz OSHYOMRFWGIIDE-LJQANCHMSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(CC)CC)CC1 ZINC001024812610 718175365 /nfs/dbraw/zinc/17/53/65/718175365.db2.gz PZBOJFPJNKWFLQ-HXUWFJFHSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985497265 724495382 /nfs/dbraw/zinc/49/53/82/724495382.db2.gz UPJKNUVTPOHVBH-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985497265 724495384 /nfs/dbraw/zinc/49/53/84/724495384.db2.gz UPJKNUVTPOHVBH-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985497265 724495385 /nfs/dbraw/zinc/49/53/85/724495385.db2.gz UPJKNUVTPOHVBH-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241325 718461185 /nfs/dbraw/zinc/46/11/85/718461185.db2.gz WIVGWWJDJIRDHF-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241325 718461186 /nfs/dbraw/zinc/46/11/86/718461186.db2.gz WIVGWWJDJIRDHF-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241325 718461187 /nfs/dbraw/zinc/46/11/87/718461187.db2.gz WIVGWWJDJIRDHF-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246774 718466902 /nfs/dbraw/zinc/46/69/02/718466902.db2.gz HCLVTXVBRWZOKY-ROUUACIJSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246772 718466941 /nfs/dbraw/zinc/46/69/41/718466941.db2.gz HCLVTXVBRWZOKY-QZTJIDSGSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258221 718474109 /nfs/dbraw/zinc/47/41/09/718474109.db2.gz DPQGGTPWXQRHRJ-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287816 718524852 /nfs/dbraw/zinc/52/48/52/718524852.db2.gz GVEBFQFGSPSRMB-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092642 718708217 /nfs/dbraw/zinc/70/82/17/718708217.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092642 718708218 /nfs/dbraw/zinc/70/82/18/718708218.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092642 718708222 /nfs/dbraw/zinc/70/82/22/718708222.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092645 718708267 /nfs/dbraw/zinc/70/82/67/718708267.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092645 718708270 /nfs/dbraw/zinc/70/82/70/718708270.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092645 718708272 /nfs/dbraw/zinc/70/82/72/718708272.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460430 718913205 /nfs/dbraw/zinc/91/32/05/718913205.db2.gz IAISRANFXFQURG-GOEBONIOSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469451 718952252 /nfs/dbraw/zinc/95/22/52/718952252.db2.gz PHIXOXIPONGTAM-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474014 718961212 /nfs/dbraw/zinc/96/12/12/718961212.db2.gz IDJHRGUWTZNLBN-WBVHZDCISA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474012 718961223 /nfs/dbraw/zinc/96/12/23/718961223.db2.gz IDJHRGUWTZNLBN-NVXWUHKLSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486365 719001576 /nfs/dbraw/zinc/00/15/76/719001576.db2.gz UBYDGPQSUKUTRV-CVEARBPZSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768093 719017316 /nfs/dbraw/zinc/01/73/16/719017316.db2.gz DSLPZTZRIHKQGB-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029921203 724554416 /nfs/dbraw/zinc/55/44/16/724554416.db2.gz SIEALBJNMRUTBD-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029921203 724554420 /nfs/dbraw/zinc/55/44/20/724554420.db2.gz SIEALBJNMRUTBD-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029921203 724554423 /nfs/dbraw/zinc/55/44/23/724554423.db2.gz SIEALBJNMRUTBD-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515707 719052296 /nfs/dbraw/zinc/05/22/96/719052296.db2.gz MNQXGPUFLIOSJQ-HOTGVXAUSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981813983 719063195 /nfs/dbraw/zinc/06/31/95/719063195.db2.gz TWDUFRISPGESLZ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981813983 719063199 /nfs/dbraw/zinc/06/31/99/719063199.db2.gz TWDUFRISPGESLZ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981813983 719063204 /nfs/dbraw/zinc/06/32/04/719063204.db2.gz TWDUFRISPGESLZ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528133 719071894 /nfs/dbraw/zinc/07/18/94/719071894.db2.gz QKCJLMPYOWQLAV-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583854 719165633 /nfs/dbraw/zinc/16/56/33/719165633.db2.gz CBGCYURIUPMXOX-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598175 719199742 /nfs/dbraw/zinc/19/97/42/719199742.db2.gz VPCGSNPAUATJGD-HOTGVXAUSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598175 719199745 /nfs/dbraw/zinc/19/97/45/719199745.db2.gz VPCGSNPAUATJGD-HOTGVXAUSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074954 719538318 /nfs/dbraw/zinc/53/83/18/719538318.db2.gz KCBVKWQWUXXCMO-UHFFFAOYSA-N 2 1 332.492 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074954 719538323 /nfs/dbraw/zinc/53/83/23/719538323.db2.gz KCBVKWQWUXXCMO-UHFFFAOYSA-N 2 1 332.492 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163457 719607497 /nfs/dbraw/zinc/60/74/97/719607497.db2.gz BRALUZVWKGMKJQ-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163541 719607627 /nfs/dbraw/zinc/60/76/27/719607627.db2.gz FKURKTXERZHUCT-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000985558696 724603709 /nfs/dbraw/zinc/60/37/09/724603709.db2.gz MGYUWATWRQAYMQ-UHFFFAOYSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160667 719619765 /nfs/dbraw/zinc/61/97/65/719619765.db2.gz ATSABEXTJYKZOA-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985558982 724605792 /nfs/dbraw/zinc/60/57/92/724605792.db2.gz QAJATORXJBJLCN-KRWDZBQOSA-N 2 1 339.911 2.536 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000178573995 719714962 /nfs/dbraw/zinc/71/49/62/719714962.db2.gz ONYUCQTYKDXJKH-OAHLLOKOSA-N 2 1 326.444 2.942 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000178573995 719714969 /nfs/dbraw/zinc/71/49/69/719714969.db2.gz ONYUCQTYKDXJKH-OAHLLOKOSA-N 2 1 326.444 2.942 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279609 719788272 /nfs/dbraw/zinc/78/82/72/719788272.db2.gz AYUNSYHUEVTZAW-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279609 719788277 /nfs/dbraw/zinc/78/82/77/719788277.db2.gz AYUNSYHUEVTZAW-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279609 719788278 /nfs/dbraw/zinc/78/82/78/719788278.db2.gz AYUNSYHUEVTZAW-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279894 719792309 /nfs/dbraw/zinc/79/23/09/719792309.db2.gz LWZYAQRWGHWRMX-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279894 719792310 /nfs/dbraw/zinc/79/23/10/719792310.db2.gz LWZYAQRWGHWRMX-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279894 719792313 /nfs/dbraw/zinc/79/23/13/719792313.db2.gz LWZYAQRWGHWRMX-IZZBFERCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292656 719822264 /nfs/dbraw/zinc/82/22/64/719822264.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292656 719822269 /nfs/dbraw/zinc/82/22/69/719822269.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292656 719822275 /nfs/dbraw/zinc/82/22/75/719822275.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295788 719837598 /nfs/dbraw/zinc/83/75/98/719837598.db2.gz FFVYOOWOORYZON-KDURUIRLSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982402480 720016953 /nfs/dbraw/zinc/01/69/53/720016953.db2.gz PXEGLMRTSOWYCH-SESVDKBCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001026370767 720414496 /nfs/dbraw/zinc/41/44/96/720414496.db2.gz YDXXKGYBSCVJPH-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985593301 724691054 /nfs/dbraw/zinc/69/10/54/724691054.db2.gz JYDJDPFUXIPFEI-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985593301 724691056 /nfs/dbraw/zinc/69/10/56/724691056.db2.gz JYDJDPFUXIPFEI-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985593301 724691058 /nfs/dbraw/zinc/69/10/58/724691058.db2.gz JYDJDPFUXIPFEI-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001026565015 720755247 /nfs/dbraw/zinc/75/52/47/720755247.db2.gz QBADFZUASZKVAN-TUNPWDSISA-N 2 1 341.499 2.535 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610237 720820651 /nfs/dbraw/zinc/82/06/51/720820651.db2.gz IEWZKYKSTDMMLI-UYSNPLJNSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618300 720953468 /nfs/dbraw/zinc/95/34/68/720953468.db2.gz UPBPPOVFDDBZMM-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641516 721034012 /nfs/dbraw/zinc/03/40/12/721034012.db2.gz NVJAFEWPBJCKKZ-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641516 721034016 /nfs/dbraw/zinc/03/40/16/721034016.db2.gz NVJAFEWPBJCKKZ-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641516 721034018 /nfs/dbraw/zinc/03/40/18/721034018.db2.gz NVJAFEWPBJCKKZ-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@]2(C)C1 ZINC000982724976 721131351 /nfs/dbraw/zinc/13/13/51/721131351.db2.gz HUSASABKNCQBOB-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982724976 721131355 /nfs/dbraw/zinc/13/13/55/721131355.db2.gz HUSASABKNCQBOB-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982724976 721131356 /nfs/dbraw/zinc/13/13/56/721131356.db2.gz HUSASABKNCQBOB-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725871 721131517 /nfs/dbraw/zinc/13/15/17/721131517.db2.gz PDCHWAQQPUWOJS-IZZBFERCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982727164 721132607 /nfs/dbraw/zinc/13/26/07/721132607.db2.gz CVYZBZGEVAMIMI-BGYRXZFFSA-N 2 1 342.487 2.508 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982727164 721132610 /nfs/dbraw/zinc/13/26/10/721132610.db2.gz CVYZBZGEVAMIMI-BGYRXZFFSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982729516 721133632 /nfs/dbraw/zinc/13/36/32/721133632.db2.gz YEEQLEROQOPJMX-BGYRXZFFSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982729516 721133635 /nfs/dbraw/zinc/13/36/35/721133635.db2.gz YEEQLEROQOPJMX-BGYRXZFFSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC000982774388 721169731 /nfs/dbraw/zinc/16/97/31/721169731.db2.gz MBPWNFLGWVQYPA-HBMCJLEFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982774388 721169734 /nfs/dbraw/zinc/16/97/34/721169734.db2.gz MBPWNFLGWVQYPA-HBMCJLEFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982774388 721169736 /nfs/dbraw/zinc/16/97/36/721169736.db2.gz MBPWNFLGWVQYPA-HBMCJLEFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974641986 721230994 /nfs/dbraw/zinc/23/09/94/721230994.db2.gz IMLGMSYSKAMGSE-HNNXBMFYSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974641986 721230996 /nfs/dbraw/zinc/23/09/96/721230996.db2.gz IMLGMSYSKAMGSE-HNNXBMFYSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831221 721303003 /nfs/dbraw/zinc/30/30/03/721303003.db2.gz JIRAOYGRQQKOOE-LFGUQSLTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304085 /nfs/dbraw/zinc/30/40/85/721304085.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304090 /nfs/dbraw/zinc/30/40/90/721304090.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304093 /nfs/dbraw/zinc/30/40/93/721304093.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982834355 721308306 /nfs/dbraw/zinc/30/83/06/721308306.db2.gz XMDHBZPLIFJFKX-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982834355 721308308 /nfs/dbraw/zinc/30/83/08/721308308.db2.gz XMDHBZPLIFJFKX-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982834355 721308312 /nfs/dbraw/zinc/30/83/12/721308312.db2.gz XMDHBZPLIFJFKX-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985645672 724750018 /nfs/dbraw/zinc/75/00/18/724750018.db2.gz BLGPDESOTFTUNN-LJQANCHMSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985645672 724750022 /nfs/dbraw/zinc/75/00/22/724750022.db2.gz BLGPDESOTFTUNN-LJQANCHMSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974757324 721393303 /nfs/dbraw/zinc/39/33/03/721393303.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757324 721393308 /nfs/dbraw/zinc/39/33/08/721393308.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757324 721393311 /nfs/dbraw/zinc/39/33/11/721393311.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862801 721484779 /nfs/dbraw/zinc/48/47/79/721484779.db2.gz LYEINZXIJTXGEB-IBGZPJMESA-N 2 1 343.515 2.807 20 30 EFEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCSC2(CCCCC2)C1 ZINC000261804935 721693072 /nfs/dbraw/zinc/69/30/72/721693072.db2.gz RVUIBLBBSWKGCK-UHFFFAOYSA-N 2 1 349.548 2.909 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985687790 724797196 /nfs/dbraw/zinc/79/71/96/724797196.db2.gz XTJQKZIDDBRAIR-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709971 721876861 /nfs/dbraw/zinc/87/68/61/721876861.db2.gz GQVLMSMPYFLWKR-INIZCTEOSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709971 721876863 /nfs/dbraw/zinc/87/68/63/721876863.db2.gz GQVLMSMPYFLWKR-INIZCTEOSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985695570 724807999 /nfs/dbraw/zinc/80/79/99/724807999.db2.gz ZZJYSPVDVULBHD-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985695570 724808001 /nfs/dbraw/zinc/80/80/01/724808001.db2.gz ZZJYSPVDVULBHD-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000924986748 722018440 /nfs/dbraw/zinc/01/84/40/722018440.db2.gz MVLPGBYQVRCZED-UHFFFAOYSA-N 2 1 337.508 2.920 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919446 722096819 /nfs/dbraw/zinc/09/68/19/722096819.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919446 722096811 /nfs/dbraw/zinc/09/68/11/722096811.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919446 722096813 /nfs/dbraw/zinc/09/68/13/722096813.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919446 722096815 /nfs/dbraw/zinc/09/68/15/722096815.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919446 722096817 /nfs/dbraw/zinc/09/68/17/722096817.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262997583 724830970 /nfs/dbraw/zinc/83/09/70/724830970.db2.gz WQNNQTDXRBJYGW-UHFFFAOYSA-N 2 1 346.475 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801462 723339575 /nfs/dbraw/zinc/33/95/75/723339575.db2.gz NHQBRJYAXLPVIE-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985428832 724324467 /nfs/dbraw/zinc/32/44/67/724324467.db2.gz LRHQXIIRWPVBHQ-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985428832 724324472 /nfs/dbraw/zinc/32/44/72/724324472.db2.gz LRHQXIIRWPVBHQ-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985752040 724857424 /nfs/dbraw/zinc/85/74/24/724857424.db2.gz QUSYAJRYWDCTNQ-DOTOQJQBSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985805873 724899534 /nfs/dbraw/zinc/89/95/34/724899534.db2.gz ZBZQGRZHMWAZAG-HUUCEWRRSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009022 725459603 /nfs/dbraw/zinc/45/96/03/725459603.db2.gz FIOLDUJAUATEAY-QWFCFKBJSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4nc[nH]c43)CCC[C@H]12 ZINC000992165381 725578507 /nfs/dbraw/zinc/57/85/07/725578507.db2.gz DXJFFKMVOYPONN-URLQWDBASA-N 2 1 328.460 2.519 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171903 725587094 /nfs/dbraw/zinc/58/70/94/725587094.db2.gz ZCYXUBPROCQXJC-FPOVZHCZSA-N 2 1 341.499 2.704 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@H]12 ZINC000992239040 725638372 /nfs/dbraw/zinc/63/83/72/725638372.db2.gz HSNZUZLBLRRQLQ-HBXLWWENSA-N 2 1 342.487 2.603 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266730 725658264 /nfs/dbraw/zinc/65/82/64/725658264.db2.gz ZMYPDMNRWQBVJJ-QFBILLFUSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266730 725658267 /nfs/dbraw/zinc/65/82/67/725658267.db2.gz ZMYPDMNRWQBVJJ-QFBILLFUSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355537 725742358 /nfs/dbraw/zinc/74/23/58/725742358.db2.gz XNWLVKVUEYMSTE-ICSRJNTNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355537 725742360 /nfs/dbraw/zinc/74/23/60/725742360.db2.gz XNWLVKVUEYMSTE-ICSRJNTNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992366606 725749561 /nfs/dbraw/zinc/74/95/61/725749561.db2.gz GDNOBKCEFOOGHG-ICSRJNTNSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992508319 725911661 /nfs/dbraw/zinc/91/16/61/725911661.db2.gz LUKKDBDMGFXCRN-ICSRJNTNSA-N 2 1 327.472 2.661 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057311 725950319 /nfs/dbraw/zinc/95/03/19/725950319.db2.gz VJWKYUNGFKSSHB-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199977 726237964 /nfs/dbraw/zinc/23/79/64/726237964.db2.gz DIOYOXXKMMVXDL-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199977 726237965 /nfs/dbraw/zinc/23/79/65/726237965.db2.gz DIOYOXXKMMVXDL-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199977 726237969 /nfs/dbraw/zinc/23/79/69/726237969.db2.gz DIOYOXXKMMVXDL-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993621302 727329395 /nfs/dbraw/zinc/32/93/95/727329395.db2.gz JTXYFFLMQPUUEC-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993624081 727346307 /nfs/dbraw/zinc/34/63/07/727346307.db2.gz RLXURLUQONFOMD-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993624081 727346310 /nfs/dbraw/zinc/34/63/10/727346310.db2.gz RLXURLUQONFOMD-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993804537 727526760 /nfs/dbraw/zinc/52/67/60/727526760.db2.gz LCOZKFJLICEJMP-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993906774 727557989 /nfs/dbraw/zinc/55/79/89/727557989.db2.gz SHDHBWKZJGIJTD-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993906774 727557992 /nfs/dbraw/zinc/55/79/92/727557992.db2.gz SHDHBWKZJGIJTD-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993906776 727558110 /nfs/dbraw/zinc/55/81/10/727558110.db2.gz SHDHBWKZJGIJTD-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993906776 727558111 /nfs/dbraw/zinc/55/81/11/727558111.db2.gz SHDHBWKZJGIJTD-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012636 727580005 /nfs/dbraw/zinc/58/00/05/727580005.db2.gz VWOMLYFCWICMIV-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994469450 727762776 /nfs/dbraw/zinc/76/27/76/727762776.db2.gz JIKXNVRTZZXMKU-FUHWJXTLSA-N 2 1 345.487 2.727 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994503350 727772820 /nfs/dbraw/zinc/77/28/20/727772820.db2.gz VHXDRASYZLPVDV-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102489 728297411 /nfs/dbraw/zinc/29/74/11/728297411.db2.gz ZNVMWIKUAKEJEQ-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918935 728360082 /nfs/dbraw/zinc/36/00/82/728360082.db2.gz XDMYNKWQAOFPRH-LJQANCHMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765618 728364334 /nfs/dbraw/zinc/36/43/34/728364334.db2.gz ABEYDTXPJJBEID-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000948765618 728364339 /nfs/dbraw/zinc/36/43/39/728364339.db2.gz ABEYDTXPJJBEID-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829347 728530787 /nfs/dbraw/zinc/53/07/87/728530787.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829347 728530790 /nfs/dbraw/zinc/53/07/90/728530790.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829347 728530792 /nfs/dbraw/zinc/53/07/92/728530792.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070499 729474860 /nfs/dbraw/zinc/47/48/60/729474860.db2.gz PXWUQGZCFHZZAR-YLJYHZDGSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070497 729475313 /nfs/dbraw/zinc/47/53/13/729475313.db2.gz PXWUQGZCFHZZAR-XLIONFOSSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849780 1088117737 /nfs/dbraw/zinc/11/77/37/1088117737.db2.gz QUTMHMMOCFHDNW-MSOLQXFVSA-N 2 1 349.906 2.968 20 30 EFEDMP C=CC[C@]1(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888358 1088138650 /nfs/dbraw/zinc/13/86/50/1088138650.db2.gz COWVGBLMFYYSKI-TZIWHRDSSA-N 2 1 341.499 2.808 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574902025 1088145105 /nfs/dbraw/zinc/14/51/05/1088145105.db2.gz ZDEPVUHIQVSMBJ-OALUTQOASA-N 2 1 329.488 2.793 20 30 EFEDMP N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC001580078277 1090765896 /nfs/dbraw/zinc/76/58/96/1090765896.db2.gz SCAKLOBLYNNOOC-SXLOBPIMSA-N 2 1 343.471 2.688 20 30 EFEDMP N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC001580078275 1090766057 /nfs/dbraw/zinc/76/60/57/1090766057.db2.gz SCAKLOBLYNNOOC-MISYRCLQSA-N 2 1 343.471 2.688 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001588430588 1092944580 /nfs/dbraw/zinc/94/45/80/1092944580.db2.gz RXXTZNHRCNVRAP-GOSISDBHSA-N 2 1 340.475 2.948 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454275 1093044287 /nfs/dbraw/zinc/04/42/87/1093044287.db2.gz PEZVJEXEEKZXSJ-AZUAARDMSA-N 2 1 347.547 2.691 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461461 1093318905 /nfs/dbraw/zinc/31/89/05/1093318905.db2.gz HVELORPUXYXSHE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461461 1093318913 /nfs/dbraw/zinc/31/89/13/1093318913.db2.gz HVELORPUXYXSHE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461461 1093318923 /nfs/dbraw/zinc/31/89/23/1093318923.db2.gz HVELORPUXYXSHE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529770 1094755607 /nfs/dbraw/zinc/75/56/07/1094755607.db2.gz OMCLHRCERABJFP-HBFSDRIKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293157 1095023615 /nfs/dbraw/zinc/02/36/15/1095023615.db2.gz ZGEFLMKLIKDHRE-JLSDUUJJSA-N 2 1 338.455 2.968 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531606 1095087920 /nfs/dbraw/zinc/08/79/20/1095087920.db2.gz HQWAKLXBYUXUBO-PXNSSMCTSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087298042 1095096842 /nfs/dbraw/zinc/09/68/42/1095096842.db2.gz YNCLYUYQKIFBCK-NZSAHSFTSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087298042 1095096854 /nfs/dbraw/zinc/09/68/54/1095096854.db2.gz YNCLYUYQKIFBCK-NZSAHSFTSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421019 1095119358 /nfs/dbraw/zinc/11/93/58/1095119358.db2.gz YSTNHPOYDSPNCW-HUUCEWRRSA-N 2 1 341.927 2.734 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307116 1095195773 /nfs/dbraw/zinc/19/57/73/1095195773.db2.gz UICOPCYIGXLROI-HOJAQTOUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825671 1095212754 /nfs/dbraw/zinc/21/27/54/1095212754.db2.gz SKUOXMRIHOTPNH-ICSRJNTNSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694055 1095622432 /nfs/dbraw/zinc/62/24/32/1095622432.db2.gz BKKWVWFUKLVPJU-GOSISDBHSA-N 2 1 333.520 2.540 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752551 1095645666 /nfs/dbraw/zinc/64/56/66/1095645666.db2.gz GRVMDFOECWLFTO-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729820 1096608668 /nfs/dbraw/zinc/60/86/68/1096608668.db2.gz KAOODMDXBDRBHK-ZWKOTPCHSA-N 2 1 349.906 2.663 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001482224127 1098183790 /nfs/dbraw/zinc/18/37/90/1098183790.db2.gz XFUAYBZZCANXPH-MRXNPFEDSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001482229595 1098218776 /nfs/dbraw/zinc/21/87/76/1098218776.db2.gz DPJFALWARJKOKP-UHFFFAOYSA-N 2 1 329.916 2.735 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001269584472 1098269058 /nfs/dbraw/zinc/26/90/58/1098269058.db2.gz YNCBLPQWECNYLM-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001269584472 1098269063 /nfs/dbraw/zinc/26/90/63/1098269063.db2.gz YNCBLPQWECNYLM-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001269584472 1098269071 /nfs/dbraw/zinc/26/90/71/1098269071.db2.gz YNCBLPQWECNYLM-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001482242465 1098440796 /nfs/dbraw/zinc/44/07/96/1098440796.db2.gz APCLGGZDXOYMHP-GOSISDBHSA-N 2 1 335.536 2.975 20 30 EFEDMP N#Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167974314 1099353270 /nfs/dbraw/zinc/35/32/70/1099353270.db2.gz VPZQKBAMQLXLAH-YQQQUEKLSA-N 2 1 325.456 2.932 20 30 EFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010384 1099356720 /nfs/dbraw/zinc/35/67/20/1099356720.db2.gz JFTBDLLFWNMXAB-QRVBRYPASA-N 2 1 335.536 2.759 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676064 1099781101 /nfs/dbraw/zinc/78/11/01/1099781101.db2.gz BDLUILFMUIZUMU-RBUKOAKNSA-N 2 1 343.515 2.735 20 30 EFEDMP CCOC(=O)C1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002073 1099957635 /nfs/dbraw/zinc/95/76/35/1099957635.db2.gz DBISFPKPXCOGAH-JWTNVVGKSA-N 2 1 345.487 2.561 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041195 /nfs/dbraw/zinc/04/11/95/1100041195.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041204 /nfs/dbraw/zinc/04/12/04/1100041204.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041212 /nfs/dbraw/zinc/04/12/12/1100041212.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573101 1100540889 /nfs/dbraw/zinc/54/08/89/1100540889.db2.gz UABZKLYEOXKIJU-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573101 1100540893 /nfs/dbraw/zinc/54/08/93/1100540893.db2.gz UABZKLYEOXKIJU-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573101 1100540899 /nfs/dbraw/zinc/54/08/99/1100540899.db2.gz UABZKLYEOXKIJU-YSIASYRMSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602558 1100580076 /nfs/dbraw/zinc/58/00/76/1100580076.db2.gz UNMBUSDHNSYPGG-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728281 1100706512 /nfs/dbraw/zinc/70/65/12/1100706512.db2.gz OCCGWPFUGARMIM-VQTJNVASSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020168 1101205771 /nfs/dbraw/zinc/20/57/71/1101205771.db2.gz XFHPYVFDRYTXMO-SJORKVTESA-N 2 1 338.455 2.613 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053216 1101251129 /nfs/dbraw/zinc/25/11/29/1101251129.db2.gz ZCKOYISYNUYHIP-HSALFYBXSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312502 1101588767 /nfs/dbraw/zinc/58/87/67/1101588767.db2.gz GAORYZFNAPCSAZ-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129810 1101623092 /nfs/dbraw/zinc/62/30/92/1101623092.db2.gz HKHMRAWSFGARQG-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166680 1101728557 /nfs/dbraw/zinc/72/85/57/1101728557.db2.gz NHNKOZDNGKAPNP-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166680 1101728566 /nfs/dbraw/zinc/72/85/66/1101728566.db2.gz NHNKOZDNGKAPNP-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166680 1101728572 /nfs/dbraw/zinc/72/85/72/1101728572.db2.gz NHNKOZDNGKAPNP-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437981 1101737584 /nfs/dbraw/zinc/73/75/84/1101737584.db2.gz LCYBYJOGGXCNCY-HOTGVXAUSA-N 2 1 339.911 2.632 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232533 1102098137 /nfs/dbraw/zinc/09/81/37/1102098137.db2.gz GJPXZXLMPWHERI-LJQANCHMSA-N 2 1 339.499 2.651 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240333 1102125775 /nfs/dbraw/zinc/12/57/75/1102125775.db2.gz JFSZNZGGTFKAKM-KRWDZBQOSA-N 2 1 335.536 2.949 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001482497312 1102350827 /nfs/dbraw/zinc/35/08/27/1102350827.db2.gz DHLCFBBHLFNREW-GOEBONIOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001104274254 1102430989 /nfs/dbraw/zinc/43/09/89/1102430989.db2.gz KHDJHPMANYZYDF-IXDOHACOSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039213463 1102776090 /nfs/dbraw/zinc/77/60/90/1102776090.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213463 1102776104 /nfs/dbraw/zinc/77/61/04/1102776104.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213463 1102776119 /nfs/dbraw/zinc/77/61/19/1102776119.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291587 1102856339 /nfs/dbraw/zinc/85/63/39/1102856339.db2.gz PJFWMJSKUBWJSZ-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324974 1102925208 /nfs/dbraw/zinc/92/52/08/1102925208.db2.gz DYRHHLSCFOSKDM-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367238 1103193672 /nfs/dbraw/zinc/19/36/72/1103193672.db2.gz FRRATEZCBRFKIA-ICSRJNTNSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088369955 1103203450 /nfs/dbraw/zinc/20/34/50/1103203450.db2.gz WXKHGVFOOQVDBE-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088382114 1103339802 /nfs/dbraw/zinc/33/98/02/1103339802.db2.gz UOOMUJKWRUXFMZ-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991065332 1103369666 /nfs/dbraw/zinc/36/96/66/1103369666.db2.gz FKRCHUJTAUCLEG-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991065332 1103369677 /nfs/dbraw/zinc/36/96/77/1103369677.db2.gz FKRCHUJTAUCLEG-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991065332 1103369689 /nfs/dbraw/zinc/36/96/89/1103369689.db2.gz FKRCHUJTAUCLEG-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396574 1103370481 /nfs/dbraw/zinc/37/04/81/1103370481.db2.gz VXPURSPEYKVGLE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396574 1103370490 /nfs/dbraw/zinc/37/04/90/1103370490.db2.gz VXPURSPEYKVGLE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396574 1103370503 /nfs/dbraw/zinc/37/05/03/1103370503.db2.gz VXPURSPEYKVGLE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396574 1103370514 /nfs/dbraw/zinc/37/05/14/1103370514.db2.gz VXPURSPEYKVGLE-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088411441 1103483473 /nfs/dbraw/zinc/48/34/73/1103483473.db2.gz HDSRYQYEQQBTCH-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212142926 1104080124 /nfs/dbraw/zinc/08/01/24/1104080124.db2.gz WZTPPNHLNAUNJD-HNNXBMFYSA-N 2 1 331.395 2.915 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378212 1104115989 /nfs/dbraw/zinc/11/59/89/1104115989.db2.gz RHXIYLZHOJKBMY-NRFANRHFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379704 1104132001 /nfs/dbraw/zinc/13/20/01/1104132001.db2.gz ODFWQGAPNXNVDK-VQTJNVASSA-N 2 1 334.504 2.687 20 30 EFEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001105447383 1104213933 /nfs/dbraw/zinc/21/39/33/1104213933.db2.gz DSZZUADTPQNQJL-TYKWCNGQSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906508733 1104255865 /nfs/dbraw/zinc/25/58/65/1104255865.db2.gz XDEZZMGPITXKTF-HAQNSBGRSA-N 2 1 341.249 2.602 20 30 EFEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC([NH3+])C2)cc1OC ZINC000906508734 1104255883 /nfs/dbraw/zinc/25/58/83/1104255883.db2.gz XDEZZMGPITXKTF-UHFFFAOYSA-N 2 1 341.249 2.602 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428230 1104538202 /nfs/dbraw/zinc/53/82/02/1104538202.db2.gz XFEPWLAAQWWKMA-SJORKVTESA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001665463146 1104699918 /nfs/dbraw/zinc/69/99/18/1104699918.db2.gz UCYGBEKHVWOLOB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001665463146 1104699924 /nfs/dbraw/zinc/69/99/24/1104699924.db2.gz UCYGBEKHVWOLOB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665463146 1104699930 /nfs/dbraw/zinc/69/99/30/1104699930.db2.gz UCYGBEKHVWOLOB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105540021 1105910957 /nfs/dbraw/zinc/91/09/57/1105910957.db2.gz WXWQLXLIEDMHEK-KURKYZTESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105540022 1105911013 /nfs/dbraw/zinc/91/10/13/1105911013.db2.gz WXWQLXLIEDMHEK-KZNAEPCWSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544637 1105922592 /nfs/dbraw/zinc/92/25/92/1105922592.db2.gz OYKCUYOOGRQIQY-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563313 1105942480 /nfs/dbraw/zinc/94/24/80/1105942480.db2.gz JRCVDIKKXUTYFQ-GOSISDBHSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576579 1105964143 /nfs/dbraw/zinc/96/41/43/1105964143.db2.gz IGUAXRPVEIQPJN-GOSISDBHSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576554 1105964606 /nfs/dbraw/zinc/96/46/06/1105964606.db2.gz HFJOZZWOAUSBSI-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743359 1106623549 /nfs/dbraw/zinc/62/35/49/1106623549.db2.gz LCKGFVOBIWVDDE-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743359 1106623553 /nfs/dbraw/zinc/62/35/53/1106623553.db2.gz LCKGFVOBIWVDDE-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070490 1107405874 /nfs/dbraw/zinc/40/58/74/1107405874.db2.gz IBDLJBZDJZEYDZ-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333552 /nfs/dbraw/zinc/33/35/52/1108333552.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333565 /nfs/dbraw/zinc/33/35/65/1108333565.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333579 /nfs/dbraw/zinc/33/35/79/1108333579.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133236 1108523313 /nfs/dbraw/zinc/52/33/13/1108523313.db2.gz HJCQYBUIPRUHAA-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149649 1108657028 /nfs/dbraw/zinc/65/70/28/1108657028.db2.gz PSMBLFUZBPPCGE-NCXUSEDFSA-N 2 1 335.536 2.757 20 30 EFEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000924722986 1108869853 /nfs/dbraw/zinc/86/98/53/1108869853.db2.gz PULOPRULXSKOBV-QGZVFWFLSA-N 2 1 328.504 2.852 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168462774 1111078584 /nfs/dbraw/zinc/07/85/84/1111078584.db2.gz FKRGUGGTSXHARC-UHFFFAOYSA-N 2 1 343.515 2.961 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168462774 1111078586 /nfs/dbraw/zinc/07/85/86/1111078586.db2.gz FKRGUGGTSXHARC-UHFFFAOYSA-N 2 1 343.515 2.961 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255618 1111233370 /nfs/dbraw/zinc/23/33/70/1111233370.db2.gz ASTWXLSRNZEVFT-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229253 1111564053 /nfs/dbraw/zinc/56/40/53/1111564053.db2.gz ICMLIISLKLXSAO-ZWKOTPCHSA-N 2 1 335.536 2.737 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571397 1111638542 /nfs/dbraw/zinc/63/85/42/1111638542.db2.gz YMZLDXKFZVJKAT-HYVNUMGLSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765591 1111811787 /nfs/dbraw/zinc/81/17/87/1111811787.db2.gz KEGHSRXWZQMAOQ-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106866208 1111929099 /nfs/dbraw/zinc/92/90/99/1111929099.db2.gz ZWMWKSPDYRKDEE-BHIYHBOVSA-N 2 1 329.488 2.550 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386302 1112049468 /nfs/dbraw/zinc/04/94/68/1112049468.db2.gz OHKOKHJPEXABHN-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392043 1112058178 /nfs/dbraw/zinc/05/81/78/1112058178.db2.gz RFSZVDVRRSLYFK-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392043 1112058182 /nfs/dbraw/zinc/05/81/82/1112058182.db2.gz RFSZVDVRRSLYFK-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392043 1112058186 /nfs/dbraw/zinc/05/81/86/1112058186.db2.gz RFSZVDVRRSLYFK-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405633 1112077259 /nfs/dbraw/zinc/07/72/59/1112077259.db2.gz CXJROAAJLCWPNV-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405633 1112077261 /nfs/dbraw/zinc/07/72/61/1112077261.db2.gz CXJROAAJLCWPNV-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425960 1112115401 /nfs/dbraw/zinc/11/54/01/1112115401.db2.gz GHWQPWGVRBJVER-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425960 1112115404 /nfs/dbraw/zinc/11/54/04/1112115404.db2.gz GHWQPWGVRBJVER-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425960 1112115406 /nfs/dbraw/zinc/11/54/06/1112115406.db2.gz GHWQPWGVRBJVER-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425955 1112115614 /nfs/dbraw/zinc/11/56/14/1112115614.db2.gz GHWQPWGVRBJVER-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425955 1112115617 /nfs/dbraw/zinc/11/56/17/1112115617.db2.gz GHWQPWGVRBJVER-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425955 1112115619 /nfs/dbraw/zinc/11/56/19/1112115619.db2.gz GHWQPWGVRBJVER-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441120 1112149968 /nfs/dbraw/zinc/14/99/68/1112149968.db2.gz FRCOMMNPUVTVCD-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445621 1112158144 /nfs/dbraw/zinc/15/81/44/1112158144.db2.gz KPUYANRGJPALRA-QZTJIDSGSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491434 1112226584 /nfs/dbraw/zinc/22/65/84/1112226584.db2.gz NRGCGLMSLGNNKN-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491434 1112226586 /nfs/dbraw/zinc/22/65/86/1112226586.db2.gz NRGCGLMSLGNNKN-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506545 1112251982 /nfs/dbraw/zinc/25/19/82/1112251982.db2.gz LXHCTXMFSFAVFD-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506545 1112251985 /nfs/dbraw/zinc/25/19/85/1112251985.db2.gz LXHCTXMFSFAVFD-QGZVFWFLSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255461 /nfs/dbraw/zinc/25/54/61/1112255461.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255462 /nfs/dbraw/zinc/25/54/62/1112255462.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255465 /nfs/dbraw/zinc/25/54/65/1112255465.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527420 1112270806 /nfs/dbraw/zinc/27/08/06/1112270806.db2.gz PBHKDGRVEQNXQW-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534039 1112280120 /nfs/dbraw/zinc/28/01/20/1112280120.db2.gz NBYRBBWECNLACV-LJQANCHMSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565630 1112318314 /nfs/dbraw/zinc/31/83/14/1112318314.db2.gz UYQKNXPUGFSHGK-GOSISDBHSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272671710 1112354744 /nfs/dbraw/zinc/35/47/44/1112354744.db2.gz CLINXLORSVMOCI-UHFFFAOYSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649104 1112463579 /nfs/dbraw/zinc/46/35/79/1112463579.db2.gz ARZKQDAMGRANIZ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649104 1112463582 /nfs/dbraw/zinc/46/35/82/1112463582.db2.gz ARZKQDAMGRANIZ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650080 1112475057 /nfs/dbraw/zinc/47/50/57/1112475057.db2.gz UFKDSXJQKUGCOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089650080 1112475061 /nfs/dbraw/zinc/47/50/61/1112475061.db2.gz UFKDSXJQKUGCOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089650080 1112475065 /nfs/dbraw/zinc/47/50/65/1112475065.db2.gz UFKDSXJQKUGCOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089650049 1112475091 /nfs/dbraw/zinc/47/50/91/1112475091.db2.gz SEEZEZJNZBWWDT-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089650049 1112475093 /nfs/dbraw/zinc/47/50/93/1112475093.db2.gz SEEZEZJNZBWWDT-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089650049 1112475096 /nfs/dbraw/zinc/47/50/96/1112475096.db2.gz SEEZEZJNZBWWDT-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089650049 1112475100 /nfs/dbraw/zinc/47/51/00/1112475100.db2.gz SEEZEZJNZBWWDT-RBUKOAKNSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(Cl)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659038 1112589074 /nfs/dbraw/zinc/58/90/74/1112589074.db2.gz RFXJQQKZBOVASP-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660261 1112593402 /nfs/dbraw/zinc/59/34/02/1112593402.db2.gz GAQUXUJMQBCBFK-IAGOWNOFSA-N 2 1 344.503 2.628 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710625 1112904614 /nfs/dbraw/zinc/90/46/14/1112904614.db2.gz LFXUPCNYOUVRFN-LJQANCHMSA-N 2 1 341.499 2.602 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718152 1112928720 /nfs/dbraw/zinc/92/87/20/1112928720.db2.gz LHITVCSVISWVFH-LJQANCHMSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484830223 1117748482 /nfs/dbraw/zinc/74/84/82/1117748482.db2.gz NXYXWXZUTYISNF-UYAOXDASSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089821639 1117924180 /nfs/dbraw/zinc/92/41/80/1117924180.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821639 1117924183 /nfs/dbraw/zinc/92/41/83/1117924183.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821639 1117924185 /nfs/dbraw/zinc/92/41/85/1117924185.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCCCCC[N@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001272703088 1118685843 /nfs/dbraw/zinc/68/58/43/1118685843.db2.gz YZPFSHVSLAQKPY-FQEVSTJZSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272710428 1118779534 /nfs/dbraw/zinc/77/95/34/1118779534.db2.gz WVRGAMSSXKXABD-FQEVSTJZSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581433 1118989582 /nfs/dbraw/zinc/98/95/82/1118989582.db2.gz GQUCUGYJQXMETL-DOTOQJQBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942722890 1119086604 /nfs/dbraw/zinc/08/66/04/1119086604.db2.gz PQNGBDQAYXSGFI-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875588 1119766291 /nfs/dbraw/zinc/76/62/91/1119766291.db2.gz FBQUSAKFGMGYPL-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875570 1119766312 /nfs/dbraw/zinc/76/63/12/1119766312.db2.gz DTGHDUHETSWDRC-QFBILLFUSA-N 2 1 338.455 2.889 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047089 1119894323 /nfs/dbraw/zinc/89/43/23/1119894323.db2.gz NTCOTYWIPJGIAI-FXAWDEMLSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167333 1119975563 /nfs/dbraw/zinc/97/55/63/1119975563.db2.gz COIFZGSOVBPSKW-WBVHZDCISA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167333 1119975565 /nfs/dbraw/zinc/97/55/65/1119975565.db2.gz COIFZGSOVBPSKW-WBVHZDCISA-N 2 1 330.476 2.554 20 30 EFEDMP C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262374514 240349091 /nfs/dbraw/zinc/34/90/91/240349091.db2.gz JFXJLKRXSVXRAW-BGVWBIDGSA-N 2 1 340.515 2.798 20 30 EFEDMP C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262374520 240349589 /nfs/dbraw/zinc/34/95/89/240349589.db2.gz JFXJLKRXSVXRAW-NWJVMNJYSA-N 2 1 340.515 2.798 20 30 EFEDMP C[NH+]=C(NC1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262482542 240356419 /nfs/dbraw/zinc/35/64/19/240356419.db2.gz RUUMAWFNQOHFRO-FQEVSTJZSA-N 2 1 326.488 2.712 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277315 240092549 /nfs/dbraw/zinc/09/25/49/240092549.db2.gz DAAGJEBNWNBPPJ-LSTHTHJFSA-N 2 1 327.472 2.815 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270841 240266737 /nfs/dbraw/zinc/26/67/37/240266737.db2.gz ADUKVGXOMBTXKJ-JENIJYKNSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270841 240266747 /nfs/dbraw/zinc/26/67/47/240266747.db2.gz ADUKVGXOMBTXKJ-JENIJYKNSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270841 240266754 /nfs/dbraw/zinc/26/67/54/240266754.db2.gz ADUKVGXOMBTXKJ-JENIJYKNSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270841 240266762 /nfs/dbraw/zinc/26/67/62/240266762.db2.gz ADUKVGXOMBTXKJ-JENIJYKNSA-N 2 1 331.504 2.524 20 30 EFEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000247247354 240278474 /nfs/dbraw/zinc/27/84/74/240278474.db2.gz PGUCODBBIAAXTE-RXVVDRJESA-N 2 1 344.499 2.925 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247352941 240280111 /nfs/dbraw/zinc/28/01/11/240280111.db2.gz PKROFRNFRDFDJJ-BHIYHBOVSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247352941 240280122 /nfs/dbraw/zinc/28/01/22/240280122.db2.gz PKROFRNFRDFDJJ-BHIYHBOVSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000247352941 240280128 /nfs/dbraw/zinc/28/01/28/240280128.db2.gz PKROFRNFRDFDJJ-BHIYHBOVSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000247352941 240280137 /nfs/dbraw/zinc/28/01/37/240280137.db2.gz PKROFRNFRDFDJJ-BHIYHBOVSA-N 2 1 332.488 2.569 20 30 EFEDMP C[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCSC(C)(C)C1 ZINC000261747431 240321774 /nfs/dbraw/zinc/32/17/74/240321774.db2.gz BWXYMZSJEYQYLZ-OAHLLOKOSA-N 2 1 326.554 2.510 20 30 EFEDMP C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261936705 240329262 /nfs/dbraw/zinc/32/92/62/240329262.db2.gz CRINEPFXJGVLFW-CXAGYDPISA-N 2 1 340.471 2.889 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000262018515 240342252 /nfs/dbraw/zinc/34/22/52/240342252.db2.gz WWFQOFWDPDGHRU-HUUCEWRRSA-N 2 1 346.475 2.695 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000297040693 241107162 /nfs/dbraw/zinc/10/71/62/241107162.db2.gz MNLUOBXLDAMIQR-XVLXNVKGSA-N 2 1 348.535 2.609 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354543656 242004564 /nfs/dbraw/zinc/00/45/64/242004564.db2.gz XWKFINNMQGCBGD-YZGWKJHDSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354543656 242004571 /nfs/dbraw/zinc/00/45/71/242004571.db2.gz XWKFINNMQGCBGD-YZGWKJHDSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354543656 242004580 /nfs/dbraw/zinc/00/45/80/242004580.db2.gz XWKFINNMQGCBGD-YZGWKJHDSA-N 2 1 346.515 2.959 20 30 EFEDMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000365321377 242323042 /nfs/dbraw/zinc/32/30/42/242323042.db2.gz PWDIMXUOHBKOHM-QHGAOEGBSA-N 2 1 327.472 2.701 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000365321377 242323045 /nfs/dbraw/zinc/32/30/45/242323045.db2.gz PWDIMXUOHBKOHM-QHGAOEGBSA-N 2 1 327.472 2.701 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711192 250106557 /nfs/dbraw/zinc/10/65/57/250106557.db2.gz RPTPAWGPWUUQQV-PMACEKPBSA-N 2 1 326.488 2.606 20 30 EFEDMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000343936969 145328180 /nfs/dbraw/zinc/32/81/80/145328180.db2.gz PFOYVYDAFPRDNW-AWEZNQCLSA-N 2 1 342.418 2.884 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174375 145385232 /nfs/dbraw/zinc/38/52/32/145385232.db2.gz QRQNDBBBXHTOLE-JXFKEZNVSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174375 145385233 /nfs/dbraw/zinc/38/52/33/145385233.db2.gz QRQNDBBBXHTOLE-JXFKEZNVSA-N 2 1 326.488 2.595 20 30 EFEDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353500640 146496241 /nfs/dbraw/zinc/49/62/41/146496241.db2.gz GMOSBHZCKQJSRK-GOSISDBHSA-N 2 1 326.488 2.849 20 30 EFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891516 287131432 /nfs/dbraw/zinc/13/14/32/287131432.db2.gz YPIQHAQZUNKZPZ-FUHIMQAGSA-N 2 1 326.488 2.577 20 30 EFEDMP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181407665 266145315 /nfs/dbraw/zinc/14/53/15/266145315.db2.gz KHZSNNTZXZYPOH-HXUWFJFHSA-N 2 1 326.488 2.597 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181407665 266145319 /nfs/dbraw/zinc/14/53/19/266145319.db2.gz KHZSNNTZXZYPOH-HXUWFJFHSA-N 2 1 326.488 2.597 20 30 EFEDMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277131457 267118995 /nfs/dbraw/zinc/11/89/95/267118995.db2.gz IMXIBIYHQIUDMD-IBGZPJMESA-N 2 1 337.471 2.875 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277131457 267118996 /nfs/dbraw/zinc/11/89/96/267118996.db2.gz IMXIBIYHQIUDMD-IBGZPJMESA-N 2 1 337.471 2.875 20 30 EFEDMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766537 267256504 /nfs/dbraw/zinc/25/65/04/267256504.db2.gz MRPBUUQMIZRXDT-MRXNPFEDSA-N 2 1 332.879 2.818 20 30 EFEDMP N#Cc1ccc(OC2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000297325426 268164843 /nfs/dbraw/zinc/16/48/43/268164843.db2.gz CNEYBXSRJBABSF-UHFFFAOYSA-N 2 1 340.471 2.860 20 30 EFEDMP N#Cc1ccc(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000271547713 268165026 /nfs/dbraw/zinc/16/50/26/268165026.db2.gz RTZQHOAOWDMVSZ-YBXZHIRMSA-N 2 1 340.471 2.860 20 30 EFEDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166008 274146207 /nfs/dbraw/zinc/14/62/07/274146207.db2.gz QDRYWWGSRNJADU-GOSISDBHSA-N 2 1 326.488 2.849 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782216 276196818 /nfs/dbraw/zinc/19/68/18/276196818.db2.gz NWNVBBBTDGFPTC-RXVVDRJESA-N 2 1 340.515 2.996 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000176942826 473272063 /nfs/dbraw/zinc/27/20/63/473272063.db2.gz XAKOGXXDXNXTNI-UHFFFAOYSA-N 2 1 327.453 2.742 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083030188 473314495 /nfs/dbraw/zinc/31/44/95/473314495.db2.gz PAWDYSLQYABYNV-DOTOQJQBSA-N 2 1 330.476 2.679 20 30 EFEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000083031526 473316447 /nfs/dbraw/zinc/31/64/47/473316447.db2.gz JOMCELUAHARSOO-HLLBOEOZSA-N 2 1 330.476 2.535 20 30 EFEDMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000116395970 472399543 /nfs/dbraw/zinc/39/95/43/472399543.db2.gz AISNUIHNIZXXSR-RHSMWYFYSA-N 2 1 330.476 2.841 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000076763199 472400276 /nfs/dbraw/zinc/40/02/76/472400276.db2.gz WGYWXZWJBYDSEC-IBGZPJMESA-N 2 1 342.483 2.679 20 30 EFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058834537 472604758 /nfs/dbraw/zinc/60/47/58/472604758.db2.gz AXNDGTHCTNLACW-UHFFFAOYSA-N 2 1 340.471 2.837 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776063 472608589 /nfs/dbraw/zinc/60/85/89/472608589.db2.gz CKTUSEMUSJQOFS-RTBURBONSA-N 2 1 348.535 2.565 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000120232924 472653995 /nfs/dbraw/zinc/65/39/95/472653995.db2.gz BFRSSAHQFIDGSH-SJORKVTESA-N 2 1 329.488 2.699 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000104167992 472659502 /nfs/dbraw/zinc/65/95/02/472659502.db2.gz RHIXUUCJOGBTOC-KBPBESRZSA-N 2 1 334.464 2.551 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC1 ZINC000104192966 472661451 /nfs/dbraw/zinc/66/14/51/472661451.db2.gz BFHSNCAXUZFUNP-SNVBAGLBSA-N 2 1 330.354 2.795 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157346747 472811220 /nfs/dbraw/zinc/81/12/20/472811220.db2.gz MSAXLDHFKSGCSM-QUCCMNQESA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157346747 472811227 /nfs/dbraw/zinc/81/12/27/472811227.db2.gz MSAXLDHFKSGCSM-QUCCMNQESA-N 2 1 344.499 2.573 20 30 EFEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000157393798 472815306 /nfs/dbraw/zinc/81/53/06/472815306.db2.gz OBCOHJOMQYZGKF-SJLPKXTDSA-N 2 1 344.503 2.783 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000079303766 472847026 /nfs/dbraw/zinc/84/70/26/472847026.db2.gz NXVBLWQDZQILEI-SJORKVTESA-N 2 1 329.488 2.841 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762215 472870415 /nfs/dbraw/zinc/87/04/15/472870415.db2.gz POGDUBUEPNXADQ-HNNXBMFYSA-N 2 1 334.895 2.832 20 30 EFEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)NC1CCCCCC1 ZINC000092276924 472886530 /nfs/dbraw/zinc/88/65/30/472886530.db2.gz LRJBEVGXXRQQGG-UHFFFAOYSA-N 2 1 344.503 2.646 20 30 EFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079979179 472953803 /nfs/dbraw/zinc/95/38/03/472953803.db2.gz JCNFZUFYOQUYKS-GOSISDBHSA-N 2 1 348.535 2.583 20 30 EFEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000074319658 472987728 /nfs/dbraw/zinc/98/77/28/472987728.db2.gz RYQXQJCCIYLHCE-UHFFFAOYSA-N 2 1 342.487 2.941 20 30 EFEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000074319658 472987736 /nfs/dbraw/zinc/98/77/36/472987736.db2.gz RYQXQJCCIYLHCE-UHFFFAOYSA-N 2 1 342.487 2.941 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000122460344 473016919 /nfs/dbraw/zinc/01/69/19/473016919.db2.gz BTZIGOPGXQFRSZ-GOSISDBHSA-N 2 1 344.503 2.879 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@H+](CCC)C3)CC1 ZINC000066513957 473108286 /nfs/dbraw/zinc/10/82/86/473108286.db2.gz TUMAJSXGTNLSPU-UHFFFAOYSA-N 2 1 325.456 2.696 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)CC1 ZINC000066513957 473108294 /nfs/dbraw/zinc/10/82/94/473108294.db2.gz TUMAJSXGTNLSPU-UHFFFAOYSA-N 2 1 325.456 2.696 20 30 EFEDMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127231 /nfs/dbraw/zinc/12/72/31/473127231.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 2 1 340.515 2.940 20 30 EFEDMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127235 /nfs/dbraw/zinc/12/72/35/473127235.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 2 1 340.515 2.940 20 30 EFEDMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127239 /nfs/dbraw/zinc/12/72/39/473127239.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 2 1 340.515 2.940 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136588829 473165564 /nfs/dbraw/zinc/16/55/64/473165564.db2.gz OFUXSNRVISFXRM-UXHICEINSA-N 2 1 342.483 2.556 20 30 EFEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000123645565 473168872 /nfs/dbraw/zinc/16/88/72/473168872.db2.gz CTZRYYLYZQETEN-UHFFFAOYSA-N 2 1 328.460 2.551 20 30 EFEDMP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000177681738 473416271 /nfs/dbraw/zinc/41/62/71/473416271.db2.gz LCAJIFAMDYERQG-UHFFFAOYSA-N 2 1 327.453 2.742 20 30 EFEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000190910661 473426426 /nfs/dbraw/zinc/42/64/26/473426426.db2.gz ZBMAFZZGHDELHY-OAHLLOKOSA-N 2 1 328.485 2.960 20 30 EFEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000190910661 473426434 /nfs/dbraw/zinc/42/64/34/473426434.db2.gz ZBMAFZZGHDELHY-OAHLLOKOSA-N 2 1 328.485 2.960 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087199 473439357 /nfs/dbraw/zinc/43/93/57/473439357.db2.gz SNBLWSIHGBYWAB-ZDUSSCGKSA-N 2 1 343.302 2.952 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748387 473504067 /nfs/dbraw/zinc/50/40/67/473504067.db2.gz IXRDKRLNCLQTLS-OKZBNKHCSA-N 2 1 333.520 2.818 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748387 473504071 /nfs/dbraw/zinc/50/40/71/473504071.db2.gz IXRDKRLNCLQTLS-OKZBNKHCSA-N 2 1 333.520 2.818 20 30 EFEDMP CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152488624 473568671 /nfs/dbraw/zinc/56/86/71/473568671.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 1 346.500 2.514 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000186192776 473612395 /nfs/dbraw/zinc/61/23/95/473612395.db2.gz KJHKJMPFNKDECV-OALUTQOASA-N 2 1 340.515 2.857 20 30 EFEDMP N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc3nccn32)CC1 ZINC000179752795 473718479 /nfs/dbraw/zinc/71/84/79/473718479.db2.gz YSESPJQZYKMIMB-UHFFFAOYSA-N 2 1 331.423 2.918 20 30 EFEDMP N#Cc1ccccc1N1CCCN(Cc2cccc3nccn32)CC1 ZINC000179752795 473718483 /nfs/dbraw/zinc/71/84/83/473718483.db2.gz YSESPJQZYKMIMB-UHFFFAOYSA-N 2 1 331.423 2.918 20 30 EFEDMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938778 473758476 /nfs/dbraw/zinc/75/84/76/473758476.db2.gz BOMSHMMBNCKUKY-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938778 473758484 /nfs/dbraw/zinc/75/84/84/473758484.db2.gz BOMSHMMBNCKUKY-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938778 473758491 /nfs/dbraw/zinc/75/84/91/473758491.db2.gz BOMSHMMBNCKUKY-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938778 473758499 /nfs/dbraw/zinc/75/84/99/473758499.db2.gz BOMSHMMBNCKUKY-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936328 473889676 /nfs/dbraw/zinc/88/96/76/473889676.db2.gz IMYBCXOYHSLMKJ-QFBILLFUSA-N 2 1 338.455 2.596 20 30 EFEDMP C=CCN1CC[C@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938752 473890917 /nfs/dbraw/zinc/89/09/17/473890917.db2.gz IRKGRXFVIPUXFW-FQEVSTJZSA-N 2 1 341.499 2.617 20 30 EFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCCCC1 ZINC000264070153 473947303 /nfs/dbraw/zinc/94/73/03/473947303.db2.gz CYABTJSBISAEQQ-GOSISDBHSA-N 2 1 328.504 2.788 20 30 EFEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264090754 473949060 /nfs/dbraw/zinc/94/90/60/473949060.db2.gz KXWWWQVDVLDFHC-UHFFFAOYSA-N 2 1 327.310 2.517 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000264124343 473951625 /nfs/dbraw/zinc/95/16/25/473951625.db2.gz RZOABVFVYNREHV-UHFFFAOYSA-N 2 1 326.444 2.944 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000264147275 473953799 /nfs/dbraw/zinc/95/37/99/473953799.db2.gz YEVDYHSWMARKDJ-JKSUJKDBSA-N 2 1 332.492 2.500 20 30 EFEDMP C=C1CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264515330 474020626 /nfs/dbraw/zinc/02/06/26/474020626.db2.gz YWBCGZUOOHLCJF-GOSISDBHSA-N 2 1 341.499 2.808 20 30 EFEDMP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000266980019 474555203 /nfs/dbraw/zinc/55/52/03/474555203.db2.gz MAYAFNDLRVRVSD-LLVKDONJSA-N 2 1 328.382 2.592 20 30 EFEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000290384620 474569643 /nfs/dbraw/zinc/56/96/43/474569643.db2.gz OFPIAXIGUAKJCC-QFIPXVFZSA-N 2 1 334.463 2.914 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277389984 474585019 /nfs/dbraw/zinc/58/50/19/474585019.db2.gz YUNPSTFEHDMJNY-KRWDZBQOSA-N 2 1 334.508 2.971 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277389984 474585025 /nfs/dbraw/zinc/58/50/25/474585025.db2.gz YUNPSTFEHDMJNY-KRWDZBQOSA-N 2 1 334.508 2.971 20 30 EFEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398517 474602754 /nfs/dbraw/zinc/60/27/54/474602754.db2.gz DOONKPNLDGEGEP-SFHVURJKSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C(C)C ZINC000272859336 474627391 /nfs/dbraw/zinc/62/73/91/474627391.db2.gz VEBOUQHYSCMCTE-IEBWSBKVSA-N 2 1 348.535 2.635 20 30 EFEDMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000278886372 474894560 /nfs/dbraw/zinc/89/45/60/474894560.db2.gz YGTWUSMGRTWWPQ-HXUWFJFHSA-N 2 1 328.504 2.873 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000337460266 475038909 /nfs/dbraw/zinc/03/89/09/475038909.db2.gz ZMMBBRTUSRWPLX-CEXWTWQISA-N 2 1 348.535 2.611 20 30 EFEDMP C[N@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000286308070 475060272 /nfs/dbraw/zinc/06/02/72/475060272.db2.gz XAQAVVHSTNGUAR-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP C[N@@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000286308070 475060279 /nfs/dbraw/zinc/06/02/79/475060279.db2.gz XAQAVVHSTNGUAR-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP CC[NH+](CC)CCOCC[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000294628940 475077024 /nfs/dbraw/zinc/07/70/24/475077024.db2.gz PETXJUFSBFSXFF-UHFFFAOYSA-N 2 1 347.503 2.777 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000329589911 475092024 /nfs/dbraw/zinc/09/20/24/475092024.db2.gz YHIXNTYIAYJBSV-SZVBFZGTSA-N 2 1 345.487 2.624 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000329589911 475092028 /nfs/dbraw/zinc/09/20/28/475092028.db2.gz YHIXNTYIAYJBSV-SZVBFZGTSA-N 2 1 345.487 2.624 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944078 475093045 /nfs/dbraw/zinc/09/30/45/475093045.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294944078 475093052 /nfs/dbraw/zinc/09/30/52/475093052.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944078 475093060 /nfs/dbraw/zinc/09/30/60/475093060.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944078 475093076 /nfs/dbraw/zinc/09/30/76/475093076.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 2 1 325.500 2.727 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000294937859 475093302 /nfs/dbraw/zinc/09/33/02/475093302.db2.gz HUDJDLOKZUXYQT-ZDUSSCGKSA-N 2 1 326.387 2.902 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000294937859 475093309 /nfs/dbraw/zinc/09/33/09/475093309.db2.gz HUDJDLOKZUXYQT-ZDUSSCGKSA-N 2 1 326.387 2.902 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944083 475093394 /nfs/dbraw/zinc/09/33/94/475093394.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294944083 475093401 /nfs/dbraw/zinc/09/34/01/475093401.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944083 475093408 /nfs/dbraw/zinc/09/34/08/475093408.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 1 325.500 2.727 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944083 475093418 /nfs/dbraw/zinc/09/34/18/475093418.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 2 1 325.500 2.727 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000281326634 475172165 /nfs/dbraw/zinc/17/21/65/475172165.db2.gz VLXKWRYSUAWSHC-FXAWDEMLSA-N 2 1 341.499 2.938 20 30 EFEDMP C[N@H+](CCN1CC[NH+](CCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000345702191 475379544 /nfs/dbraw/zinc/37/95/44/475379544.db2.gz AASKJPXBYBCYJM-UHFFFAOYSA-N 2 1 328.504 2.676 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](CCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000345702191 475379549 /nfs/dbraw/zinc/37/95/49/475379549.db2.gz AASKJPXBYBCYJM-UHFFFAOYSA-N 2 1 328.504 2.676 20 30 EFEDMP C=CCOCCC[N@H+](C)C[C@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 ZINC000348115328 475401570 /nfs/dbraw/zinc/40/15/70/475401570.db2.gz XZSOKQXCFOVATD-MJGOQNOKSA-N 2 1 334.508 2.718 20 30 EFEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348281647 475558321 /nfs/dbraw/zinc/55/83/21/475558321.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 1 340.471 2.549 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000346546335 475647127 /nfs/dbraw/zinc/64/71/27/475647127.db2.gz GXUPXJZKPNQZHD-XLIONFOSSA-N 2 1 329.488 2.979 20 30 EFEDMP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000353306530 475856901 /nfs/dbraw/zinc/85/69/01/475856901.db2.gz HKFWRFDODJRNIF-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000353306530 475856911 /nfs/dbraw/zinc/85/69/11/475856911.db2.gz HKFWRFDODJRNIF-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358794398 475944183 /nfs/dbraw/zinc/94/41/83/475944183.db2.gz HGQPAHHCXWLHTC-KRWDZBQOSA-N 2 1 336.524 2.591 20 30 EFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000355464151 475959399 /nfs/dbraw/zinc/95/93/99/475959399.db2.gz UMJJBHUZHZLSDY-UHFFFAOYSA-N 2 1 328.460 2.691 20 30 EFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343721683 476105403 /nfs/dbraw/zinc/10/54/03/476105403.db2.gz CTTQJVFACLHYNN-IRXDYDNUSA-N 2 1 326.488 2.720 20 30 EFEDMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000350626602 476271948 /nfs/dbraw/zinc/27/19/48/476271948.db2.gz NZYLCMMNHQUTIY-UHFFFAOYSA-N 2 1 337.471 2.923 20 30 EFEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360838621 476420296 /nfs/dbraw/zinc/42/02/96/476420296.db2.gz UZDUFMVNMKVHPY-FQEVSTJZSA-N 2 1 327.472 2.762 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516177 /nfs/dbraw/zinc/51/61/77/476516177.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516186 /nfs/dbraw/zinc/51/61/86/476516186.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516190 /nfs/dbraw/zinc/51/61/90/476516190.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 2 1 328.460 2.691 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354285693 476561546 /nfs/dbraw/zinc/56/15/46/476561546.db2.gz WPTIAZXEWRWLDO-IBGZPJMESA-N 2 1 329.488 2.664 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000370207064 476698894 /nfs/dbraw/zinc/69/88/94/476698894.db2.gz GXGXKJDDAHMMOY-FQEVSTJZSA-N 2 1 345.918 2.792 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000370207064 476698901 /nfs/dbraw/zinc/69/89/01/476698901.db2.gz GXGXKJDDAHMMOY-FQEVSTJZSA-N 2 1 345.918 2.792 20 30 EFEDMP CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422979199 476875779 /nfs/dbraw/zinc/87/57/79/476875779.db2.gz LVZFETJEQXFNKE-NJAFHUGGSA-N 2 1 330.451 2.786 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370708525 476945521 /nfs/dbraw/zinc/94/55/21/476945521.db2.gz QBGPLKUDJBJPFD-NQIIRXRSSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370708525 476945527 /nfs/dbraw/zinc/94/55/27/476945527.db2.gz QBGPLKUDJBJPFD-NQIIRXRSSA-N 2 1 343.515 2.709 20 30 EFEDMP C[N@@H+](CCC(=O)Nc1sccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767536 476995938 /nfs/dbraw/zinc/99/59/38/476995938.db2.gz FZLXJBBDKDKQFR-YIONKMFJSA-N 2 1 332.473 2.505 20 30 EFEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423389064 477013974 /nfs/dbraw/zinc/01/39/74/477013974.db2.gz NHKISXCEENNJFR-LJQANCHMSA-N 2 1 326.488 2.895 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411163138 477135519 /nfs/dbraw/zinc/13/55/19/477135519.db2.gz IMQSENDLWDHMNR-SFHVURJKSA-N 2 1 341.499 2.830 20 30 EFEDMP C=C[C@@H](CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156260 477156833 /nfs/dbraw/zinc/15/68/33/477156833.db2.gz QPXXYOZPJOZYOG-HKUYNNGSSA-N 2 1 341.499 2.631 20 30 EFEDMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150412 477310511 /nfs/dbraw/zinc/31/05/11/477310511.db2.gz YNOSXVSNKNYOPS-QRQLOZEOSA-N 2 1 342.487 2.519 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424285595 477355305 /nfs/dbraw/zinc/35/53/05/477355305.db2.gz FZWMLMSBLDYOKO-INIZCTEOSA-N 2 1 329.488 2.938 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090631 477669041 /nfs/dbraw/zinc/66/90/41/477669041.db2.gz WYGUQCQYCZUMHK-YFFANZOGSA-N 2 1 342.487 2.962 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102683 477670523 /nfs/dbraw/zinc/67/05/23/477670523.db2.gz YYMIQGSWQFVMOB-LTDKPHRXSA-N 2 1 328.460 2.573 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102683 477670530 /nfs/dbraw/zinc/67/05/30/477670530.db2.gz YYMIQGSWQFVMOB-LTDKPHRXSA-N 2 1 328.460 2.573 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420328885 477699188 /nfs/dbraw/zinc/69/91/88/477699188.db2.gz NHIRRSAGIUTXMK-QZTJIDSGSA-N 2 1 329.488 2.795 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398907 477749560 /nfs/dbraw/zinc/74/95/60/477749560.db2.gz HEFQGXLQMBCXDG-PMPSAXMXSA-N 2 1 335.517 2.568 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398907 477749566 /nfs/dbraw/zinc/74/95/66/477749566.db2.gz HEFQGXLQMBCXDG-PMPSAXMXSA-N 2 1 335.517 2.568 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000420981209 477875615 /nfs/dbraw/zinc/87/56/15/477875615.db2.gz MTPGUUZUBQIWGR-UHFFFAOYSA-N 2 1 340.515 2.745 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429261039 478092879 /nfs/dbraw/zinc/09/28/79/478092879.db2.gz OOIIGKAQLOJYNG-APWZRJJASA-N 2 1 347.507 2.600 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429261039 478092886 /nfs/dbraw/zinc/09/28/86/478092886.db2.gz OOIIGKAQLOJYNG-APWZRJJASA-N 2 1 347.507 2.600 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000560693620 478124760 /nfs/dbraw/zinc/12/47/60/478124760.db2.gz DRADEJFBEVZJRN-LJQANCHMSA-N 2 1 332.536 2.951 20 30 EFEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536663816 478267744 /nfs/dbraw/zinc/26/77/44/478267744.db2.gz WVELAOQSTPHJQV-HXUWFJFHSA-N 2 1 343.515 2.852 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000579703161 478346364 /nfs/dbraw/zinc/34/63/64/478346364.db2.gz CHDNKQXRSAOITK-CTNGQTDRSA-N 2 1 344.499 2.682 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(CC)c2)CC1 ZINC000580769117 478368056 /nfs/dbraw/zinc/36/80/56/478368056.db2.gz GZXDQLQGNMJWIJ-IBGZPJMESA-N 2 1 332.488 2.619 20 30 EFEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000594438823 478387199 /nfs/dbraw/zinc/38/71/99/478387199.db2.gz PXTLXWVEAGLPLP-INIZCTEOSA-N 2 1 346.500 2.585 20 30 EFEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000491475429 478558590 /nfs/dbraw/zinc/55/85/90/478558590.db2.gz WSFRUIJRCIQYIK-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000572869877 478940259 /nfs/dbraw/zinc/94/02/59/478940259.db2.gz VFQWGKJBURXABO-FQEVSTJZSA-N 2 1 344.499 2.785 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967076 479099452 /nfs/dbraw/zinc/09/94/52/479099452.db2.gz HRUKNLIEXHEVQL-BHIYHBOVSA-N 2 1 329.488 2.645 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000584585825 479186975 /nfs/dbraw/zinc/18/69/75/479186975.db2.gz ZAUBKWKVVDPGER-LJQANCHMSA-N 2 1 332.488 2.673 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110704 479254426 /nfs/dbraw/zinc/25/44/26/479254426.db2.gz PFVDTQGSWHBPMR-PKOBYXMFSA-N 2 1 336.524 2.627 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000611337582 479350884 /nfs/dbraw/zinc/35/08/84/479350884.db2.gz OUAAEMDLVOBQGH-FQXVJMBOSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000611337582 479350889 /nfs/dbraw/zinc/35/08/89/479350889.db2.gz OUAAEMDLVOBQGH-FQXVJMBOSA-N 2 1 328.460 2.716 20 30 EFEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000611392872 479366636 /nfs/dbraw/zinc/36/66/36/479366636.db2.gz RJAVYUVVVMRPBE-QUCCMNQESA-N 2 1 327.472 2.762 20 30 EFEDMP C[C@H](CCC#N)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602660520 479455120 /nfs/dbraw/zinc/45/51/20/479455120.db2.gz DWMXHGLWDAWLDP-LJQANCHMSA-N 2 1 328.504 2.676 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000618561370 479493341 /nfs/dbraw/zinc/49/33/41/479493341.db2.gz BDOGWPDGCQXOCU-BRWVUGGUSA-N 2 1 332.517 2.709 20 30 EFEDMP N#Cc1cccc(OCCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846496 479590121 /nfs/dbraw/zinc/59/01/21/479590121.db2.gz QPGXAXYYAFCIPX-UHFFFAOYSA-N 2 1 336.439 2.934 20 30 EFEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614167233 480211872 /nfs/dbraw/zinc/21/18/72/480211872.db2.gz BGQVHBGBBKMYPG-FQEVSTJZSA-N 2 1 340.515 2.700 20 30 EFEDMP CC(C)O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649703246 482201263 /nfs/dbraw/zinc/20/12/63/482201263.db2.gz YATLFPLSORPCPA-WOJBJXKFSA-N 2 1 336.520 2.769 20 30 EFEDMP C=C(CC)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000358497827 534379960 /nfs/dbraw/zinc/37/99/60/534379960.db2.gz LEASTWOXZRIAGA-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181663019 522059572 /nfs/dbraw/zinc/05/95/72/522059572.db2.gz LCIDSZCHGQIQBD-QGZVFWFLSA-N 2 1 328.504 2.843 20 30 EFEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492147 524277441 /nfs/dbraw/zinc/27/74/41/524277441.db2.gz TWNJSSCOMYJAQT-HNNXBMFYSA-N 2 1 328.460 2.549 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156667 526626172 /nfs/dbraw/zinc/62/61/72/526626172.db2.gz PGCBWXPQKCQDEN-MRXNPFEDSA-N 2 1 341.455 2.692 20 30 EFEDMP CC[NH+](CC)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181386745 528112644 /nfs/dbraw/zinc/11/26/44/528112644.db2.gz QSBGRXJEJINKFN-UHFFFAOYSA-N 2 1 328.504 2.844 20 30 EFEDMP CC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181734896 529001777 /nfs/dbraw/zinc/00/17/77/529001777.db2.gz RQSYAITZWBLYLZ-OAQYLSRUSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181734896 529001784 /nfs/dbraw/zinc/00/17/84/529001784.db2.gz RQSYAITZWBLYLZ-OAQYLSRUSA-N 2 1 340.515 2.987 20 30 EFEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562960 535168803 /nfs/dbraw/zinc/16/88/03/535168803.db2.gz XANSZSJKDGTFFJ-WBVHZDCISA-N 2 1 330.476 2.535 20 30 EFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000365695644 535613140 /nfs/dbraw/zinc/61/31/40/535613140.db2.gz KGCYIQGERPWVMA-UHFFFAOYSA-N 2 1 348.535 2.583 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000763762264 576396651 /nfs/dbraw/zinc/39/66/51/576396651.db2.gz MWFRLPLUGOMOGZ-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763762264 576396653 /nfs/dbraw/zinc/39/66/53/576396653.db2.gz MWFRLPLUGOMOGZ-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000763762264 576396654 /nfs/dbraw/zinc/39/66/54/576396654.db2.gz MWFRLPLUGOMOGZ-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000763762264 576396656 /nfs/dbraw/zinc/39/66/56/576396656.db2.gz MWFRLPLUGOMOGZ-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500537 577279065 /nfs/dbraw/zinc/27/90/65/577279065.db2.gz PPQWZKJGCSAPIB-QUCCMNQESA-N 2 1 335.455 2.795 20 30 EFEDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500537 577279066 /nfs/dbraw/zinc/27/90/66/577279066.db2.gz PPQWZKJGCSAPIB-QUCCMNQESA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500537 577279067 /nfs/dbraw/zinc/27/90/67/577279067.db2.gz PPQWZKJGCSAPIB-QUCCMNQESA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500537 577279068 /nfs/dbraw/zinc/27/90/68/577279068.db2.gz PPQWZKJGCSAPIB-QUCCMNQESA-N 2 1 335.455 2.795 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493460 1252059841 /nfs/dbraw/zinc/05/98/41/1252059841.db2.gz XCJFWZINJAKDAP-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493460 1252059853 /nfs/dbraw/zinc/05/98/53/1252059853.db2.gz XCJFWZINJAKDAP-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493460 1252059864 /nfs/dbraw/zinc/05/98/64/1252059864.db2.gz XCJFWZINJAKDAP-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684484 1252167804 /nfs/dbraw/zinc/16/78/04/1252167804.db2.gz QCGCFVCERVSLIC-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684484 1252167808 /nfs/dbraw/zinc/16/78/08/1252167808.db2.gz QCGCFVCERVSLIC-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684484 1252167813 /nfs/dbraw/zinc/16/78/13/1252167813.db2.gz QCGCFVCERVSLIC-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687025 1252178639 /nfs/dbraw/zinc/17/86/39/1252178639.db2.gz CMBJJCFSHFYTDN-KRWDZBQOSA-N 2 1 345.487 2.585 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687025 1252178653 /nfs/dbraw/zinc/17/86/53/1252178653.db2.gz CMBJJCFSHFYTDN-KRWDZBQOSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001089687431 1252183793 /nfs/dbraw/zinc/18/37/93/1252183793.db2.gz JSIWVJZCOYDWDU-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001089687431 1252183806 /nfs/dbraw/zinc/18/38/06/1252183806.db2.gz JSIWVJZCOYDWDU-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690774 1252225495 /nfs/dbraw/zinc/22/54/95/1252225495.db2.gz FCWKCQRBBADVFO-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690774 1252225507 /nfs/dbraw/zinc/22/55/07/1252225507.db2.gz FCWKCQRBBADVFO-IRXDYDNUSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725747 1252327762 /nfs/dbraw/zinc/32/77/62/1252327762.db2.gz LEUIQTSGALTQSM-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725747 1252327766 /nfs/dbraw/zinc/32/77/66/1252327766.db2.gz LEUIQTSGALTQSM-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735339 1252339265 /nfs/dbraw/zinc/33/92/65/1252339265.db2.gz IGTBGJMRRYSLEF-IBGZPJMESA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001484745767 1252859064 /nfs/dbraw/zinc/85/90/64/1252859064.db2.gz RVOUCGUKRKBLIQ-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001484745767 1252859079 /nfs/dbraw/zinc/85/90/79/1252859079.db2.gz RVOUCGUKRKBLIQ-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001484745767 1252859087 /nfs/dbraw/zinc/85/90/87/1252859087.db2.gz RVOUCGUKRKBLIQ-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001484745767 1252859097 /nfs/dbraw/zinc/85/90/97/1252859097.db2.gz RVOUCGUKRKBLIQ-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332490 1253180107 /nfs/dbraw/zinc/18/01/07/1253180107.db2.gz COXITTHGNARKTM-FUHWJXTLSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332491 1253180642 /nfs/dbraw/zinc/18/06/42/1253180642.db2.gz COXITTHGNARKTM-SJLPKXTDSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945333735 1253183148 /nfs/dbraw/zinc/18/31/48/1253183148.db2.gz KIFFWXULDXNFKB-NVXWUHKLSA-N 2 1 333.476 2.748 20 30 EFEDMP C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131359 1253507838 /nfs/dbraw/zinc/50/78/38/1253507838.db2.gz PDUCPUHPEWXYMF-AWEZNQCLSA-N 2 1 344.434 2.782 20 30 EFEDMP C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131359 1253507844 /nfs/dbraw/zinc/50/78/44/1253507844.db2.gz PDUCPUHPEWXYMF-AWEZNQCLSA-N 2 1 344.434 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583493 1254468665 /nfs/dbraw/zinc/46/86/65/1254468665.db2.gz SITRJKCIHLCDKI-INIZCTEOSA-N 2 1 339.911 2.680 20 30 EFEDMP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098819551 1255735687 /nfs/dbraw/zinc/73/56/87/1255735687.db2.gz ALDOVSNXNKORLD-QUCCMNQESA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098820240 1255817607 /nfs/dbraw/zinc/81/76/07/1255817607.db2.gz HBPKKRDGEUCTJG-UYAOXDASSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439304 1255823877 /nfs/dbraw/zinc/82/38/77/1255823877.db2.gz VGVCXSWOYGGREP-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550217 1256100766 /nfs/dbraw/zinc/10/07/66/1256100766.db2.gz PXZYUGGMVRBNRE-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550217 1256100772 /nfs/dbraw/zinc/10/07/72/1256100772.db2.gz PXZYUGGMVRBNRE-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550217 1256100777 /nfs/dbraw/zinc/10/07/77/1256100777.db2.gz PXZYUGGMVRBNRE-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568243 1256156601 /nfs/dbraw/zinc/15/66/01/1256156601.db2.gz XMNCKHZWCLGMBA-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579738 1256191226 /nfs/dbraw/zinc/19/12/26/1256191226.db2.gz MNKDGANGTUWTNN-WSTZPKSXSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587404 1256221348 /nfs/dbraw/zinc/22/13/48/1256221348.db2.gz NQXPSBQFPLITEV-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635602 1256333284 /nfs/dbraw/zinc/33/32/84/1256333284.db2.gz SZRRQKVJYVUCRP-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652148 1256367139 /nfs/dbraw/zinc/36/71/39/1256367139.db2.gz DRRCZFDIEIRCKV-TZIWHRDSSA-N 2 1 345.531 2.637 20 30 EFEDMP C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997127003 1257015759 /nfs/dbraw/zinc/01/57/59/1257015759.db2.gz IGRFQHVKIVITLE-NVXWUHKLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997127003 1257015769 /nfs/dbraw/zinc/01/57/69/1257015769.db2.gz IGRFQHVKIVITLE-NVXWUHKLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997127003 1257015777 /nfs/dbraw/zinc/01/57/77/1257015777.db2.gz IGRFQHVKIVITLE-NVXWUHKLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132864 1257033902 /nfs/dbraw/zinc/03/39/02/1257033902.db2.gz QFBPJAGCOHTTOV-MJGOQNOKSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997138954 1257048875 /nfs/dbraw/zinc/04/88/75/1257048875.db2.gz PLPUOKOJQBNOTM-VQIMIIECSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997281194 1257343913 /nfs/dbraw/zinc/34/39/13/1257343913.db2.gz ZRHRRGSQBIENGJ-MJGOQNOKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910033 1257558211 /nfs/dbraw/zinc/55/82/11/1257558211.db2.gz ODRJXMCPLZIWRU-NMLBUPMWSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910822 1257635051 /nfs/dbraw/zinc/63/50/51/1257635051.db2.gz VSMUDKOURSVONL-HAGHYFMRSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588101 1258069103 /nfs/dbraw/zinc/06/91/03/1258069103.db2.gz WBHDGYKZJLWBKH-DOTOQJQBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588101 1258069112 /nfs/dbraw/zinc/06/91/12/1258069112.db2.gz WBHDGYKZJLWBKH-DOTOQJQBSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997612716 1258111341 /nfs/dbraw/zinc/11/13/41/1258111341.db2.gz IGRFQHVKIVITLE-RDJZCZTQSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997612716 1258111345 /nfs/dbraw/zinc/11/13/45/1258111345.db2.gz IGRFQHVKIVITLE-RDJZCZTQSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653198 1258176018 /nfs/dbraw/zinc/17/60/18/1258176018.db2.gz IKGIELOJGNVCNG-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH]cnc32)CC1 ZINC000997748050 1258349567 /nfs/dbraw/zinc/34/95/67/1258349567.db2.gz MDVSTSSSLPYHCY-GOEBONIOSA-N 2 1 330.476 2.622 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941088 1258769522 /nfs/dbraw/zinc/76/95/22/1258769522.db2.gz XHYFOJIRGSMWPJ-CVEARBPZSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941088 1258769527 /nfs/dbraw/zinc/76/95/27/1258769527.db2.gz XHYFOJIRGSMWPJ-CVEARBPZSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997947166 1258819765 /nfs/dbraw/zinc/81/97/65/1258819765.db2.gz AIGNIMDCHZTZER-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997947166 1258819773 /nfs/dbraw/zinc/81/97/73/1258819773.db2.gz AIGNIMDCHZTZER-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997947166 1258819783 /nfs/dbraw/zinc/81/97/83/1258819783.db2.gz AIGNIMDCHZTZER-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998006318 1258936070 /nfs/dbraw/zinc/93/60/70/1258936070.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998006318 1258936074 /nfs/dbraw/zinc/93/60/74/1258936074.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998006318 1258936078 /nfs/dbraw/zinc/93/60/78/1258936078.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006221 1258936419 /nfs/dbraw/zinc/93/64/19/1258936419.db2.gz JHNIEBVEHWMENG-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006667 1258937249 /nfs/dbraw/zinc/93/72/49/1258937249.db2.gz LTTYMORXGRNPGH-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018287 1258967539 /nfs/dbraw/zinc/96/75/39/1258967539.db2.gz OKKWQAHNXOWMBO-GUDVDZBRSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998018287 1258967544 /nfs/dbraw/zinc/96/75/44/1258967544.db2.gz OKKWQAHNXOWMBO-GUDVDZBRSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998018287 1258967551 /nfs/dbraw/zinc/96/75/51/1258967551.db2.gz OKKWQAHNXOWMBO-GUDVDZBRSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020290 1258971128 /nfs/dbraw/zinc/97/11/28/1258971128.db2.gz CDWQENZQGHARQI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020290 1258971130 /nfs/dbraw/zinc/97/11/30/1258971130.db2.gz CDWQENZQGHARQI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020290 1258971138 /nfs/dbraw/zinc/97/11/38/1258971138.db2.gz CDWQENZQGHARQI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031375 1258987545 /nfs/dbraw/zinc/98/75/45/1258987545.db2.gz PJAWDEHKWUGHIX-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031375 1258987552 /nfs/dbraw/zinc/98/75/52/1258987552.db2.gz PJAWDEHKWUGHIX-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047569 1259022741 /nfs/dbraw/zinc/02/27/41/1259022741.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 1 344.503 2.712 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998062110 1259059259 /nfs/dbraw/zinc/05/92/59/1259059259.db2.gz CMLKMYLUCISXFK-SFHVURJKSA-N 2 1 338.455 2.674 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110983 1259121674 /nfs/dbraw/zinc/12/16/74/1259121674.db2.gz PIEDUXZSEMYNRO-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171048 1259183756 /nfs/dbraw/zinc/18/37/56/1259183756.db2.gz JVJXFZKAPLTBON-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998901548 1260072443 /nfs/dbraw/zinc/07/24/43/1260072443.db2.gz MXGKBFUCNUFUOI-HWOWSKLDSA-N 2 1 327.900 2.581 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000998929762 1260092210 /nfs/dbraw/zinc/09/22/10/1260092210.db2.gz ZNKBXUCGLLPDGH-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000998929762 1260092218 /nfs/dbraw/zinc/09/22/18/1260092218.db2.gz ZNKBXUCGLLPDGH-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144919 1260363560 /nfs/dbraw/zinc/36/35/60/1260363560.db2.gz UJSISHUSCBNZCA-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540072 1260404517 /nfs/dbraw/zinc/40/45/17/1260404517.db2.gz DQFNSABSBWBGGA-NSHGMRRFSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684895 1260426251 /nfs/dbraw/zinc/42/62/51/1260426251.db2.gz YDBNNHLBNCAYTO-OALUTQOASA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999355822 1260538558 /nfs/dbraw/zinc/53/85/58/1260538558.db2.gz XRTNHERYXRSNFU-JKSUJKDBSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999355759 1260538613 /nfs/dbraw/zinc/53/86/13/1260538613.db2.gz XDMMRWGPVPYRKK-NVXWUHKLSA-N 2 1 339.911 2.727 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000999391381 1260589041 /nfs/dbraw/zinc/58/90/41/1260589041.db2.gz LAUXHMRMAGOFDB-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000999391381 1260589044 /nfs/dbraw/zinc/58/90/44/1260589044.db2.gz LAUXHMRMAGOFDB-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000999391380 1260589180 /nfs/dbraw/zinc/58/91/80/1260589180.db2.gz LAUXHMRMAGOFDB-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000999391380 1260589184 /nfs/dbraw/zinc/58/91/84/1260589184.db2.gz LAUXHMRMAGOFDB-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888308 1261236489 /nfs/dbraw/zinc/23/64/89/1261236489.db2.gz VECQHTMXDWKEJZ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902617 1261672280 /nfs/dbraw/zinc/67/22/80/1261672280.db2.gz RKTHJPTZGAPIGF-LWYYNNOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905029 1261726113 /nfs/dbraw/zinc/72/61/13/1261726113.db2.gz ZFISIPZXBIQQBQ-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513487 1263210153 /nfs/dbraw/zinc/21/01/53/1263210153.db2.gz PTEVWBOIESLYGP-ZIFCJYIRSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406813 1263915731 /nfs/dbraw/zinc/91/57/31/1263915731.db2.gz ZNDJHLOYGLYSNS-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406813 1263915742 /nfs/dbraw/zinc/91/57/42/1263915742.db2.gz ZNDJHLOYGLYSNS-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406813 1263915748 /nfs/dbraw/zinc/91/57/48/1263915748.db2.gz ZNDJHLOYGLYSNS-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701887 1264246224 /nfs/dbraw/zinc/24/62/24/1264246224.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701887 1264246229 /nfs/dbraw/zinc/24/62/29/1264246229.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701887 1264246235 /nfs/dbraw/zinc/24/62/35/1264246235.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767945 1264347744 /nfs/dbraw/zinc/34/77/44/1264347744.db2.gz PMMICBCPIIJHRA-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767945 1264347748 /nfs/dbraw/zinc/34/77/48/1264347748.db2.gz PMMICBCPIIJHRA-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767945 1264347750 /nfs/dbraw/zinc/34/77/50/1264347750.db2.gz PMMICBCPIIJHRA-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768909 1264368118 /nfs/dbraw/zinc/36/81/18/1264368118.db2.gz JCXWITDZZRHLPQ-YFVAEKQCSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768909 1264368125 /nfs/dbraw/zinc/36/81/25/1264368125.db2.gz JCXWITDZZRHLPQ-YFVAEKQCSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768909 1264368135 /nfs/dbraw/zinc/36/81/35/1264368135.db2.gz JCXWITDZZRHLPQ-YFVAEKQCSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852379 1264532535 /nfs/dbraw/zinc/53/25/35/1264532535.db2.gz WMIFYQZEZBGZLS-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849909 1264536624 /nfs/dbraw/zinc/53/66/24/1264536624.db2.gz ZIFXBXDCAAGFHU-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853429 1264540637 /nfs/dbraw/zinc/54/06/37/1264540637.db2.gz PHNLAEFUPWKKQY-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765091 /nfs/dbraw/zinc/76/50/91/1264765091.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765102 /nfs/dbraw/zinc/76/51/02/1264765102.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765109 /nfs/dbraw/zinc/76/51/09/1264765109.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997985 1264875708 /nfs/dbraw/zinc/87/57/08/1264875708.db2.gz LOAAAYYQCCIPRY-YZGWKJHDSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014131 1264925614 /nfs/dbraw/zinc/92/56/14/1264925614.db2.gz FSEHVCOPHPHEOK-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014131 1264925620 /nfs/dbraw/zinc/92/56/20/1264925620.db2.gz FSEHVCOPHPHEOK-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014131 1264925624 /nfs/dbraw/zinc/92/56/24/1264925624.db2.gz FSEHVCOPHPHEOK-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072588 1265076880 /nfs/dbraw/zinc/07/68/80/1265076880.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072588 1265076891 /nfs/dbraw/zinc/07/68/91/1265076891.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072588 1265076899 /nfs/dbraw/zinc/07/68/99/1265076899.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072514 1265077621 /nfs/dbraw/zinc/07/76/21/1265077621.db2.gz DNAXDLRKTVQXHU-LMNJBCLMSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072514 1265077632 /nfs/dbraw/zinc/07/76/32/1265077632.db2.gz DNAXDLRKTVQXHU-LMNJBCLMSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737152 1265114417 /nfs/dbraw/zinc/11/44/17/1265114417.db2.gz HYPQSFKGDFXCHI-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737152 1265114422 /nfs/dbraw/zinc/11/44/22/1265114422.db2.gz HYPQSFKGDFXCHI-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101340 1265145325 /nfs/dbraw/zinc/14/53/25/1265145325.db2.gz FZOFMICBRAJJGN-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733329455 1265172423 /nfs/dbraw/zinc/17/24/23/1265172423.db2.gz SZDYQFDSVVVNFE-JXFKEZNVSA-N 2 1 343.471 2.710 20 30 EFEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273038512 1266517023 /nfs/dbraw/zinc/51/70/23/1266517023.db2.gz DLYFFEOIXXGYOY-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591117 1266531240 /nfs/dbraw/zinc/53/12/40/1266531240.db2.gz OHAMGGQQSBVBPV-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591117 1266531244 /nfs/dbraw/zinc/53/12/44/1266531244.db2.gz OHAMGGQQSBVBPV-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591117 1266531247 /nfs/dbraw/zinc/53/12/47/1266531247.db2.gz OHAMGGQQSBVBPV-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592708 1266587193 /nfs/dbraw/zinc/58/71/93/1266587193.db2.gz VHEUZQNMSRKYSK-KDURUIRLSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)cnc4c3)CC[C@@H]2C1 ZINC000946592288 1266602002 /nfs/dbraw/zinc/60/20/02/1266602002.db2.gz GLTUHAYWNBWAMV-HDICACEKSA-N 2 1 338.455 2.613 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592331 1266602393 /nfs/dbraw/zinc/60/23/93/1266602393.db2.gz HZAKQZSLKQFKIU-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592331 1266602400 /nfs/dbraw/zinc/60/24/00/1266602400.db2.gz HZAKQZSLKQFKIU-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592331 1266602407 /nfs/dbraw/zinc/60/24/07/1266602407.db2.gz HZAKQZSLKQFKIU-IYWMVGAKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004377023 1266823996 /nfs/dbraw/zinc/82/39/96/1266823996.db2.gz XTOXGOSLLGVJTL-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004377023 1266824005 /nfs/dbraw/zinc/82/40/05/1266824005.db2.gz XTOXGOSLLGVJTL-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085230398 1266892364 /nfs/dbraw/zinc/89/23/64/1266892364.db2.gz UNWMTEVUOISKFO-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085230398 1266892381 /nfs/dbraw/zinc/89/23/81/1266892381.db2.gz UNWMTEVUOISKFO-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001004423961 1266966927 /nfs/dbraw/zinc/96/69/27/1266966927.db2.gz DSNRUTKTDABYNC-KRWDZBQOSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437026 1266980275 /nfs/dbraw/zinc/98/02/75/1266980275.db2.gz IPJYZZTWPLWNGS-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437024 1266980854 /nfs/dbraw/zinc/98/08/54/1266980854.db2.gz IPJYZZTWPLWNGS-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429752 1266988500 /nfs/dbraw/zinc/98/85/00/1266988500.db2.gz OOEYOEAYIMZGNS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004429752 1266988506 /nfs/dbraw/zinc/98/85/06/1266988506.db2.gz OOEYOEAYIMZGNS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004429752 1266988510 /nfs/dbraw/zinc/98/85/10/1266988510.db2.gz OOEYOEAYIMZGNS-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004431421 1266992383 /nfs/dbraw/zinc/99/23/83/1266992383.db2.gz XLWSASOHSOANFS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431421 1266992390 /nfs/dbraw/zinc/99/23/90/1266992390.db2.gz XLWSASOHSOANFS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431421 1266992396 /nfs/dbraw/zinc/99/23/96/1266992396.db2.gz XLWSASOHSOANFS-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437071 1266994380 /nfs/dbraw/zinc/99/43/80/1266994380.db2.gz JCLGANLONUCIRC-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004453917 1267051168 /nfs/dbraw/zinc/05/11/68/1267051168.db2.gz XUAUZVHXXCDVLI-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004453917 1267051180 /nfs/dbraw/zinc/05/11/80/1267051180.db2.gz XUAUZVHXXCDVLI-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004453917 1267051188 /nfs/dbraw/zinc/05/11/88/1267051188.db2.gz XUAUZVHXXCDVLI-XUVXKRRUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472170 1267118392 /nfs/dbraw/zinc/11/83/92/1267118392.db2.gz DMLXAMSQOMPBPM-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472170 1267118394 /nfs/dbraw/zinc/11/83/94/1267118394.db2.gz DMLXAMSQOMPBPM-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472170 1267118399 /nfs/dbraw/zinc/11/83/99/1267118399.db2.gz DMLXAMSQOMPBPM-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616176 1267128224 /nfs/dbraw/zinc/12/82/24/1267128224.db2.gz XWLDNNOYVYLFFB-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616176 1267128227 /nfs/dbraw/zinc/12/82/27/1267128227.db2.gz XWLDNNOYVYLFFB-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616176 1267128230 /nfs/dbraw/zinc/12/82/30/1267128230.db2.gz XWLDNNOYVYLFFB-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523332 1267215850 /nfs/dbraw/zinc/21/58/50/1267215850.db2.gz OYBOGNCXFMJOAD-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623541 1267217970 /nfs/dbraw/zinc/21/79/70/1267217970.db2.gz LVGUEPLUARFNMD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623541 1267217976 /nfs/dbraw/zinc/21/79/76/1267217976.db2.gz LVGUEPLUARFNMD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623541 1267217989 /nfs/dbraw/zinc/21/79/89/1267217989.db2.gz LVGUEPLUARFNMD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004547020 1267268042 /nfs/dbraw/zinc/26/80/42/1267268042.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004547020 1267268048 /nfs/dbraw/zinc/26/80/48/1267268048.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004547020 1267268056 /nfs/dbraw/zinc/26/80/56/1267268056.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(N2CCCCC2)c1 ZINC001171069865 1278319675 /nfs/dbraw/zinc/31/96/75/1278319675.db2.gz POYJVPOSXWSUNE-KRWDZBQOSA-N 2 1 346.475 2.711 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595158 1267361252 /nfs/dbraw/zinc/36/12/52/1267361252.db2.gz FWLPBFSWDODZIN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595158 1267361263 /nfs/dbraw/zinc/36/12/63/1267361263.db2.gz FWLPBFSWDODZIN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595158 1267361271 /nfs/dbraw/zinc/36/12/71/1267361271.db2.gz FWLPBFSWDODZIN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004609021 1267393870 /nfs/dbraw/zinc/39/38/70/1267393870.db2.gz DDTRJTIDEYTAMG-IBGZPJMESA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617152 1267410318 /nfs/dbraw/zinc/41/03/18/1267410318.db2.gz PBNULOVFSGEWOO-KRWDZBQOSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618965 1267413059 /nfs/dbraw/zinc/41/30/59/1267413059.db2.gz IPXLKODCAWOBKW-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642403 1267448018 /nfs/dbraw/zinc/44/80/18/1267448018.db2.gz IDTHSQATYLMXTQ-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642403 1267448022 /nfs/dbraw/zinc/44/80/22/1267448022.db2.gz IDTHSQATYLMXTQ-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642403 1267448025 /nfs/dbraw/zinc/44/80/25/1267448025.db2.gz IDTHSQATYLMXTQ-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642964 1267450320 /nfs/dbraw/zinc/45/03/20/1267450320.db2.gz XOPFVGLNYUEVSC-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642964 1267450324 /nfs/dbraw/zinc/45/03/24/1267450324.db2.gz XOPFVGLNYUEVSC-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642964 1267450327 /nfs/dbraw/zinc/45/03/27/1267450327.db2.gz XOPFVGLNYUEVSC-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085432778 1267459081 /nfs/dbraw/zinc/45/90/81/1267459081.db2.gz PLRPJUSIXTYXGT-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622785 1268030651 /nfs/dbraw/zinc/03/06/51/1268030651.db2.gz DUBSBKQXUOXVAR-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622785 1268030658 /nfs/dbraw/zinc/03/06/58/1268030658.db2.gz DUBSBKQXUOXVAR-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC[C@@H]2C1 ZINC000946776154 1268475599 /nfs/dbraw/zinc/47/55/99/1268475599.db2.gz FGJOGTYETJNIIS-IXDOHACOSA-N 2 1 342.487 2.576 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505956 /nfs/dbraw/zinc/50/59/56/1268505956.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505965 /nfs/dbraw/zinc/50/59/65/1268505965.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505978 /nfs/dbraw/zinc/50/59/78/1268505978.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803622 1268738617 /nfs/dbraw/zinc/73/86/17/1268738617.db2.gz OFIXZCXMXHIQOD-KURKYZTESA-N 2 1 330.476 2.581 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808668 1268777208 /nfs/dbraw/zinc/77/72/08/1268777208.db2.gz QYTHJZGCYSQPRS-SLFFLAALSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033424488 1269130278 /nfs/dbraw/zinc/13/02/78/1269130278.db2.gz ZWLRWQPHYQXXML-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283718 1269784133 /nfs/dbraw/zinc/78/41/33/1269784133.db2.gz KYUFFGVJOBGEFG-DOTOQJQBSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001137030990 1278532338 /nfs/dbraw/zinc/53/23/38/1278532338.db2.gz WSWSGSUDQHMSBF-UHFFFAOYSA-N 2 1 341.499 2.508 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005391776 1270312679 /nfs/dbraw/zinc/31/26/79/1270312679.db2.gz UPKJFAZRWGSORQ-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033930767 1270595059 /nfs/dbraw/zinc/59/50/59/1270595059.db2.gz AIVUPIIPUNJCAP-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033930767 1270595064 /nfs/dbraw/zinc/59/50/64/1270595064.db2.gz AIVUPIIPUNJCAP-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033930767 1270595070 /nfs/dbraw/zinc/59/50/70/1270595070.db2.gz AIVUPIIPUNJCAP-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000743491343 1270608610 /nfs/dbraw/zinc/60/86/10/1270608610.db2.gz GBNKJLYGLVGOLE-SFHVURJKSA-N 2 1 347.890 2.547 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005474238 1270634963 /nfs/dbraw/zinc/63/49/63/1270634963.db2.gz APLCFNFXIVPZEY-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005474236 1270634934 /nfs/dbraw/zinc/63/49/34/1270634934.db2.gz APLCFNFXIVPZEY-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001005474236 1270634942 /nfs/dbraw/zinc/63/49/42/1270634942.db2.gz APLCFNFXIVPZEY-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001005474238 1270634969 /nfs/dbraw/zinc/63/49/69/1270634969.db2.gz APLCFNFXIVPZEY-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045825 1270956715 /nfs/dbraw/zinc/95/67/15/1270956715.db2.gz NKEFDANPQZWQNL-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502422 1271029099 /nfs/dbraw/zinc/02/90/99/1271029099.db2.gz FFHPNRAYRAHCQZ-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210130 1271363268 /nfs/dbraw/zinc/36/32/68/1271363268.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210130 1271363277 /nfs/dbraw/zinc/36/32/77/1271363277.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210130 1271363288 /nfs/dbraw/zinc/36/32/88/1271363288.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249615 1271423567 /nfs/dbraw/zinc/42/35/67/1271423567.db2.gz LZTBIWQXNIZWEN-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249615 1271423575 /nfs/dbraw/zinc/42/35/75/1271423575.db2.gz LZTBIWQXNIZWEN-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249615 1271423584 /nfs/dbraw/zinc/42/35/84/1271423584.db2.gz LZTBIWQXNIZWEN-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034249603 1271423602 /nfs/dbraw/zinc/42/36/02/1271423602.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034237663 1271435049 /nfs/dbraw/zinc/43/50/49/1271435049.db2.gz AOANGUBDAZSLTD-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237663 1271435052 /nfs/dbraw/zinc/43/50/52/1271435052.db2.gz AOANGUBDAZSLTD-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034237663 1271435055 /nfs/dbraw/zinc/43/50/55/1271435055.db2.gz AOANGUBDAZSLTD-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251214 1271475334 /nfs/dbraw/zinc/47/53/34/1271475334.db2.gz XEVUHLOPROVHLW-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251214 1271475338 /nfs/dbraw/zinc/47/53/38/1271475338.db2.gz XEVUHLOPROVHLW-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251214 1271475342 /nfs/dbraw/zinc/47/53/42/1271475342.db2.gz XEVUHLOPROVHLW-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251214 1271475348 /nfs/dbraw/zinc/47/53/48/1271475348.db2.gz XEVUHLOPROVHLW-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364248 1271779383 /nfs/dbraw/zinc/77/93/83/1271779383.db2.gz KFHUAGBGZZXDIO-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364248 1271779395 /nfs/dbraw/zinc/77/93/95/1271779395.db2.gz KFHUAGBGZZXDIO-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366652 1271786310 /nfs/dbraw/zinc/78/63/10/1271786310.db2.gz BZMZLGQBEOUSCP-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366639 1271787140 /nfs/dbraw/zinc/78/71/40/1271787140.db2.gz BZKVCJGBRKOVEN-AZUAARDMSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542916 1272255479 /nfs/dbraw/zinc/25/54/79/1272255479.db2.gz XTPJWCOOTUFGFS-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108357124 1272300621 /nfs/dbraw/zinc/30/06/21/1272300621.db2.gz YEKCKFAIXVOVLN-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000792266997 1278701897 /nfs/dbraw/zinc/70/18/97/1278701897.db2.gz FDUGXLLIIAYBFT-UHFFFAOYSA-N 2 1 326.525 2.896 20 30 EFEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001034645204 1272434196 /nfs/dbraw/zinc/43/41/96/1272434196.db2.gz RVNXWWDGFGMBSS-KZNAEPCWSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001034645202 1272434277 /nfs/dbraw/zinc/43/42/77/1272434277.db2.gz RVNXWWDGFGMBSS-BZSNNMDCSA-N 2 1 333.520 2.844 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034663898 1272450358 /nfs/dbraw/zinc/45/03/58/1272450358.db2.gz OGUHVXAMSWZVDR-FHWLQOOXSA-N 2 1 345.531 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034663898 1272450365 /nfs/dbraw/zinc/45/03/65/1272450365.db2.gz OGUHVXAMSWZVDR-FHWLQOOXSA-N 2 1 345.531 2.537 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034661205 1272468639 /nfs/dbraw/zinc/46/86/39/1272468639.db2.gz LCLINMWRYRQMQK-ULQDDVLXSA-N 2 1 341.927 2.734 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCN(CC)CC3)C2)CC1 ZINC001169244883 1272765952 /nfs/dbraw/zinc/76/59/52/1272765952.db2.gz XUCIHMDDKZHMRH-UHFFFAOYSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CC[NH+](CC)CC3)C2)CC1 ZINC001169244883 1272765960 /nfs/dbraw/zinc/76/59/60/1272765960.db2.gz XUCIHMDDKZHMRH-UHFFFAOYSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CC[NH+](CC)CC3)C2)CC1 ZINC001169244883 1272765970 /nfs/dbraw/zinc/76/59/70/1272765970.db2.gz XUCIHMDDKZHMRH-UHFFFAOYSA-N 2 1 349.519 2.971 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169472289 1272963384 /nfs/dbraw/zinc/96/33/84/1272963384.db2.gz XCCFOWAGANGKEE-UHFFFAOYSA-N 2 1 343.475 2.947 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005720877 1273010700 /nfs/dbraw/zinc/01/07/00/1273010700.db2.gz DTKAKPYAQSRQBG-UHFFFAOYSA-N 2 1 344.503 2.651 20 30 EFEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734091 1273412509 /nfs/dbraw/zinc/41/25/09/1273412509.db2.gz NIQTVIPHZDWXOR-SCTDSRPQSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733865 1273421519 /nfs/dbraw/zinc/42/15/19/1273421519.db2.gz JFLKFCVEFJZAIZ-NSHGMRRFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733880 1273421557 /nfs/dbraw/zinc/42/15/57/1273421557.db2.gz JJBXRXZNQOXNNB-BJLQDIEVSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778463 1273475003 /nfs/dbraw/zinc/47/50/03/1273475003.db2.gz SQYHLMCQFDYQAV-BZSNNMDCSA-N 2 1 330.476 2.517 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778296 1273475218 /nfs/dbraw/zinc/47/52/18/1273475218.db2.gz MYYWPUBRYNPCTN-OTWHNJEPSA-N 2 1 344.503 2.907 20 30 EFEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821099 1273527990 /nfs/dbraw/zinc/52/79/90/1273527990.db2.gz AIRIOZRAOXIWKO-FHWLQOOXSA-N 2 1 344.503 2.907 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184384 1273750302 /nfs/dbraw/zinc/75/03/02/1273750302.db2.gz JPEGALGBACNQMY-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184384 1273750310 /nfs/dbraw/zinc/75/03/10/1273750310.db2.gz JPEGALGBACNQMY-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184384 1273750314 /nfs/dbraw/zinc/75/03/14/1273750314.db2.gz JPEGALGBACNQMY-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184374 1273751632 /nfs/dbraw/zinc/75/16/32/1273751632.db2.gz JHIMFVXDCLZJRX-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184374 1273751642 /nfs/dbraw/zinc/75/16/42/1273751642.db2.gz JHIMFVXDCLZJRX-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184374 1273751648 /nfs/dbraw/zinc/75/16/48/1273751648.db2.gz JHIMFVXDCLZJRX-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197444 1273761561 /nfs/dbraw/zinc/76/15/61/1273761561.db2.gz XFGGYNKYAKVFRR-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH]ccc-3n1)CC2 ZINC001035198046 1273765025 /nfs/dbraw/zinc/76/50/25/1273765025.db2.gz BKJZBMQLPLMCOD-UHFFFAOYSA-N 2 1 336.439 2.514 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035198969 1273765392 /nfs/dbraw/zinc/76/53/92/1273765392.db2.gz CJQAQHDIZASKIG-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198969 1273765396 /nfs/dbraw/zinc/76/53/96/1273765396.db2.gz CJQAQHDIZASKIG-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198969 1273765403 /nfs/dbraw/zinc/76/54/03/1273765403.db2.gz CJQAQHDIZASKIG-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233530 1273885193 /nfs/dbraw/zinc/88/51/93/1273885193.db2.gz HIAGGZSZOSPPGZ-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233530 1273885200 /nfs/dbraw/zinc/88/52/00/1273885200.db2.gz HIAGGZSZOSPPGZ-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233530 1273885211 /nfs/dbraw/zinc/88/52/11/1273885211.db2.gz HIAGGZSZOSPPGZ-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243581 1273913001 /nfs/dbraw/zinc/91/30/01/1273913001.db2.gz AKMCMYKLROEFSA-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035244800 1273916245 /nfs/dbraw/zinc/91/62/45/1273916245.db2.gz CQYRFQWMGJPRIY-UHFFFAOYSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244523 1273916962 /nfs/dbraw/zinc/91/69/62/1273916962.db2.gz QEHBIMFUQAJAHK-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259854 1273953518 /nfs/dbraw/zinc/95/35/18/1273953518.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259854 1273953532 /nfs/dbraw/zinc/95/35/32/1273953532.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259854 1273953540 /nfs/dbraw/zinc/95/35/40/1273953540.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259855 1273956100 /nfs/dbraw/zinc/95/61/00/1273956100.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259855 1273956105 /nfs/dbraw/zinc/95/61/05/1273956105.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259855 1273956113 /nfs/dbraw/zinc/95/61/13/1273956113.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260533 1273956532 /nfs/dbraw/zinc/95/65/32/1273956532.db2.gz YRQFSZGHPKPXGR-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260533 1273956536 /nfs/dbraw/zinc/95/65/36/1273956536.db2.gz YRQFSZGHPKPXGR-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991359 1274094166 /nfs/dbraw/zinc/09/41/66/1274094166.db2.gz NUWKAWJWZPOKNN-ROUUACIJSA-N 2 1 341.540 2.552 20 30 EFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991359 1274094175 /nfs/dbraw/zinc/09/41/75/1274094175.db2.gz NUWKAWJWZPOKNN-ROUUACIJSA-N 2 1 341.540 2.552 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308500 1274106562 /nfs/dbraw/zinc/10/65/62/1274106562.db2.gz WAEVBTHMCQXOAT-YVSFHVDLSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308500 1274106569 /nfs/dbraw/zinc/10/65/69/1274106569.db2.gz WAEVBTHMCQXOAT-YVSFHVDLSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449504 1274284525 /nfs/dbraw/zinc/28/45/25/1274284525.db2.gz YIADQKPAFXCMGV-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449504 1274284529 /nfs/dbraw/zinc/28/45/29/1274284529.db2.gz YIADQKPAFXCMGV-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449504 1274284534 /nfs/dbraw/zinc/28/45/34/1274284534.db2.gz YIADQKPAFXCMGV-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449504 1274284537 /nfs/dbraw/zinc/28/45/37/1274284537.db2.gz YIADQKPAFXCMGV-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000804128170 1274404832 /nfs/dbraw/zinc/40/48/32/1274404832.db2.gz UDHMLNFUBACKNU-QGZVFWFLSA-N 2 1 337.895 2.957 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720926 1274407504 /nfs/dbraw/zinc/40/75/04/1274407504.db2.gz OTYVJBYFQOVMAR-SFHVURJKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560662 1274419207 /nfs/dbraw/zinc/41/92/07/1274419207.db2.gz LSPRJEJCKFXAQH-SQNIBIBYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741676 1274434645 /nfs/dbraw/zinc/43/46/45/1274434645.db2.gz QLIYAJKLJACNKP-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741574 1274434779 /nfs/dbraw/zinc/43/47/79/1274434779.db2.gz NNELMWBRMDNLIC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773294 1274497824 /nfs/dbraw/zinc/49/78/24/1274497824.db2.gz VTFSOOVLROHLOW-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773370 1274498593 /nfs/dbraw/zinc/49/85/93/1274498593.db2.gz XRRNKMXYCSGEIU-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035812240 1274543911 /nfs/dbraw/zinc/54/39/11/1274543911.db2.gz NICVXJHXPXMMAP-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035815124 1274548409 /nfs/dbraw/zinc/54/84/09/1274548409.db2.gz YPWGGSUZMSCEQT-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719685 1274572797 /nfs/dbraw/zinc/57/27/97/1274572797.db2.gz KWFPKCHBNDIVSA-BDXSIMOUSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719685 1274572804 /nfs/dbraw/zinc/57/28/04/1274572804.db2.gz KWFPKCHBNDIVSA-BDXSIMOUSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719685 1274572808 /nfs/dbraw/zinc/57/28/08/1274572808.db2.gz KWFPKCHBNDIVSA-BDXSIMOUSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035856794 1274604085 /nfs/dbraw/zinc/60/40/85/1274604085.db2.gz COOAYHOJXGWREZ-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171118202 1278898064 /nfs/dbraw/zinc/89/80/64/1278898064.db2.gz DIAFUJDDAMIZIG-JKSUJKDBSA-N 2 1 329.916 2.878 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966312 1274916166 /nfs/dbraw/zinc/91/61/66/1274916166.db2.gz LLJGCFBPQCVTFC-XODKDNOYSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966312 1274916174 /nfs/dbraw/zinc/91/61/74/1274916174.db2.gz LLJGCFBPQCVTFC-XODKDNOYSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557398 1275148144 /nfs/dbraw/zinc/14/81/44/1275148144.db2.gz DTCBJLDWSRVTGD-BJLQDIEVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036209570 1275229389 /nfs/dbraw/zinc/22/93/89/1275229389.db2.gz SUULASQGDGQGNK-DZGCQCFKSA-N 2 1 338.883 2.586 20 30 EFEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578294 1275284843 /nfs/dbraw/zinc/28/48/43/1275284843.db2.gz HWIMVWMMUOVMDL-DYXWJJEUSA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(C)CN1CC2(CCC1=O)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273143132 1275383897 /nfs/dbraw/zinc/38/38/97/1275383897.db2.gz CEWHOWQFCDQHJI-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112911660 1276233379 /nfs/dbraw/zinc/23/33/79/1276233379.db2.gz WKSZMLFBZNDDPL-KRWDZBQOSA-N 2 1 327.488 2.557 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965609 1276352396 /nfs/dbraw/zinc/35/23/96/1276352396.db2.gz LIKZWIOAVCVXJA-HKUYNNGSSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873286 1276563988 /nfs/dbraw/zinc/56/39/88/1276563988.db2.gz LZVVKUXSXCIYHL-FQEVSTJZSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859674 1276790804 /nfs/dbraw/zinc/79/08/04/1276790804.db2.gz ZUKKTVORAZPVOT-YSTOQKLRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861261 1276851557 /nfs/dbraw/zinc/85/15/57/1276851557.db2.gz CNPCEFGUXMBWKF-CALCHBBNSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086579185 1276952362 /nfs/dbraw/zinc/95/23/62/1276952362.db2.gz QDDYSAGFVGYZOI-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579185 1276952369 /nfs/dbraw/zinc/95/23/69/1276952369.db2.gz QDDYSAGFVGYZOI-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579185 1276952375 /nfs/dbraw/zinc/95/23/75/1276952375.db2.gz QDDYSAGFVGYZOI-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005988965 1277307554 /nfs/dbraw/zinc/30/75/54/1277307554.db2.gz ZBQHIKTWEXSRST-LJQANCHMSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000820810411 1277318839 /nfs/dbraw/zinc/31/88/39/1277318839.db2.gz WLQJRZSHBSBZDX-MRXNPFEDSA-N 2 1 325.460 2.958 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113399102 1277755089 /nfs/dbraw/zinc/75/50/89/1277755089.db2.gz QPDNXGYPYTZJQY-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2ccccn2)C1)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000792880302 1279232799 /nfs/dbraw/zinc/23/27/99/1279232799.db2.gz CVDBTABBCGOWHA-WOJBJXKFSA-N 2 1 346.478 2.759 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068230 1279505372 /nfs/dbraw/zinc/50/53/72/1279505372.db2.gz GAZFDHMUWWDXRM-VMBOVVBDSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175289489 1287375182 /nfs/dbraw/zinc/37/51/82/1287375182.db2.gz SMGBCERKEUTCPU-MRXNPFEDSA-N 2 1 348.491 2.725 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272209 1287387694 /nfs/dbraw/zinc/38/76/94/1287387694.db2.gz IGDQHSZYSNXCAO-RDJZCZTQSA-N 2 1 332.492 2.595 20 30 EFEDMP CN(C)c1ccc(Nc2ccc(N3CCN(C)CC3)c(C#N)c2)cn1 ZINC001175344108 1287390584 /nfs/dbraw/zinc/39/05/84/1287390584.db2.gz UOGPOUAOJAQTAH-UHFFFAOYSA-N 2 1 336.443 2.515 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001171212849 1280028703 /nfs/dbraw/zinc/02/87/03/1280028703.db2.gz QTHFYELYUGFICD-OAHLLOKOSA-N 2 1 347.422 2.780 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001171212849 1280028709 /nfs/dbraw/zinc/02/87/09/1280028709.db2.gz QTHFYELYUGFICD-OAHLLOKOSA-N 2 1 347.422 2.780 20 30 EFEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199245 1280084783 /nfs/dbraw/zinc/08/47/83/1280084783.db2.gz GBOZXDOJHNHMJK-FAFZWHIHSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115083 1280195659 /nfs/dbraw/zinc/19/56/59/1280195659.db2.gz NTFDSEYCFFATEG-QYZOEREBSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115374 1280208706 /nfs/dbraw/zinc/20/87/06/1280208706.db2.gz VMKKABRTMIBLQZ-QYZOEREBSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236047 1280291874 /nfs/dbraw/zinc/29/18/74/1280291874.db2.gz KMDZLXXSALCDHA-SJORKVTESA-N 2 1 343.943 2.981 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001129790780 1280341618 /nfs/dbraw/zinc/34/16/18/1280341618.db2.gz HSRHXKIPAHOGMX-UTKZUKDTSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001129790780 1280341629 /nfs/dbraw/zinc/34/16/29/1280341629.db2.gz HSRHXKIPAHOGMX-UTKZUKDTSA-N 2 1 349.478 2.704 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707641 1281006843 /nfs/dbraw/zinc/00/68/43/1281006843.db2.gz VRCXPAOGRZORHK-JKSUJKDBSA-N 2 1 337.895 2.744 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707641 1281006850 /nfs/dbraw/zinc/00/68/50/1281006850.db2.gz VRCXPAOGRZORHK-JKSUJKDBSA-N 2 1 337.895 2.744 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCC ZINC001171307916 1281192260 /nfs/dbraw/zinc/19/22/60/1281192260.db2.gz NKLXFDIUNKQZQU-MOPGFXCFSA-N 2 1 335.536 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCC ZINC001171307916 1281192266 /nfs/dbraw/zinc/19/22/66/1281192266.db2.gz NKLXFDIUNKQZQU-MOPGFXCFSA-N 2 1 335.536 2.929 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308307 1281193300 /nfs/dbraw/zinc/19/33/00/1281193300.db2.gz QNMBJUNBWDZBAS-MGBKSAOESA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308307 1281193307 /nfs/dbraw/zinc/19/33/07/1281193307.db2.gz QNMBJUNBWDZBAS-MGBKSAOESA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308522 1281193355 /nfs/dbraw/zinc/19/33/55/1281193355.db2.gz TYQYFZUMKISFRT-OALUTQOASA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308522 1281193359 /nfs/dbraw/zinc/19/33/59/1281193359.db2.gz TYQYFZUMKISFRT-OALUTQOASA-N 2 1 335.536 2.785 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572700 1281209246 /nfs/dbraw/zinc/20/92/46/1281209246.db2.gz KKAWXRLUPVQADS-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147582945 1281211959 /nfs/dbraw/zinc/21/19/59/1281211959.db2.gz KAEVNVFVCQNQGD-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147582945 1281211966 /nfs/dbraw/zinc/21/19/66/1281211966.db2.gz KAEVNVFVCQNQGD-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147717562 1281245203 /nfs/dbraw/zinc/24/52/03/1281245203.db2.gz ZPSUHYRRLLNKQO-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001147717562 1281245211 /nfs/dbraw/zinc/24/52/11/1281245211.db2.gz ZPSUHYRRLLNKQO-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001147717562 1281245219 /nfs/dbraw/zinc/24/52/19/1281245219.db2.gz ZPSUHYRRLLNKQO-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724644 1281247984 /nfs/dbraw/zinc/24/79/84/1281247984.db2.gz LOSLFXOSXNTHEF-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784269 1287485441 /nfs/dbraw/zinc/48/54/41/1287485441.db2.gz HRYZUHVDNMWXCB-OALUTQOASA-N 2 1 347.547 2.929 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784267 1287485631 /nfs/dbraw/zinc/48/56/31/1287485631.db2.gz HRYZUHVDNMWXCB-MOPGFXCFSA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001147829897 1281308441 /nfs/dbraw/zinc/30/84/41/1281308441.db2.gz MKJBVYQCHJATFK-UHFFFAOYSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317774 /nfs/dbraw/zinc/31/77/74/1281317774.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317782 /nfs/dbraw/zinc/31/77/82/1281317782.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317788 /nfs/dbraw/zinc/31/77/88/1281317788.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318295 /nfs/dbraw/zinc/31/82/95/1281318295.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318305 /nfs/dbraw/zinc/31/83/05/1281318305.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318309 /nfs/dbraw/zinc/31/83/09/1281318309.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899457 1281352294 /nfs/dbraw/zinc/35/22/94/1281352294.db2.gz XIBTYPNZBFXJDE-UHFFFAOYSA-N 2 1 332.492 2.696 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899457 1281352307 /nfs/dbraw/zinc/35/23/07/1281352307.db2.gz XIBTYPNZBFXJDE-UHFFFAOYSA-N 2 1 332.492 2.696 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147984843 1281391978 /nfs/dbraw/zinc/39/19/78/1281391978.db2.gz AVJCXZFCGMWCIU-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284843 1281492714 /nfs/dbraw/zinc/49/27/14/1281492714.db2.gz HJJITXDIOAAOPG-MSOLQXFVSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494974 /nfs/dbraw/zinc/49/49/74/1281494974.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494975 /nfs/dbraw/zinc/49/49/75/1281494975.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494979 /nfs/dbraw/zinc/49/49/79/1281494979.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604613 1281648480 /nfs/dbraw/zinc/64/84/80/1281648480.db2.gz IVMOQRYOGNZUME-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604613 1281648496 /nfs/dbraw/zinc/64/84/96/1281648496.db2.gz IVMOQRYOGNZUME-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604613 1281648509 /nfs/dbraw/zinc/64/85/09/1281648509.db2.gz IVMOQRYOGNZUME-SFHVURJKSA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611649 1281651854 /nfs/dbraw/zinc/65/18/54/1281651854.db2.gz HSAXCBYMHRRRNI-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148612215 1281653176 /nfs/dbraw/zinc/65/31/76/1281653176.db2.gz XDYSOSKKVYKPEM-INIZCTEOSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148612215 1281653187 /nfs/dbraw/zinc/65/31/87/1281653187.db2.gz XDYSOSKKVYKPEM-INIZCTEOSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833758 1281760441 /nfs/dbraw/zinc/76/04/41/1281760441.db2.gz ILSQOJLAVOHIPC-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921487 1281931707 /nfs/dbraw/zinc/93/17/07/1281931707.db2.gz QQSUHXNFVDKWCQ-RTBURBONSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921484 1281932700 /nfs/dbraw/zinc/93/27/00/1281932700.db2.gz QQSUHXNFVDKWCQ-MOPGFXCFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924302 1281939083 /nfs/dbraw/zinc/93/90/83/1281939083.db2.gz OUCTYDNRRDGCHS-RCCFBDPRSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926767 1281948375 /nfs/dbraw/zinc/94/83/75/1281948375.db2.gz JIGHEFKHFSJRHH-OALUTQOASA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941169 1281968255 /nfs/dbraw/zinc/96/82/55/1281968255.db2.gz LGNDCZNCPTZSKM-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942108 1281971879 /nfs/dbraw/zinc/97/18/79/1281971879.db2.gz JBDXLBAVVYKYJG-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942392 1281972486 /nfs/dbraw/zinc/97/24/86/1281972486.db2.gz PQUBENDNOBEBQI-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928050 1281990083 /nfs/dbraw/zinc/99/00/83/1281990083.db2.gz UOIJZLNLDYAKSA-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952831 1282016228 /nfs/dbraw/zinc/01/62/28/1282016228.db2.gz RLFJHKVBADIHLY-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856212 1282191364 /nfs/dbraw/zinc/19/13/64/1282191364.db2.gz LAYQYPFZCXIHGE-XLIONFOSSA-N 2 1 338.455 2.694 20 30 EFEDMP C#Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000809602672 1282338784 /nfs/dbraw/zinc/33/87/84/1282338784.db2.gz VISBUBFSOUNWPL-LJQANCHMSA-N 2 1 339.508 2.808 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369561 /nfs/dbraw/zinc/36/95/61/1282369561.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369563 /nfs/dbraw/zinc/36/95/63/1282369563.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369566 /nfs/dbraw/zinc/36/95/66/1282369566.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092297312 1282546436 /nfs/dbraw/zinc/54/64/36/1282546436.db2.gz TXPLKHULCSIIOE-CTNGQTDRSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302861 1282549312 /nfs/dbraw/zinc/54/93/12/1282549312.db2.gz AVZZTJJNOYRODV-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671775 1282935994 /nfs/dbraw/zinc/93/59/94/1282935994.db2.gz PAOZXHKDFCUAGS-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671775 1282936006 /nfs/dbraw/zinc/93/60/06/1282936006.db2.gz PAOZXHKDFCUAGS-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671775 1282936018 /nfs/dbraw/zinc/93/60/18/1282936018.db2.gz PAOZXHKDFCUAGS-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677050 1282943218 /nfs/dbraw/zinc/94/32/18/1282943218.db2.gz VHHTZZFGKMZIOB-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677050 1282943228 /nfs/dbraw/zinc/94/32/28/1282943228.db2.gz VHHTZZFGKMZIOB-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677050 1282943241 /nfs/dbraw/zinc/94/32/41/1282943241.db2.gz VHHTZZFGKMZIOB-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190867 1287607891 /nfs/dbraw/zinc/60/78/91/1287607891.db2.gz VONQMFYQKFQBQO-QYZOEREBSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828994 1283050102 /nfs/dbraw/zinc/05/01/02/1283050102.db2.gz YCQRTNGKNFHNHT-NVXWUHKLSA-N 2 1 326.444 2.598 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132156735 1283060137 /nfs/dbraw/zinc/06/01/37/1283060137.db2.gz IILUEBQAAGBGGA-DOTOQJQBSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141526 1283068833 /nfs/dbraw/zinc/06/88/33/1283068833.db2.gz RJXUJBLIPOIKKP-ROUUACIJSA-N 2 1 344.503 2.843 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173347 1283086254 /nfs/dbraw/zinc/08/62/54/1283086254.db2.gz LEWVCGYGMSWENB-WBVHZDCISA-N 2 1 326.444 2.883 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132173649 1283086674 /nfs/dbraw/zinc/08/66/74/1283086674.db2.gz PJAZMWXNFKMSCP-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132173649 1283086680 /nfs/dbraw/zinc/08/66/80/1283086680.db2.gz PJAZMWXNFKMSCP-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183310 1283120948 /nfs/dbraw/zinc/12/09/48/1283120948.db2.gz MSNZPLUDTIXWNM-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183310 1283120955 /nfs/dbraw/zinc/12/09/55/1283120955.db2.gz MSNZPLUDTIXWNM-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092967966 1283140748 /nfs/dbraw/zinc/14/07/48/1283140748.db2.gz LFKMWSRNUZBTAG-YLJYHZDGSA-N 2 1 343.515 2.665 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025054 1283166087 /nfs/dbraw/zinc/16/60/87/1283166087.db2.gz OUVBPZJOHMKEFN-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731149 1283289996 /nfs/dbraw/zinc/28/99/96/1283289996.db2.gz OZGOODZRKRRSIE-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354669 1283380648 /nfs/dbraw/zinc/38/06/48/1283380648.db2.gz OBRSMCUXCXQDFN-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354669 1283380657 /nfs/dbraw/zinc/38/06/57/1283380657.db2.gz OBRSMCUXCXQDFN-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759322 1283462779 /nfs/dbraw/zinc/46/27/79/1283462779.db2.gz JWTCEYQZTDKFFE-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426219 1283551374 /nfs/dbraw/zinc/55/13/74/1283551374.db2.gz UDODIVCMMDLKOU-JKSUJKDBSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426219 1283551381 /nfs/dbraw/zinc/55/13/81/1283551381.db2.gz UDODIVCMMDLKOU-JKSUJKDBSA-N 2 1 330.476 2.697 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176024166 1287661039 /nfs/dbraw/zinc/66/10/39/1287661039.db2.gz MHYSOHQAQNJQNI-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793720 1283724424 /nfs/dbraw/zinc/72/44/24/1283724424.db2.gz KKYNRRVTLHWVAR-HOTGVXAUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093370912 1283806063 /nfs/dbraw/zinc/80/60/63/1283806063.db2.gz GYWZKUAUIPSRPI-SFHVURJKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371194 1283806464 /nfs/dbraw/zinc/80/64/64/1283806464.db2.gz LUUGOMDEGHQJFQ-MOPGFXCFSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001093373919 1283818441 /nfs/dbraw/zinc/81/84/41/1283818441.db2.gz UZVRRUORKWJNBN-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093373919 1283818452 /nfs/dbraw/zinc/81/84/52/1283818452.db2.gz UZVRRUORKWJNBN-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093373919 1283818460 /nfs/dbraw/zinc/81/84/60/1283818460.db2.gz UZVRRUORKWJNBN-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001093376551 1283825562 /nfs/dbraw/zinc/82/55/62/1283825562.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093376551 1283825570 /nfs/dbraw/zinc/82/55/70/1283825570.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093376551 1283825579 /nfs/dbraw/zinc/82/55/79/1283825579.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001093376563 1283827083 /nfs/dbraw/zinc/82/70/83/1283827083.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093376563 1283827092 /nfs/dbraw/zinc/82/70/92/1283827092.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093376563 1283827103 /nfs/dbraw/zinc/82/71/03/1283827103.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541416 1283862760 /nfs/dbraw/zinc/86/27/60/1283862760.db2.gz FDROGFIKBAYHGX-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541416 1283862772 /nfs/dbraw/zinc/86/27/72/1283862772.db2.gz FDROGFIKBAYHGX-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541416 1283862780 /nfs/dbraw/zinc/86/27/80/1283862780.db2.gz FDROGFIKBAYHGX-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541416 1283862792 /nfs/dbraw/zinc/86/27/92/1283862792.db2.gz FDROGFIKBAYHGX-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541235 1283863246 /nfs/dbraw/zinc/86/32/46/1283863246.db2.gz BTTQLZJAEPLWTD-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541235 1283863254 /nfs/dbraw/zinc/86/32/54/1283863254.db2.gz BTTQLZJAEPLWTD-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541235 1283863262 /nfs/dbraw/zinc/86/32/62/1283863262.db2.gz BTTQLZJAEPLWTD-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541235 1283863267 /nfs/dbraw/zinc/86/32/67/1283863267.db2.gz BTTQLZJAEPLWTD-MJGOQNOKSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834310 1284145074 /nfs/dbraw/zinc/14/50/74/1284145074.db2.gz IAUFAEUHUHADQO-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834310 1284145084 /nfs/dbraw/zinc/14/50/84/1284145084.db2.gz IAUFAEUHUHADQO-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834387 1284145860 /nfs/dbraw/zinc/14/58/60/1284145860.db2.gz JJZDSJJQMRKCCH-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834387 1284145866 /nfs/dbraw/zinc/14/58/66/1284145866.db2.gz JJZDSJJQMRKCCH-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835063 1284147701 /nfs/dbraw/zinc/14/77/01/1284147701.db2.gz UDFMGQZUJYFGGP-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835063 1284147708 /nfs/dbraw/zinc/14/77/08/1284147708.db2.gz UDFMGQZUJYFGGP-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835063 1284147714 /nfs/dbraw/zinc/14/77/14/1284147714.db2.gz UDFMGQZUJYFGGP-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858894 1284335572 /nfs/dbraw/zinc/33/55/72/1284335572.db2.gz GZNJZVQKVIUSIF-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859154 1284336777 /nfs/dbraw/zinc/33/67/77/1284336777.db2.gz LALOSVSZXKMXMZ-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176112768 1287715713 /nfs/dbraw/zinc/71/57/13/1287715713.db2.gz ZHZSVNOFQCGMJM-RTBURBONSA-N 2 1 335.536 2.929 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120217 1287716381 /nfs/dbraw/zinc/71/63/81/1287716381.db2.gz KZTXJVQANBHKOF-HKUYNNGSSA-N 2 1 329.488 2.577 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120146 1287717627 /nfs/dbraw/zinc/71/76/27/1287717627.db2.gz JRIZFNRSPPLZIB-ICSRJNTNSA-N 2 1 343.515 2.967 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012441 1284655755 /nfs/dbraw/zinc/65/57/55/1284655755.db2.gz QZWAICLMEDPFQZ-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120806 1284830410 /nfs/dbraw/zinc/83/04/10/1284830410.db2.gz BHDWQDRPFDBMOV-HOCLYGCPSA-N 2 1 343.943 2.791 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147381 1284900263 /nfs/dbraw/zinc/90/02/63/1284900263.db2.gz SEUHPCDDDGPGGT-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165518 1284922368 /nfs/dbraw/zinc/92/23/68/1284922368.db2.gz IJRITNCYWOSTQS-WMZOPIPTSA-N 2 1 332.492 2.622 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185670 1284952085 /nfs/dbraw/zinc/95/20/85/1284952085.db2.gz HBFQPCBMEPYFDZ-RTBURBONSA-N 2 1 335.536 2.596 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417194 1285043847 /nfs/dbraw/zinc/04/38/47/1285043847.db2.gz MEXFQBIWFPFBAU-SFHLNBCPSA-N 2 1 345.531 2.655 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001133399395 1285324156 /nfs/dbraw/zinc/32/41/56/1285324156.db2.gz LZVWPERXLURFCW-SFHVURJKSA-N 2 1 349.906 2.929 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094549265 1285355886 /nfs/dbraw/zinc/35/58/86/1285355886.db2.gz DOVLCXNUMOLJCP-UYAOXDASSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C(C)C ZINC001133410397 1285369750 /nfs/dbraw/zinc/36/97/50/1285369750.db2.gz CSPYZHXHUNWLJR-UHFFFAOYSA-N 2 1 349.906 2.622 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902615 1285382297 /nfs/dbraw/zinc/38/22/97/1285382297.db2.gz NAUKXXXOKZTSEQ-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902618 1285382900 /nfs/dbraw/zinc/38/29/00/1285382900.db2.gz NAUKXXXOKZTSEQ-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903101 1285384231 /nfs/dbraw/zinc/38/42/31/1285384231.db2.gz VOPCOCFVGGXIQZ-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903099 1285384783 /nfs/dbraw/zinc/38/47/83/1285384783.db2.gz VOPCOCFVGGXIQZ-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585402 1285418397 /nfs/dbraw/zinc/41/83/97/1285418397.db2.gz VDCWZLKDKGYRBK-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585402 1285418404 /nfs/dbraw/zinc/41/84/04/1285418404.db2.gz VDCWZLKDKGYRBK-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585402 1285418407 /nfs/dbraw/zinc/41/84/07/1285418407.db2.gz VDCWZLKDKGYRBK-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629118 1285661786 /nfs/dbraw/zinc/66/17/86/1285661786.db2.gz INKULAQBPVCILM-OAHLLOKOSA-N 2 1 336.480 2.581 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618903 1285681043 /nfs/dbraw/zinc/68/10/43/1285681043.db2.gz NXNBEAKMPLOXTG-QGZVFWFLSA-N 2 1 335.536 2.927 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171808803 1285822978 /nfs/dbraw/zinc/82/29/78/1285822978.db2.gz DTRSJJBQVMUFJQ-IBGZPJMESA-N 2 1 343.490 2.585 20 30 EFEDMP CCCCCCC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133889998 1286069792 /nfs/dbraw/zinc/06/97/92/1286069792.db2.gz DMZRWICQHRHRNI-UHFFFAOYSA-N 2 1 336.480 2.560 20 30 EFEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001172482885 1286144323 /nfs/dbraw/zinc/14/43/23/1286144323.db2.gz ARKWNRBZIKHHNH-MISYRCLQSA-N 2 1 332.536 2.997 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CCCC#N)CC2)C1 ZINC001172497145 1286172345 /nfs/dbraw/zinc/17/23/45/1286172345.db2.gz YSZBFFWVKLNDOB-IRXDYDNUSA-N 2 1 335.492 2.808 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CCCC#N)CC2)C1 ZINC001172497145 1286172348 /nfs/dbraw/zinc/17/23/48/1286172348.db2.gz YSZBFFWVKLNDOB-IRXDYDNUSA-N 2 1 335.492 2.808 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716639 1286281137 /nfs/dbraw/zinc/28/11/37/1286281137.db2.gz KGHOZHHDTWDKIF-YESZJQIVSA-N 2 1 341.927 2.591 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001095009284 1286406714 /nfs/dbraw/zinc/40/67/14/1286406714.db2.gz BGPRKMPCJIWAIW-BZSNNMDCSA-N 2 1 344.503 2.942 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179394969 1289119656 /nfs/dbraw/zinc/11/96/56/1289119656.db2.gz ATXXACOIHRISDK-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773690 1287171273 /nfs/dbraw/zinc/17/12/73/1287171273.db2.gz QLKQSZXOTSNQSV-HZPDHXFCSA-N 2 1 344.503 2.661 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773692 1287171360 /nfs/dbraw/zinc/17/13/60/1287171360.db2.gz QLKQSZXOTSNQSV-JKSUJKDBSA-N 2 1 344.503 2.661 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774255 1287171901 /nfs/dbraw/zinc/17/19/01/1287171901.db2.gz WWPJSWQRVWOBFT-CVEARBPZSA-N 2 1 344.503 2.661 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284774 1287923596 /nfs/dbraw/zinc/92/35/96/1287923596.db2.gz KASNGEHGKVWSKG-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110194050 1287927927 /nfs/dbraw/zinc/92/79/27/1287927927.db2.gz NFDAEWAHBBWMFQ-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110194050 1287927933 /nfs/dbraw/zinc/92/79/33/1287927933.db2.gz NFDAEWAHBBWMFQ-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194050 1287927937 /nfs/dbraw/zinc/92/79/37/1287927937.db2.gz NFDAEWAHBBWMFQ-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194050 1287927943 /nfs/dbraw/zinc/92/79/43/1287927943.db2.gz NFDAEWAHBBWMFQ-AABGKKOBSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086739954 1288094525 /nfs/dbraw/zinc/09/45/25/1288094525.db2.gz BDEFKYUFTCAICV-BBWFWOEESA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583556 1288138370 /nfs/dbraw/zinc/13/83/70/1288138370.db2.gz AHNAGRQMNBPRHH-KBPBESRZSA-N 2 1 326.872 2.632 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728395 1312671400 /nfs/dbraw/zinc/67/14/00/1312671400.db2.gz QRMVMVQSQJXSLX-HZPDHXFCSA-N 2 1 339.911 2.632 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785653 1288367943 /nfs/dbraw/zinc/36/79/43/1288367943.db2.gz ZWDFXKFQYJOKSR-HOTGVXAUSA-N 2 1 341.459 2.720 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348163 1288413264 /nfs/dbraw/zinc/41/32/64/1288413264.db2.gz AVAYUGUFZITVED-WOJBJXKFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415548 1288423767 /nfs/dbraw/zinc/42/37/67/1288423767.db2.gz BWOOHZQGBPBXFQ-SFHVURJKSA-N 2 1 335.536 2.903 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001177433938 1288438962 /nfs/dbraw/zinc/43/89/62/1288438962.db2.gz NSMXFIRFMDFLCP-UHFFFAOYSA-N 2 1 344.503 2.638 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001177437133 1288441047 /nfs/dbraw/zinc/44/10/47/1288441047.db2.gz MYPNLAVWYDOYOW-INIZCTEOSA-N 2 1 332.492 2.773 20 30 EFEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477793 1288464369 /nfs/dbraw/zinc/46/43/69/1288464369.db2.gz MIINUDXIPHHMGI-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736112 1312672799 /nfs/dbraw/zinc/67/27/99/1312672799.db2.gz HRVLZOQUKKYMHE-MSOLQXFVSA-N 2 1 333.520 2.846 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490416 1288802087 /nfs/dbraw/zinc/80/20/87/1288802087.db2.gz NBFJUGVEUZQNEX-LJQANCHMSA-N 2 1 347.547 2.931 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)CCC=C ZINC001178722874 1288868062 /nfs/dbraw/zinc/86/80/62/1288868062.db2.gz RWRBJAXDYQOLAY-OALUTQOASA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)CCC=C ZINC001178722874 1288868069 /nfs/dbraw/zinc/86/80/69/1288868069.db2.gz RWRBJAXDYQOLAY-OALUTQOASA-N 2 1 333.520 2.705 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698726 1288876754 /nfs/dbraw/zinc/87/67/54/1288876754.db2.gz RWBLQSHUIYYLJX-KRWDZBQOSA-N 2 1 332.492 2.993 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698727 1288876803 /nfs/dbraw/zinc/87/68/03/1288876803.db2.gz RWBLQSHUIYYLJX-QGZVFWFLSA-N 2 1 332.492 2.993 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736335 1288889234 /nfs/dbraw/zinc/88/92/34/1288889234.db2.gz VNBAJGVQTTYGCT-IKGGRYGDSA-N 2 1 332.492 2.942 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178902720 1288975198 /nfs/dbraw/zinc/97/51/98/1288975198.db2.gz DJDDSZVIPVMVIV-UHFFFAOYSA-N 2 1 335.536 2.929 20 30 EFEDMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001179991832 1289356800 /nfs/dbraw/zinc/35/68/00/1289356800.db2.gz AUEBZORZDXUOIL-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926778 1312705458 /nfs/dbraw/zinc/70/54/58/1312705458.db2.gz CLFKBQQWGIKHIF-SFHVURJKSA-N 2 1 335.536 2.949 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927123 1312706228 /nfs/dbraw/zinc/70/62/28/1312706228.db2.gz RJXGJDVDDBXWLO-GOSISDBHSA-N 2 1 335.536 2.949 20 30 EFEDMP N#Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232477698 1312713056 /nfs/dbraw/zinc/71/30/56/1312713056.db2.gz FFQGKGIRVOTVTQ-UHFFFAOYSA-N 2 1 347.466 2.836 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181442115 1289808686 /nfs/dbraw/zinc/80/86/86/1289808686.db2.gz XUWIGFWOWSUGEI-QWFCFKBJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181517978 1289852208 /nfs/dbraw/zinc/85/22/08/1289852208.db2.gz LUWMKYLSXVQBML-JTDSTZFVSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720702 1289914979 /nfs/dbraw/zinc/91/49/79/1289914979.db2.gz NBHTYAHPHLYTDR-QWFCFKBJSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727634 1289916898 /nfs/dbraw/zinc/91/68/98/1289916898.db2.gz ADTOUJCEZYEPQR-FUHIMQAGSA-N 2 1 344.503 2.801 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727635 1289917347 /nfs/dbraw/zinc/91/73/47/1289917347.db2.gz ADTOUJCEZYEPQR-MBOZVWFJSA-N 2 1 344.503 2.801 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)CCC=C)C1 ZINC001181763217 1289932930 /nfs/dbraw/zinc/93/29/30/1289932930.db2.gz CQEDYGAEOOVNIS-WERVVEIQSA-N 2 1 345.531 2.513 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)CCC=C)C1 ZINC001181763217 1289932935 /nfs/dbraw/zinc/93/29/35/1289932935.db2.gz CQEDYGAEOOVNIS-WERVVEIQSA-N 2 1 345.531 2.513 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202001 1312745370 /nfs/dbraw/zinc/74/53/70/1312745370.db2.gz CNEALPWOOKNGKX-UHFFFAOYSA-N 2 1 332.492 2.814 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)cccc2OC)CC1 ZINC001232623480 1312745826 /nfs/dbraw/zinc/74/58/26/1312745826.db2.gz QCCOEIHBTHBUPI-UHFFFAOYSA-N 2 1 343.515 2.795 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc[nH+]cc4)C[C@H]3CC2)cc1C#N ZINC001277693748 1312750069 /nfs/dbraw/zinc/75/00/69/1312750069.db2.gz KWHMUCZBZHBOBW-HDICACEKSA-N 2 1 335.455 2.640 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183255126 1290320415 /nfs/dbraw/zinc/32/04/15/1290320415.db2.gz JURNEKNLZGCZFE-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000876709440 1290986739 /nfs/dbraw/zinc/98/67/39/1290986739.db2.gz RGSKVQFZRWLKIS-ZIAGYGMSSA-N 2 1 330.259 2.529 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000876951525 1291082740 /nfs/dbraw/zinc/08/27/40/1291082740.db2.gz NZTBHRILJQRFOJ-OAHLLOKOSA-N 2 1 339.443 2.764 20 30 EFEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001233043956 1312841703 /nfs/dbraw/zinc/84/17/03/1312841703.db2.gz JBTQAPGXTWQWSR-UHFFFAOYSA-N 2 1 335.455 2.769 20 30 EFEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233043956 1312841707 /nfs/dbraw/zinc/84/17/07/1312841707.db2.gz JBTQAPGXTWQWSR-UHFFFAOYSA-N 2 1 335.455 2.769 20 30 EFEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082995 1312852410 /nfs/dbraw/zinc/85/24/10/1312852410.db2.gz OCNQVGGIEYCNEN-HXUWFJFHSA-N 2 1 327.472 2.942 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869543 1312857185 /nfs/dbraw/zinc/85/71/85/1312857185.db2.gz CUGDOJBJIQYXMO-QGZVFWFLSA-N 2 1 344.503 2.596 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001189276197 1291662947 /nfs/dbraw/zinc/66/29/47/1291662947.db2.gz HTAUEXNXZCQZCI-FGTMMUONSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276197 1291662954 /nfs/dbraw/zinc/66/29/54/1291662954.db2.gz HTAUEXNXZCQZCI-FGTMMUONSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276197 1291662963 /nfs/dbraw/zinc/66/29/63/1291662963.db2.gz HTAUEXNXZCQZCI-FGTMMUONSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189277217 1291664014 /nfs/dbraw/zinc/66/40/14/1291664014.db2.gz QXBPOCPJNPALSC-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189277217 1291664015 /nfs/dbraw/zinc/66/40/15/1291664015.db2.gz QXBPOCPJNPALSC-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426287 1291721878 /nfs/dbraw/zinc/72/18/78/1291721878.db2.gz UKIJTZYDRIPCRL-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545080 1291739133 /nfs/dbraw/zinc/73/91/33/1291739133.db2.gz GPOQPTNBPFJLAI-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559135 1291764538 /nfs/dbraw/zinc/76/45/38/1291764538.db2.gz CVXULDXCMUEXDE-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573416 1291785941 /nfs/dbraw/zinc/78/59/41/1291785941.db2.gz XEXHHYFVMHSQAR-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593429 1291832430 /nfs/dbraw/zinc/83/24/30/1291832430.db2.gz XNLYEFIGWHZBMZ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617491 1291891026 /nfs/dbraw/zinc/89/10/26/1291891026.db2.gz NMVMZLXVCTZTMM-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630946 1312891311 /nfs/dbraw/zinc/89/13/11/1312891311.db2.gz LRFGDLQFIMMQON-RCCFBDPRSA-N 2 1 333.520 2.654 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221458 1292050361 /nfs/dbraw/zinc/05/03/61/1292050361.db2.gz AQVVFKYFYUYZMT-RTBURBONSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247077 1292077838 /nfs/dbraw/zinc/07/78/38/1292077838.db2.gz KJSQGCZVSYIXGY-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247077 1292077845 /nfs/dbraw/zinc/07/78/45/1292077845.db2.gz KJSQGCZVSYIXGY-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247077 1292077850 /nfs/dbraw/zinc/07/78/50/1292077850.db2.gz KJSQGCZVSYIXGY-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325120 1292117381 /nfs/dbraw/zinc/11/73/81/1292117381.db2.gz RXWQSEAFISKMIX-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325101 1292117552 /nfs/dbraw/zinc/11/75/52/1292117552.db2.gz REAKXJZPNBOKNI-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654654 1312906504 /nfs/dbraw/zinc/90/65/04/1312906504.db2.gz IQCICFFQGUQYIQ-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190480575 1292177139 /nfs/dbraw/zinc/17/71/39/1292177139.db2.gz CYFUGVYZCXOWDG-FGTMMUONSA-N 2 1 330.476 2.551 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479049 1312908300 /nfs/dbraw/zinc/90/83/00/1312908300.db2.gz XHONWSADRQKUNU-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656569 1292270825 /nfs/dbraw/zinc/27/08/25/1292270825.db2.gz VDRUTWPWRXBEDV-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656569 1292270834 /nfs/dbraw/zinc/27/08/34/1292270834.db2.gz VDRUTWPWRXBEDV-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656569 1292270841 /nfs/dbraw/zinc/27/08/41/1292270841.db2.gz VDRUTWPWRXBEDV-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656568 1292271053 /nfs/dbraw/zinc/27/10/53/1292271053.db2.gz VDRUTWPWRXBEDV-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656568 1292271060 /nfs/dbraw/zinc/27/10/60/1292271060.db2.gz VDRUTWPWRXBEDV-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656568 1292271063 /nfs/dbraw/zinc/27/10/63/1292271063.db2.gz VDRUTWPWRXBEDV-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656566 1292271417 /nfs/dbraw/zinc/27/14/17/1292271417.db2.gz VDRUTWPWRXBEDV-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656566 1292271422 /nfs/dbraw/zinc/27/14/22/1292271422.db2.gz VDRUTWPWRXBEDV-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656566 1292271428 /nfs/dbraw/zinc/27/14/28/1292271428.db2.gz VDRUTWPWRXBEDV-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001190900123 1292346184 /nfs/dbraw/zinc/34/61/84/1292346184.db2.gz OCMZRYQYACEUPC-DLBZAZTESA-N 2 1 332.492 2.814 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001191010831 1292423400 /nfs/dbraw/zinc/42/34/00/1292423400.db2.gz QSRYIZWKAWNOQJ-ZWKOTPCHSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203452837 1312928286 /nfs/dbraw/zinc/92/82/86/1312928286.db2.gz QJZNDGLNPQUBFQ-DLBZAZTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468713 1312931553 /nfs/dbraw/zinc/93/15/53/1312931553.db2.gz MUYCFDKIFAKYEZ-DLBZAZTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544148 1292564016 /nfs/dbraw/zinc/56/40/16/1292564016.db2.gz ZRRQXGJBEJXNBG-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544148 1292564025 /nfs/dbraw/zinc/56/40/25/1292564025.db2.gz ZRRQXGJBEJXNBG-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493816 1312938279 /nfs/dbraw/zinc/93/82/79/1312938279.db2.gz XANSFGLUGMIRLB-ZWKOTPCHSA-N 2 1 344.503 2.955 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049515937 1312952664 /nfs/dbraw/zinc/95/26/64/1312952664.db2.gz WWDUMLNSRPLUPT-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515937 1312952667 /nfs/dbraw/zinc/95/26/67/1312952667.db2.gz WWDUMLNSRPLUPT-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515937 1312952671 /nfs/dbraw/zinc/95/26/71/1312952671.db2.gz WWDUMLNSRPLUPT-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049519701 1312959010 /nfs/dbraw/zinc/95/90/10/1312959010.db2.gz AQIVFLGILBCQOJ-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519701 1312959013 /nfs/dbraw/zinc/95/90/13/1312959013.db2.gz AQIVFLGILBCQOJ-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519701 1312959015 /nfs/dbraw/zinc/95/90/15/1312959015.db2.gz AQIVFLGILBCQOJ-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049524473 1312965827 /nfs/dbraw/zinc/96/58/27/1312965827.db2.gz MDHXFYZALMGLCB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524473 1312965831 /nfs/dbraw/zinc/96/58/31/1312965831.db2.gz MDHXFYZALMGLCB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524473 1312965835 /nfs/dbraw/zinc/96/58/35/1312965835.db2.gz MDHXFYZALMGLCB-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049529376 1312971139 /nfs/dbraw/zinc/97/11/39/1312971139.db2.gz LPPMVVDAYLCXKP-FHWLQOOXSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049529376 1312971144 /nfs/dbraw/zinc/97/11/44/1312971144.db2.gz LPPMVVDAYLCXKP-FHWLQOOXSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049529376 1312971149 /nfs/dbraw/zinc/97/11/49/1312971149.db2.gz LPPMVVDAYLCXKP-FHWLQOOXSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049529376 1312971150 /nfs/dbraw/zinc/97/11/50/1312971150.db2.gz LPPMVVDAYLCXKP-FHWLQOOXSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192780109 1293036538 /nfs/dbraw/zinc/03/65/38/1293036538.db2.gz ZPLJDNKVKAYHOO-SJLPKXTDSA-N 2 1 332.492 2.867 20 30 EFEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867440 1293070941 /nfs/dbraw/zinc/07/09/41/1293070941.db2.gz QMRQFDIEBHQVKH-FUHWJXTLSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867440 1293070946 /nfs/dbraw/zinc/07/09/46/1293070946.db2.gz QMRQFDIEBHQVKH-FUHWJXTLSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867439 1293071098 /nfs/dbraw/zinc/07/10/98/1293071098.db2.gz QMRQFDIEBHQVKH-AEFFLSMTSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867439 1293071107 /nfs/dbraw/zinc/07/11/07/1293071107.db2.gz QMRQFDIEBHQVKH-AEFFLSMTSA-N 2 1 332.492 2.859 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844763 1293079859 /nfs/dbraw/zinc/07/98/59/1293079859.db2.gz ATHVKDDTZHATOI-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192904607 1293093750 /nfs/dbraw/zinc/09/37/50/1293093750.db2.gz BCMNCJGTJDHYSH-MRXNPFEDSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924313 1293111410 /nfs/dbraw/zinc/11/14/10/1293111410.db2.gz YNRHGALXTAVYLT-HOTGVXAUSA-N 2 1 329.916 2.638 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924313 1293111415 /nfs/dbraw/zinc/11/14/15/1293111415.db2.gz YNRHGALXTAVYLT-HOTGVXAUSA-N 2 1 329.916 2.638 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049536434 1312979266 /nfs/dbraw/zinc/97/92/66/1312979266.db2.gz NQJJVIBJMQXIIR-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536434 1312979268 /nfs/dbraw/zinc/97/92/68/1312979268.db2.gz NQJJVIBJMQXIIR-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536434 1312979270 /nfs/dbraw/zinc/97/92/70/1312979270.db2.gz NQJJVIBJMQXIIR-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788498 1312980208 /nfs/dbraw/zinc/98/02/08/1312980208.db2.gz ZGVGROGULYQXJH-OALUTQOASA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788750 1312981063 /nfs/dbraw/zinc/98/10/63/1312981063.db2.gz CNFFQSXIDDINJW-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383305 1293284589 /nfs/dbraw/zinc/28/45/89/1293284589.db2.gz RTVMCWYUSIRQAB-YLJYHZDGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399045 1293287925 /nfs/dbraw/zinc/28/79/25/1293287925.db2.gz LLKQJOXENVLRNW-PZJWPPBQSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399044 1293288002 /nfs/dbraw/zinc/28/80/02/1293288002.db2.gz LLKQJOXENVLRNW-FPOVZHCZSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408892 1293296295 /nfs/dbraw/zinc/29/62/95/1293296295.db2.gz RWEDVTOAQUTDMR-CTNGQTDRSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408895 1293296394 /nfs/dbraw/zinc/29/63/94/1293296394.db2.gz RWEDVTOAQUTDMR-TZIWHRDSSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546213 1312993507 /nfs/dbraw/zinc/99/35/07/1312993507.db2.gz PNNXJGZRKIYTNV-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194226702 1293560420 /nfs/dbraw/zinc/56/04/20/1293560420.db2.gz FGMCUJMCHTWNAS-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274430 1293561594 /nfs/dbraw/zinc/56/15/94/1293561594.db2.gz HPQVVLNIXVXSIU-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274430 1293561598 /nfs/dbraw/zinc/56/15/98/1293561598.db2.gz HPQVVLNIXVXSIU-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245973 1293568468 /nfs/dbraw/zinc/56/84/68/1293568468.db2.gz HUVAGHHXKZWAQQ-SFHVURJKSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815667 1313022872 /nfs/dbraw/zinc/02/28/72/1313022872.db2.gz QKYFRWXGSPAVAQ-RBUKOAKNSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815667 1313022874 /nfs/dbraw/zinc/02/28/74/1313022874.db2.gz QKYFRWXGSPAVAQ-RBUKOAKNSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563789 1313023016 /nfs/dbraw/zinc/02/30/16/1313023016.db2.gz DKKXUZHDSCGXKG-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563789 1313023021 /nfs/dbraw/zinc/02/30/21/1313023021.db2.gz DKKXUZHDSCGXKG-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563789 1313023025 /nfs/dbraw/zinc/02/30/25/1313023025.db2.gz DKKXUZHDSCGXKG-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707874 1294059983 /nfs/dbraw/zinc/05/99/83/1294059983.db2.gz KJXQGEFCBJWIMD-MRXNPFEDSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195901006 1294062718 /nfs/dbraw/zinc/06/27/18/1294062718.db2.gz UAJROMPCUKNVMX-QGZVFWFLSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195901006 1294062721 /nfs/dbraw/zinc/06/27/21/1294062721.db2.gz UAJROMPCUKNVMX-QGZVFWFLSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195901006 1294062725 /nfs/dbraw/zinc/06/27/25/1294062725.db2.gz UAJROMPCUKNVMX-QGZVFWFLSA-N 2 1 332.492 2.897 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711848 1294129464 /nfs/dbraw/zinc/12/94/64/1294129464.db2.gz KVICXQDSVVBYRM-FQEVSTJZSA-N 2 1 327.472 2.505 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163481 1294155073 /nfs/dbraw/zinc/15/50/73/1294155073.db2.gz PEVPTVWDDOPFJI-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163481 1294155075 /nfs/dbraw/zinc/15/50/75/1294155075.db2.gz PEVPTVWDDOPFJI-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163478 1294155206 /nfs/dbraw/zinc/15/52/06/1294155206.db2.gz PEVPTVWDDOPFJI-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163478 1294155208 /nfs/dbraw/zinc/15/52/08/1294155208.db2.gz PEVPTVWDDOPFJI-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001196309942 1294186672 /nfs/dbraw/zinc/18/66/72/1294186672.db2.gz KCAAFDAVNCICGV-SFHVURJKSA-N 2 1 344.503 2.726 20 30 EFEDMP C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2cncn2c1 ZINC001049589697 1313058812 /nfs/dbraw/zinc/05/88/12/1313058812.db2.gz AWCPEWUGSPXKSJ-SJORKVTESA-N 2 1 344.846 2.766 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001197158167 1294470445 /nfs/dbraw/zinc/47/04/45/1294470445.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001197158167 1294470447 /nfs/dbraw/zinc/47/04/47/1294470447.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001197158167 1294470449 /nfs/dbraw/zinc/47/04/49/1294470449.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)cc1 ZINC000303703535 1294563248 /nfs/dbraw/zinc/56/32/48/1294563248.db2.gz JLXLLYFTKBRGGJ-SFHVURJKSA-N 2 1 330.476 2.537 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)cc1 ZINC000303703534 1294563577 /nfs/dbraw/zinc/56/35/77/1294563577.db2.gz JLXLLYFTKBRGGJ-GOSISDBHSA-N 2 1 330.476 2.537 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303774999 1294577775 /nfs/dbraw/zinc/57/77/75/1294577775.db2.gz GLTAIHCRQIKLEG-MRXNPFEDSA-N 2 1 346.544 2.925 20 30 EFEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303775698 1294578154 /nfs/dbraw/zinc/57/81/54/1294578154.db2.gz GXUNAHQVCBDLSI-SFHVURJKSA-N 2 1 332.492 2.927 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000303790622 1294580821 /nfs/dbraw/zinc/58/08/21/1294580821.db2.gz WQEDUMJFQKACBC-KRWDZBQOSA-N 2 1 326.444 2.595 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791176 1294582984 /nfs/dbraw/zinc/58/29/84/1294582984.db2.gz XCMSGHHCQCJKCU-SFHVURJKSA-N 2 1 340.471 2.737 20 30 EFEDMP COc1cccc(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303792462 1294583318 /nfs/dbraw/zinc/58/33/18/1294583318.db2.gz YNXRIRYYAYMVAY-UHFFFAOYSA-N 2 1 326.444 2.944 20 30 EFEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C[C@H](C)O1 ZINC000303879977 1294594243 /nfs/dbraw/zinc/59/42/43/1294594243.db2.gz GVIQWDZTCIFENW-CALCHBBNSA-N 2 1 344.503 2.596 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303881117 1294596274 /nfs/dbraw/zinc/59/62/74/1294596274.db2.gz KQSIBAOXMKCHDD-DLBZAZTESA-N 2 1 345.535 2.810 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000303890185 1294598444 /nfs/dbraw/zinc/59/84/44/1294598444.db2.gz MIVZPJHVTWXSJK-QGZVFWFLSA-N 2 1 330.476 2.703 20 30 EFEDMP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000303899887 1294601092 /nfs/dbraw/zinc/60/10/92/1294601092.db2.gz RVCUEODVGONSSP-MRXNPFEDSA-N 2 1 328.504 2.870 20 30 EFEDMP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000303899887 1294601099 /nfs/dbraw/zinc/60/10/99/1294601099.db2.gz RVCUEODVGONSSP-MRXNPFEDSA-N 2 1 328.504 2.870 20 30 EFEDMP CCCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000303902129 1294601258 /nfs/dbraw/zinc/60/12/58/1294601258.db2.gz SZAKWKZWKHSWDS-QGZVFWFLSA-N 2 1 332.492 2.927 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001276359099 1294609786 /nfs/dbraw/zinc/60/97/86/1294609786.db2.gz GEAHBPRJCYRWQP-UHFFFAOYSA-N 2 1 326.488 2.954 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615563 1313089244 /nfs/dbraw/zinc/08/92/44/1313089244.db2.gz LKZSVLCILFZCQK-XUVXKRRUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615587 1313089744 /nfs/dbraw/zinc/08/97/44/1313089744.db2.gz LVBHONLXDKCDFK-OTWHNJEPSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809716 1294725497 /nfs/dbraw/zinc/72/54/97/1294725497.db2.gz HEEQEEJYLSTGSJ-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809716 1294725504 /nfs/dbraw/zinc/72/55/04/1294725504.db2.gz HEEQEEJYLSTGSJ-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809716 1294725509 /nfs/dbraw/zinc/72/55/09/1294725509.db2.gz HEEQEEJYLSTGSJ-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809716 1294725513 /nfs/dbraw/zinc/72/55/13/1294725513.db2.gz HEEQEEJYLSTGSJ-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000886209129 1294763984 /nfs/dbraw/zinc/76/39/84/1294763984.db2.gz FLRBDDIALBYUMD-NRSPTQNISA-N 2 1 325.500 2.727 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000886209129 1294763994 /nfs/dbraw/zinc/76/39/94/1294763994.db2.gz FLRBDDIALBYUMD-NRSPTQNISA-N 2 1 325.500 2.727 20 30 EFEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000886209290 1294764131 /nfs/dbraw/zinc/76/41/31/1294764131.db2.gz JQYOEDBIHDJYIJ-OAQYLSRUSA-N 2 1 343.490 2.520 20 30 EFEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276457173 1313127176 /nfs/dbraw/zinc/12/71/76/1313127176.db2.gz IPQUAJOGFCIJKL-SWLLKCQXSA-N 2 1 337.552 2.850 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1OC ZINC001198759975 1295237362 /nfs/dbraw/zinc/23/73/62/1295237362.db2.gz OFJILMOQRPPJTH-GOSISDBHSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198776769 1295247769 /nfs/dbraw/zinc/24/77/69/1295247769.db2.gz UFWUFGUJFKOEPF-ZWKOTPCHSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677556 1313171724 /nfs/dbraw/zinc/17/17/24/1313171724.db2.gz UURJROMBQWJABJ-IAGOWNOFSA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677556 1313171727 /nfs/dbraw/zinc/17/17/27/1313171727.db2.gz UURJROMBQWJABJ-IAGOWNOFSA-N 2 1 331.460 2.596 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000104162907 1295732156 /nfs/dbraw/zinc/73/21/56/1295732156.db2.gz DRJKITIZBCEIFB-MRXNPFEDSA-N 2 1 346.544 2.782 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000104162909 1295732600 /nfs/dbraw/zinc/73/26/00/1295732600.db2.gz DRJKITIZBCEIFB-INIZCTEOSA-N 2 1 346.544 2.782 20 30 EFEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104181516 1295733628 /nfs/dbraw/zinc/73/36/28/1295733628.db2.gz IBIBJCNPELEGSG-OAHLLOKOSA-N 2 1 346.475 2.695 20 30 EFEDMP CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275131813 1296234706 /nfs/dbraw/zinc/23/47/06/1296234706.db2.gz JLFSGYFFBURVQF-MOPGFXCFSA-N 2 1 325.541 2.684 20 30 EFEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001275362505 1296262070 /nfs/dbraw/zinc/26/20/70/1296262070.db2.gz DOESYYFCFMBZCZ-UHFFFAOYSA-N 2 1 346.906 2.671 20 30 EFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001275969042 1296464779 /nfs/dbraw/zinc/46/47/79/1296464779.db2.gz XWBGNZFVCFJSMT-UHFFFAOYSA-N 2 1 340.515 2.798 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052598 1296565859 /nfs/dbraw/zinc/56/58/59/1296565859.db2.gz GPSYZOHDHRFQTO-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767104 1313277163 /nfs/dbraw/zinc/27/71/63/1313277163.db2.gz NNVXLKFUZKMTCF-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(C#N)c3)(C1)CCC2 ZINC001276242286 1296672661 /nfs/dbraw/zinc/67/26/61/1296672661.db2.gz JJMADHDNQODSCU-VQTJNVASSA-N 2 1 344.478 2.784 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960270675 1296678920 /nfs/dbraw/zinc/67/89/20/1296678920.db2.gz HWLMHMGAPYWRRF-MISYRCLQSA-N 2 1 341.499 2.522 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461458 1313293661 /nfs/dbraw/zinc/29/36/61/1313293661.db2.gz KCEGSCDSOACCJV-AEFFLSMTSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960303228 1296720686 /nfs/dbraw/zinc/72/06/86/1296720686.db2.gz DCUYSBFTYOJVAM-UYAOXDASSA-N 2 1 341.499 2.666 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000960309552 1296724416 /nfs/dbraw/zinc/72/44/16/1296724416.db2.gz AWMHDZWRFUEUAI-HSALFYBXSA-N 2 1 341.499 2.807 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789040 1313302672 /nfs/dbraw/zinc/30/26/72/1313302672.db2.gz UYNDZQKGWYTGRZ-OALUTQOASA-N 2 1 327.472 2.613 20 30 EFEDMP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205571598 1313314761 /nfs/dbraw/zinc/31/47/61/1313314761.db2.gz VUXPDIOLHCYEFB-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP N#Cc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205581509 1313317062 /nfs/dbraw/zinc/31/70/62/1313317062.db2.gz UWQXVVBTQRIJNO-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428174 1313318851 /nfs/dbraw/zinc/31/88/51/1313318851.db2.gz PGQRFWPMKSPSOI-HZPDHXFCSA-N 2 1 344.478 2.975 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594035 1313319776 /nfs/dbraw/zinc/31/97/76/1313319776.db2.gz IUCCUCCSTLBHLN-LJQANCHMSA-N 2 1 335.536 2.901 20 30 EFEDMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277947985 1313333221 /nfs/dbraw/zinc/33/32/21/1313333221.db2.gz CUWJKSJOUZNPBI-UHFFFAOYSA-N 2 1 329.492 2.885 20 30 EFEDMP N#CCCCC[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337642 /nfs/dbraw/zinc/33/76/42/1313337642.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 1 328.460 2.769 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820901 1313342696 /nfs/dbraw/zinc/34/26/96/1313342696.db2.gz PKJIAOHPGHAKPJ-MOPGFXCFSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202198000 1297279822 /nfs/dbraw/zinc/27/98/22/1297279822.db2.gz ZQUNBQVSRVRSIE-DOTOQJQBSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839182 1313368699 /nfs/dbraw/zinc/36/86/99/1313368699.db2.gz BVGCELJMDDDTHF-UXHICEINSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206056371 1313398380 /nfs/dbraw/zinc/39/83/80/1313398380.db2.gz COXPQPJKGQGQCY-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206274247 1313429463 /nfs/dbraw/zinc/42/94/63/1313429463.db2.gz FWUJRVDECKOICH-SFHVURJKSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281265 1313430936 /nfs/dbraw/zinc/43/09/36/1313430936.db2.gz GOKJAJLQEPUYTD-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235969101 1313425086 /nfs/dbraw/zinc/42/50/86/1313425086.db2.gz OEXJPBYYEFVMOS-OIISXLGYSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235969101 1313425087 /nfs/dbraw/zinc/42/50/87/1313425087.db2.gz OEXJPBYYEFVMOS-OIISXLGYSA-N 2 1 349.425 2.892 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206287587 1313432279 /nfs/dbraw/zinc/43/22/79/1313432279.db2.gz FGKJHMJBUHRMRR-KRWDZBQOSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001206308028 1313433771 /nfs/dbraw/zinc/43/37/71/1313433771.db2.gz VHAQLRPFKSIIKM-UHFFFAOYSA-N 2 1 343.515 2.565 20 30 EFEDMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076558 1313438505 /nfs/dbraw/zinc/43/85/05/1313438505.db2.gz BOARYJZUZZHPLL-HSZRJFAPSA-N 2 1 345.490 2.694 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655802 1313457673 /nfs/dbraw/zinc/45/76/73/1313457673.db2.gz KSTCLFBWLWBTCO-HDICACEKSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547028 1313473443 /nfs/dbraw/zinc/47/34/43/1313473443.db2.gz BSXVWGBEDIQJIH-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320562 1313468945 /nfs/dbraw/zinc/46/89/45/1313468945.db2.gz QJTKYYPRGMQFBD-OKILXGFUSA-N 2 1 334.261 2.752 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548483 1313474341 /nfs/dbraw/zinc/47/43/41/1313474341.db2.gz PXYXBUBGURWEMC-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913876 1313476243 /nfs/dbraw/zinc/47/62/43/1313476243.db2.gz JJACOIWBSRKABL-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCCCCCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400785 1313476564 /nfs/dbraw/zinc/47/65/64/1313476564.db2.gz ZFBFBLOEMARPAL-UHFFFAOYSA-N 2 1 337.552 2.757 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961184741 1298267230 /nfs/dbraw/zinc/26/72/30/1298267230.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184741 1298267238 /nfs/dbraw/zinc/26/72/38/1298267238.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184741 1298267247 /nfs/dbraw/zinc/26/72/47/1298267247.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188629 1298273020 /nfs/dbraw/zinc/27/30/20/1298273020.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188629 1298273031 /nfs/dbraw/zinc/27/30/31/1298273031.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188629 1298273040 /nfs/dbraw/zinc/27/30/40/1298273040.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c(C#N)c1 ZINC001206631099 1313486656 /nfs/dbraw/zinc/48/66/56/1313486656.db2.gz PDEYBGFKQCSDNW-AWEZNQCLSA-N 2 1 345.472 2.597 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236582552 1313493861 /nfs/dbraw/zinc/49/38/61/1313493861.db2.gz RASOONAPCLHOAR-FHLIZLRMSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236582552 1313493862 /nfs/dbraw/zinc/49/38/62/1313493862.db2.gz RASOONAPCLHOAR-FHLIZLRMSA-N 2 1 349.425 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373576 /nfs/dbraw/zinc/37/35/76/1298373576.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373587 /nfs/dbraw/zinc/37/35/87/1298373587.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373603 /nfs/dbraw/zinc/37/36/03/1298373603.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259618 1298431144 /nfs/dbraw/zinc/43/11/44/1298431144.db2.gz ISFUWHYTDIBVRU-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259104 1298438223 /nfs/dbraw/zinc/43/82/23/1298438223.db2.gz GBVYQYYNVPEIJP-DLBZAZTESA-N 2 1 344.503 2.824 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259104 1298438230 /nfs/dbraw/zinc/43/82/30/1298438230.db2.gz GBVYQYYNVPEIJP-DLBZAZTESA-N 2 1 344.503 2.824 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292980 1298510304 /nfs/dbraw/zinc/51/03/04/1298510304.db2.gz LLJMWWGZDLAFFF-RBUKOAKNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961365489 1298622042 /nfs/dbraw/zinc/62/20/42/1298622042.db2.gz DTNNGDBWZSJPDJ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365489 1298622053 /nfs/dbraw/zinc/62/20/53/1298622053.db2.gz DTNNGDBWZSJPDJ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961365489 1298622064 /nfs/dbraw/zinc/62/20/64/1298622064.db2.gz DTNNGDBWZSJPDJ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961372214 1298633596 /nfs/dbraw/zinc/63/35/96/1298633596.db2.gz JWJGUVREMGITMM-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961372214 1298633612 /nfs/dbraw/zinc/63/36/12/1298633612.db2.gz JWJGUVREMGITMM-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961372214 1298633623 /nfs/dbraw/zinc/63/36/23/1298633623.db2.gz JWJGUVREMGITMM-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961372909 1298635241 /nfs/dbraw/zinc/63/52/41/1298635241.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961372909 1298635258 /nfs/dbraw/zinc/63/52/58/1298635258.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961372909 1298635268 /nfs/dbraw/zinc/63/52/68/1298635268.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961376250 1298644069 /nfs/dbraw/zinc/64/40/69/1298644069.db2.gz RFTVCZNRADCMJT-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961376250 1298644073 /nfs/dbraw/zinc/64/40/73/1298644073.db2.gz RFTVCZNRADCMJT-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961376250 1298644085 /nfs/dbraw/zinc/64/40/85/1298644085.db2.gz RFTVCZNRADCMJT-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961402381 1298694171 /nfs/dbraw/zinc/69/41/71/1298694171.db2.gz RGYYSWSYKMSEBN-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961404134 1298697194 /nfs/dbraw/zinc/69/71/94/1298697194.db2.gz XNZMUJYKAXSIGW-WOJBJXKFSA-N 2 1 347.547 2.547 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702210 /nfs/dbraw/zinc/70/22/10/1298702210.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702218 /nfs/dbraw/zinc/70/22/18/1298702218.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702228 /nfs/dbraw/zinc/70/22/28/1298702228.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708348 /nfs/dbraw/zinc/70/83/48/1298708348.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708358 /nfs/dbraw/zinc/70/83/58/1298708358.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708365 /nfs/dbraw/zinc/70/83/65/1298708365.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432182 1298739376 /nfs/dbraw/zinc/73/93/76/1298739376.db2.gz PAJAMSLGEWDXFK-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)c(F)c2)CC1 ZINC001236939651 1313557741 /nfs/dbraw/zinc/55/77/41/1313557741.db2.gz UAXBORJNHRYXGQ-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC=C)C2)CC1 ZINC001490458393 1298935551 /nfs/dbraw/zinc/93/55/51/1298935551.db2.gz OTCDWCMFWXXIQU-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953609 1313570064 /nfs/dbraw/zinc/57/00/64/1313570064.db2.gz VRFIMQJBPXYDNW-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969803 1313575504 /nfs/dbraw/zinc/57/55/04/1313575504.db2.gz NKVJGQHZXVNMOL-UHFFFAOYSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969803 1313575508 /nfs/dbraw/zinc/57/55/08/1313575508.db2.gz NKVJGQHZXVNMOL-UHFFFAOYSA-N 2 1 349.906 2.699 20 30 EFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111407944 1299123054 /nfs/dbraw/zinc/12/30/54/1299123054.db2.gz AUYHKIDDEPOMQF-KURKYZTESA-N 2 1 332.492 2.883 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111407944 1299123061 /nfs/dbraw/zinc/12/30/61/1299123061.db2.gz AUYHKIDDEPOMQF-KURKYZTESA-N 2 1 332.492 2.883 20 30 EFEDMP C=CCN(CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC001207203520 1313636684 /nfs/dbraw/zinc/63/66/84/1313636684.db2.gz HAZMPANYUZBOMS-UHFFFAOYSA-N 2 1 337.508 2.827 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207480150 1313696237 /nfs/dbraw/zinc/69/62/37/1313696237.db2.gz UZDRWYCTACYMKD-FQEVSTJZSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482569 1313697755 /nfs/dbraw/zinc/69/77/55/1313697755.db2.gz OCNHFVGTAPNBSB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776742051 1300574902 /nfs/dbraw/zinc/57/49/02/1300574902.db2.gz ZFRAORDCDVNCPZ-CABCVRRESA-N 2 1 331.435 2.849 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314265 1300576992 /nfs/dbraw/zinc/57/69/92/1300576992.db2.gz KGHMRRFEPKNNSM-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348612 1300658719 /nfs/dbraw/zinc/65/87/19/1300658719.db2.gz ZOMNVAAKJDOAJW-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348614 1300659332 /nfs/dbraw/zinc/65/93/32/1300659332.db2.gz ZOMNVAAKJDOAJW-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358566 1300680714 /nfs/dbraw/zinc/68/07/14/1300680714.db2.gz UKFQXXJXZCFTHA-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358975 1300682434 /nfs/dbraw/zinc/68/24/34/1300682434.db2.gz ZOFMYQXQMADGCQ-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364389 1300694871 /nfs/dbraw/zinc/69/48/71/1300694871.db2.gz BYGHOSPXUZHCEX-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383997 1300741410 /nfs/dbraw/zinc/74/14/10/1300741410.db2.gz PUNBBDGINUEKMZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389809 1300750976 /nfs/dbraw/zinc/75/09/76/1300750976.db2.gz GUNOABFWFDVJNO-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390198 1300753552 /nfs/dbraw/zinc/75/35/52/1300753552.db2.gz KCCSEXQJQLZNNQ-AEFFLSMTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390198 1300753558 /nfs/dbraw/zinc/75/35/58/1300753558.db2.gz KCCSEXQJQLZNNQ-AEFFLSMTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390204 1300753920 /nfs/dbraw/zinc/75/39/20/1300753920.db2.gz KCCSEXQJQLZNNQ-WMZOPIPTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390204 1300753930 /nfs/dbraw/zinc/75/39/30/1300753930.db2.gz KCCSEXQJQLZNNQ-WMZOPIPTSA-N 2 1 342.487 2.650 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429141 1300834652 /nfs/dbraw/zinc/83/46/52/1300834652.db2.gz OOINNFYIRYFHQA-WOJBJXKFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000963808455 1301334523 /nfs/dbraw/zinc/33/45/23/1301334523.db2.gz HQBCBDIXQGVTLF-GUYFDXGHSA-N 2 1 345.531 2.844 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927244 1301485111 /nfs/dbraw/zinc/48/51/11/1301485111.db2.gz OQAVJVXYWGEZAL-LMBQMVEXSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927243 1301485265 /nfs/dbraw/zinc/48/52/65/1301485265.db2.gz OQAVJVXYWGEZAL-HVEGKCCWSA-N 2 1 339.911 2.630 20 30 EFEDMP Cn1cc(CN2CC[C@]3(C2)CCC[N@@H+](CCCCF)C3)cc1C#N ZINC001278205411 1313786666 /nfs/dbraw/zinc/78/66/66/1313786666.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 1 332.467 2.934 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964643324 1302122784 /nfs/dbraw/zinc/12/27/84/1302122784.db2.gz JAKOOQYVFZFAQL-HNSLBZJHSA-N 2 1 345.531 2.987 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964645669 1302127022 /nfs/dbraw/zinc/12/70/22/1302127022.db2.gz YOAJLLJURWLALF-UFQJCFOOSA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073236 1313840155 /nfs/dbraw/zinc/84/01/55/1313840155.db2.gz FTRJNTUYJXKPQG-IAGOWNOFSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073445 1313840877 /nfs/dbraw/zinc/84/08/77/1313840877.db2.gz JZXUZQMMDDVKOT-IRXDYDNUSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208106269 1313847953 /nfs/dbraw/zinc/84/79/53/1313847953.db2.gz ASZZNMMJYMXBMD-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1(C)CC[NH+](C)CC1)CCO2 ZINC001208107121 1313848216 /nfs/dbraw/zinc/84/82/16/1313848216.db2.gz KLTIJQVDKNZISY-AZUAARDMSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208186784 1313864268 /nfs/dbraw/zinc/86/42/68/1313864268.db2.gz YDIABTVQVHSSQP-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208186785 1313864677 /nfs/dbraw/zinc/86/46/77/1313864677.db2.gz YDIABTVQVHSSQP-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331038 1313901443 /nfs/dbraw/zinc/90/14/43/1313901443.db2.gz JSCPRKPGTUEFIY-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219249 1313914945 /nfs/dbraw/zinc/91/49/45/1313914945.db2.gz YFOYTXIBSHJJER-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219249 1313914946 /nfs/dbraw/zinc/91/49/46/1313914946.db2.gz YFOYTXIBSHJJER-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219249 1313914949 /nfs/dbraw/zinc/91/49/49/1313914949.db2.gz YFOYTXIBSHJJER-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=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 ZINC001097220629 1313915179 /nfs/dbraw/zinc/91/51/79/1313915179.db2.gz WLKUNTIDYMFWKO-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP C=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 ZINC001097220629 1313915181 /nfs/dbraw/zinc/91/51/81/1313915181.db2.gz WLKUNTIDYMFWKO-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP C=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 ZINC001097220629 1313915185 /nfs/dbraw/zinc/91/51/85/1313915185.db2.gz WLKUNTIDYMFWKO-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP CCCCCCCCCCCCNC(=S)NCC[NH2+]CC[NH3+] ZINC001239389525 1313931993 /nfs/dbraw/zinc/93/19/93/1313931993.db2.gz YBUIFEHVZPIGAM-UHFFFAOYSA-N 2 1 330.586 2.920 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576882 1313966740 /nfs/dbraw/zinc/96/67/40/1313966740.db2.gz RZDJIHCRFUBBKG-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904506 1304419755 /nfs/dbraw/zinc/41/97/55/1304419755.db2.gz QEDVUDKECPVQFX-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904507 1304419832 /nfs/dbraw/zinc/41/98/32/1304419832.db2.gz QEDVUDKECPVQFX-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264990 1304776318 /nfs/dbraw/zinc/77/63/18/1304776318.db2.gz RQLLMORHCFPPNX-MAUKXSAKSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208760166 1314010403 /nfs/dbraw/zinc/01/04/03/1314010403.db2.gz XJZYUVKJOBGZNC-MRXNPFEDSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037927008 1304817695 /nfs/dbraw/zinc/81/76/95/1304817695.db2.gz PIUYXYDMCYVDLW-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934644 1304917520 /nfs/dbraw/zinc/91/75/20/1304917520.db2.gz NPRWUBUVVKNDFL-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425220 1304978640 /nfs/dbraw/zinc/97/86/40/1304978640.db2.gz YOPMAZXWBFWMCE-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903935 1305010239 /nfs/dbraw/zinc/01/02/39/1305010239.db2.gz LLMZIXLAYWFFHR-DZFIZOCASA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903935 1305010247 /nfs/dbraw/zinc/01/02/47/1305010247.db2.gz LLMZIXLAYWFFHR-DZFIZOCASA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725428 1305367216 /nfs/dbraw/zinc/36/72/16/1305367216.db2.gz SCIWNSLESBWUNB-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(=O)OCC ZINC001209020290 1314071866 /nfs/dbraw/zinc/07/18/66/1314071866.db2.gz FXYCUHWZCAICCC-ZWKOTPCHSA-N 2 1 337.508 2.970 20 30 EFEDMP C=CCN(CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C(=O)OCC ZINC001209020290 1314071867 /nfs/dbraw/zinc/07/18/67/1314071867.db2.gz FXYCUHWZCAICCC-ZWKOTPCHSA-N 2 1 337.508 2.970 20 30 EFEDMP C=CCN(CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C(=O)OCC ZINC001209020290 1314071869 /nfs/dbraw/zinc/07/18/69/1314071869.db2.gz FXYCUHWZCAICCC-ZWKOTPCHSA-N 2 1 337.508 2.970 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001246305143 1314608520 /nfs/dbraw/zinc/60/85/20/1314608520.db2.gz GWZXVORKFIUWCR-IHRRRGAJSA-N 2 1 336.398 2.924 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327804 1306137802 /nfs/dbraw/zinc/13/78/02/1306137802.db2.gz SJMIWHVUKPYYTG-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525367 1306430947 /nfs/dbraw/zinc/43/09/47/1306430947.db2.gz QGCKNFMVBGVJTQ-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681096 1306562916 /nfs/dbraw/zinc/56/29/16/1306562916.db2.gz GRTNYVYBJUKNDI-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687434 1306568277 /nfs/dbraw/zinc/56/82/77/1306568277.db2.gz AZEALYXZKSTFRU-SJLPKXTDSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687434 1306568278 /nfs/dbraw/zinc/56/82/78/1306568278.db2.gz AZEALYXZKSTFRU-SJLPKXTDSA-N 2 1 345.487 2.585 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114926998 1306717509 /nfs/dbraw/zinc/71/75/09/1306717509.db2.gz GCBABZOFHOIPMU-RUYXUALKSA-N 2 1 335.536 2.735 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860052 1306731002 /nfs/dbraw/zinc/73/10/02/1306731002.db2.gz XIQTVVMCMGRPHG-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882309 1306754336 /nfs/dbraw/zinc/75/43/36/1306754336.db2.gz LJBGKCRBCPIQAJ-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887383 1306760387 /nfs/dbraw/zinc/76/03/87/1306760387.db2.gz CBHMJSWLDVDBEP-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887383 1306760393 /nfs/dbraw/zinc/76/03/93/1306760393.db2.gz CBHMJSWLDVDBEP-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887383 1306760397 /nfs/dbraw/zinc/76/03/97/1306760397.db2.gz CBHMJSWLDVDBEP-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887863 1306761221 /nfs/dbraw/zinc/76/12/21/1306761221.db2.gz NZPRWNGKMXDYBL-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888746 1306763419 /nfs/dbraw/zinc/76/34/19/1306763419.db2.gz ZACCGSLFZFAIBH-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888746 1306763423 /nfs/dbraw/zinc/76/34/23/1306763423.db2.gz ZACCGSLFZFAIBH-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888746 1306763429 /nfs/dbraw/zinc/76/34/29/1306763429.db2.gz ZACCGSLFZFAIBH-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044761616 1306781310 /nfs/dbraw/zinc/78/13/10/1306781310.db2.gz XPKOOGHKBRVDQD-HUUCEWRRSA-N 2 1 338.883 2.728 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936703 1306816548 /nfs/dbraw/zinc/81/65/48/1306816548.db2.gz OGQQHJPKQDEULT-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058815 1306932087 /nfs/dbraw/zinc/93/20/87/1306932087.db2.gz AHIXHADOOGRINL-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969058815 1306932092 /nfs/dbraw/zinc/93/20/92/1306932092.db2.gz AHIXHADOOGRINL-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969058815 1306932097 /nfs/dbraw/zinc/93/20/97/1306932097.db2.gz AHIXHADOOGRINL-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241899528 1314162460 /nfs/dbraw/zinc/16/24/60/1314162460.db2.gz HQPJMYZZAIJEFZ-FQEVSTJZSA-N 2 1 349.482 2.876 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020705 1307266462 /nfs/dbraw/zinc/26/64/62/1307266462.db2.gz QEPDLJNVBHSKHB-AABGKKOBSA-N 2 1 341.499 2.702 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437994 1307338346 /nfs/dbraw/zinc/33/83/46/1307338346.db2.gz IJEPDBOXYSWYQR-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461818 1307356133 /nfs/dbraw/zinc/35/61/33/1307356133.db2.gz PAGSQXHGHOUFHP-INIZCTEOSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345491 1307381974 /nfs/dbraw/zinc/38/19/74/1307381974.db2.gz RHLAACIBGDFQMS-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007345491 1307381978 /nfs/dbraw/zinc/38/19/78/1307381978.db2.gz RHLAACIBGDFQMS-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007345491 1307381983 /nfs/dbraw/zinc/38/19/83/1307381983.db2.gz RHLAACIBGDFQMS-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585462 1307449373 /nfs/dbraw/zinc/44/93/73/1307449373.db2.gz QTYPUBFWCUNELJ-HOTGVXAUSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585462 1307449374 /nfs/dbraw/zinc/44/93/74/1307449374.db2.gz QTYPUBFWCUNELJ-HOTGVXAUSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620494 1307478484 /nfs/dbraw/zinc/47/84/84/1307478484.db2.gz RVMASKGXMPEOSK-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640407 1314206470 /nfs/dbraw/zinc/20/64/70/1314206470.db2.gz BXXFSUACQFIEPF-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065302 1307793386 /nfs/dbraw/zinc/79/33/86/1307793386.db2.gz HYZINIJCTGVDKS-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939043 1307942212 /nfs/dbraw/zinc/94/22/12/1307942212.db2.gz SXOLLDHGTVEJNJ-SFHLNBCPSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939043 1307942215 /nfs/dbraw/zinc/94/22/15/1307942215.db2.gz SXOLLDHGTVEJNJ-SFHLNBCPSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939043 1307942219 /nfs/dbraw/zinc/94/22/19/1307942219.db2.gz SXOLLDHGTVEJNJ-SFHLNBCPSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938831 1307942317 /nfs/dbraw/zinc/94/23/17/1307942317.db2.gz MCFBYPDSKJCTPC-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938831 1307942322 /nfs/dbraw/zinc/94/23/22/1307942322.db2.gz MCFBYPDSKJCTPC-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938831 1307942328 /nfs/dbraw/zinc/94/23/28/1307942328.db2.gz MCFBYPDSKJCTPC-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045942465 1307954147 /nfs/dbraw/zinc/95/41/47/1307954147.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942465 1307954152 /nfs/dbraw/zinc/95/41/52/1307954152.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942465 1307954156 /nfs/dbraw/zinc/95/41/56/1307954156.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942717 1307955033 /nfs/dbraw/zinc/95/50/33/1307955033.db2.gz XVGFEMLRTYCYRA-PZJWPPBQSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942716 1307955682 /nfs/dbraw/zinc/95/56/82/1307955682.db2.gz XVGFEMLRTYCYRA-FPOVZHCZSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943892 1307959261 /nfs/dbraw/zinc/95/92/61/1307959261.db2.gz QVNYANRVSNOEJN-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945725 1307965413 /nfs/dbraw/zinc/96/54/13/1307965413.db2.gz YEOALKYVRNNVIY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945725 1307965416 /nfs/dbraw/zinc/96/54/16/1307965416.db2.gz YEOALKYVRNNVIY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945725 1307965418 /nfs/dbraw/zinc/96/54/18/1307965418.db2.gz YEOALKYVRNNVIY-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945723 1307965425 /nfs/dbraw/zinc/96/54/25/1307965425.db2.gz YDUZJHGHHOSHRA-ICSRJNTNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950513 1307979449 /nfs/dbraw/zinc/97/94/49/1307979449.db2.gz DRMMVKOROXNABN-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951062 1307980673 /nfs/dbraw/zinc/98/06/73/1307980673.db2.gz SPFQWHXCSHVVOR-HXUWFJFHSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953329 1307987201 /nfs/dbraw/zinc/98/72/01/1307987201.db2.gz YENGFOLUWHUPGM-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962716 1308013162 /nfs/dbraw/zinc/01/31/62/1308013162.db2.gz QTENFPGZUAXIOV-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965047 1308018000 /nfs/dbraw/zinc/01/80/00/1308018000.db2.gz BRONPGHNGMABIL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965047 1308018005 /nfs/dbraw/zinc/01/80/05/1308018005.db2.gz BRONPGHNGMABIL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965047 1308018009 /nfs/dbraw/zinc/01/80/09/1308018009.db2.gz BRONPGHNGMABIL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966392 1308022926 /nfs/dbraw/zinc/02/29/26/1308022926.db2.gz VGJQSUIENDUKKY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966392 1308022929 /nfs/dbraw/zinc/02/29/29/1308022929.db2.gz VGJQSUIENDUKKY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966392 1308022934 /nfs/dbraw/zinc/02/29/34/1308022934.db2.gz VGJQSUIENDUKKY-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045968371 1308028396 /nfs/dbraw/zinc/02/83/96/1308028396.db2.gz AHVWIGNYSVQQFJ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045968371 1308028399 /nfs/dbraw/zinc/02/83/99/1308028399.db2.gz AHVWIGNYSVQQFJ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970212 1308034755 /nfs/dbraw/zinc/03/47/55/1308034755.db2.gz CSNJENXVLXIORF-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045979520 1308062836 /nfs/dbraw/zinc/06/28/36/1308062836.db2.gz GVLXJEHUAQVSNE-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045979520 1308062838 /nfs/dbraw/zinc/06/28/38/1308062838.db2.gz GVLXJEHUAQVSNE-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980096 1308065576 /nfs/dbraw/zinc/06/55/76/1308065576.db2.gz QSMZXWIUNZLJQP-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980096 1308065579 /nfs/dbraw/zinc/06/55/79/1308065579.db2.gz QSMZXWIUNZLJQP-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980096 1308065581 /nfs/dbraw/zinc/06/55/81/1308065581.db2.gz QSMZXWIUNZLJQP-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045981795 1308072004 /nfs/dbraw/zinc/07/20/04/1308072004.db2.gz GIMQAKFKGGSTRW-FQEVSTJZSA-N 2 1 344.503 2.931 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045985953 1308086127 /nfs/dbraw/zinc/08/61/27/1308086127.db2.gz FLZTYJRTIOEKAC-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045985953 1308086133 /nfs/dbraw/zinc/08/61/33/1308086133.db2.gz FLZTYJRTIOEKAC-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045985953 1308086137 /nfs/dbraw/zinc/08/61/37/1308086137.db2.gz FLZTYJRTIOEKAC-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986431 1308086408 /nfs/dbraw/zinc/08/64/08/1308086408.db2.gz QPVFMGMHEZWJHE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986431 1308086413 /nfs/dbraw/zinc/08/64/13/1308086413.db2.gz QPVFMGMHEZWJHE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986431 1308086420 /nfs/dbraw/zinc/08/64/20/1308086420.db2.gz QPVFMGMHEZWJHE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319509 1308536954 /nfs/dbraw/zinc/53/69/54/1308536954.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319509 1308536958 /nfs/dbraw/zinc/53/69/58/1308536958.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319509 1308536960 /nfs/dbraw/zinc/53/69/60/1308536960.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931822 1314260972 /nfs/dbraw/zinc/26/09/72/1314260972.db2.gz MEPUJNJJINTXBX-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619692 1308940688 /nfs/dbraw/zinc/94/06/88/1308940688.db2.gz YPSPGXUAMKBXDB-HXUWFJFHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701374 1314310744 /nfs/dbraw/zinc/31/07/44/1314310744.db2.gz FCLQZHFENHKVEX-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701374 1314310747 /nfs/dbraw/zinc/31/07/47/1314310747.db2.gz FCLQZHFENHKVEX-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701374 1314310750 /nfs/dbraw/zinc/31/07/50/1314310750.db2.gz FCLQZHFENHKVEX-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708490 1314314614 /nfs/dbraw/zinc/31/46/14/1314314614.db2.gz BNZROORUYJIIQV-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046938098 1309717663 /nfs/dbraw/zinc/71/76/63/1309717663.db2.gz OKYXADSFBCYTSE-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046938098 1309717671 /nfs/dbraw/zinc/71/76/71/1309717671.db2.gz OKYXADSFBCYTSE-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046938098 1309717677 /nfs/dbraw/zinc/71/76/77/1309717677.db2.gz OKYXADSFBCYTSE-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046944147 1309732588 /nfs/dbraw/zinc/73/25/88/1309732588.db2.gz GHIRWGBOIDUHLN-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046944147 1309732593 /nfs/dbraw/zinc/73/25/93/1309732593.db2.gz GHIRWGBOIDUHLN-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001046977834 1309825082 /nfs/dbraw/zinc/82/50/82/1309825082.db2.gz MRVFJKGZQQLLIK-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977834 1309825093 /nfs/dbraw/zinc/82/50/93/1309825093.db2.gz MRVFJKGZQQLLIK-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977834 1309825108 /nfs/dbraw/zinc/82/51/08/1309825108.db2.gz MRVFJKGZQQLLIK-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046995365 1309881781 /nfs/dbraw/zinc/88/17/81/1309881781.db2.gz OQWJOUBXGWZTSK-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046995365 1309881791 /nfs/dbraw/zinc/88/17/91/1309881791.db2.gz OQWJOUBXGWZTSK-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046995365 1309881799 /nfs/dbraw/zinc/88/17/99/1309881799.db2.gz OQWJOUBXGWZTSK-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763683 1314357791 /nfs/dbraw/zinc/35/77/91/1314357791.db2.gz IXAAPHUBHRUURV-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633433 1314364526 /nfs/dbraw/zinc/36/45/26/1314364526.db2.gz CAPKOFKERMNXTR-RTBURBONSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225408 1310351376 /nfs/dbraw/zinc/35/13/76/1310351376.db2.gz DIQLOBUXPQPSFV-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047241080 1310390909 /nfs/dbraw/zinc/39/09/09/1310390909.db2.gz KOVLONYJUMJDSK-MISYRCLQSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047241416 1310392107 /nfs/dbraw/zinc/39/21/07/1310392107.db2.gz CCTNWMOCJZXRFT-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245141 1310403220 /nfs/dbraw/zinc/40/32/20/1310403220.db2.gz XTSOWSCFQUZRJM-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047254430 1310425837 /nfs/dbraw/zinc/42/58/37/1310425837.db2.gz PKTAEDHOEQDXER-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256813 1310432464 /nfs/dbraw/zinc/43/24/64/1310432464.db2.gz OCSGCAXJMLLAOZ-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001047264587 1310454498 /nfs/dbraw/zinc/45/44/98/1310454498.db2.gz PQTNJDAXHKVVTK-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266216 1310460590 /nfs/dbraw/zinc/46/05/90/1310460590.db2.gz TUCWCMIHYDVHSR-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632637 1314404055 /nfs/dbraw/zinc/40/40/55/1314404055.db2.gz TZTSNDXLACNKPJ-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663806 1311009452 /nfs/dbraw/zinc/00/94/52/1311009452.db2.gz ORNMUICQESKASY-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730439 1311020371 /nfs/dbraw/zinc/02/03/71/1311020371.db2.gz HSGIEJKKAMUSIX-RCCFBDPRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765470 1311028172 /nfs/dbraw/zinc/02/81/72/1311028172.db2.gz HBJLIRWHRCSIHP-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765470 1311028174 /nfs/dbraw/zinc/02/81/74/1311028174.db2.gz HBJLIRWHRCSIHP-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765470 1311028177 /nfs/dbraw/zinc/02/81/77/1311028177.db2.gz HBJLIRWHRCSIHP-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817585 1311037299 /nfs/dbraw/zinc/03/72/99/1311037299.db2.gz ZBXRMFMMNRFKAS-RCCFBDPRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817585 1311037300 /nfs/dbraw/zinc/03/73/00/1311037300.db2.gz ZBXRMFMMNRFKAS-RCCFBDPRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817585 1311037303 /nfs/dbraw/zinc/03/73/03/1311037303.db2.gz ZBXRMFMMNRFKAS-RCCFBDPRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815111 1311037345 /nfs/dbraw/zinc/03/73/45/1311037345.db2.gz UVLHMUVSADJLND-KZNAEPCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815111 1311037348 /nfs/dbraw/zinc/03/73/48/1311037348.db2.gz UVLHMUVSADJLND-KZNAEPCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815111 1311037350 /nfs/dbraw/zinc/03/73/50/1311037350.db2.gz UVLHMUVSADJLND-KZNAEPCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815112 1311037925 /nfs/dbraw/zinc/03/79/25/1311037925.db2.gz UVLHMUVSADJLND-RCCFBDPRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815112 1311037927 /nfs/dbraw/zinc/03/79/27/1311037927.db2.gz UVLHMUVSADJLND-RCCFBDPRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815112 1311037929 /nfs/dbraw/zinc/03/79/29/1311037929.db2.gz UVLHMUVSADJLND-RCCFBDPRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848720 1311042536 /nfs/dbraw/zinc/04/25/36/1311042536.db2.gz CCSDLTPZACHXBR-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945205 1311058749 /nfs/dbraw/zinc/05/87/49/1311058749.db2.gz ISYJEJXHRDFBNP-IPMKNSEASA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945205 1311058751 /nfs/dbraw/zinc/05/87/51/1311058751.db2.gz ISYJEJXHRDFBNP-IPMKNSEASA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945205 1311058754 /nfs/dbraw/zinc/05/87/54/1311058754.db2.gz ISYJEJXHRDFBNP-IPMKNSEASA-N 2 1 335.536 2.831 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466212 1311066662 /nfs/dbraw/zinc/06/66/62/1311066662.db2.gz MQRVMSQNVJHNET-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466212 1311066666 /nfs/dbraw/zinc/06/66/66/1311066666.db2.gz MQRVMSQNVJHNET-ZRNYENFQSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466211 1311066703 /nfs/dbraw/zinc/06/67/03/1311066703.db2.gz MQRVMSQNVJHNET-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466211 1311066707 /nfs/dbraw/zinc/06/67/07/1311066707.db2.gz MQRVMSQNVJHNET-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045282 1311073356 /nfs/dbraw/zinc/07/33/56/1311073356.db2.gz GNDSDBAVCSGKOE-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046526 1311073720 /nfs/dbraw/zinc/07/37/20/1311073720.db2.gz JAKGSDQCARVJPC-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092612 1311083380 /nfs/dbraw/zinc/08/33/80/1311083380.db2.gz UDZDROPBQYKUMY-LJQANCHMSA-N 2 1 329.488 2.665 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092612 1311083382 /nfs/dbraw/zinc/08/33/82/1311083382.db2.gz UDZDROPBQYKUMY-LJQANCHMSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547363 1311101006 /nfs/dbraw/zinc/10/10/06/1311101006.db2.gz DLXXOOPAUWBPFN-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547215 1311101099 /nfs/dbraw/zinc/10/10/99/1311101099.db2.gz BBHVCOQSDQXVST-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547215 1311101101 /nfs/dbraw/zinc/10/11/01/1311101101.db2.gz BBHVCOQSDQXVST-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547215 1311101103 /nfs/dbraw/zinc/10/11/03/1311101103.db2.gz BBHVCOQSDQXVST-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551662 1311249312 /nfs/dbraw/zinc/24/93/12/1311249312.db2.gz VKRRYCOHNTUXQF-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101589292 1311251677 /nfs/dbraw/zinc/25/16/77/1311251677.db2.gz GJQLSMQTFQFNAI-KRWDZBQOSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102112896 1311283887 /nfs/dbraw/zinc/28/38/87/1311283887.db2.gz LNYVDBLBFUTMRB-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112896 1311283890 /nfs/dbraw/zinc/28/38/90/1311283890.db2.gz LNYVDBLBFUTMRB-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112896 1311283894 /nfs/dbraw/zinc/28/38/94/1311283894.db2.gz LNYVDBLBFUTMRB-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157373 1311288524 /nfs/dbraw/zinc/28/85/24/1311288524.db2.gz GQSYMCQYZFYBRP-SJLPKXTDSA-N 2 1 334.508 2.846 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157373 1311288528 /nfs/dbraw/zinc/28/85/28/1311288528.db2.gz GQSYMCQYZFYBRP-SJLPKXTDSA-N 2 1 334.508 2.846 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691089 1311292656 /nfs/dbraw/zinc/29/26/56/1311292656.db2.gz TVMOVHNIXUVOHC-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691089 1311292658 /nfs/dbraw/zinc/29/26/58/1311292658.db2.gz TVMOVHNIXUVOHC-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223705152 1311294821 /nfs/dbraw/zinc/29/48/21/1311294821.db2.gz BFGSMIFMOPUKFH-CEXWTWQISA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223837552 1311310097 /nfs/dbraw/zinc/31/00/97/1311310097.db2.gz UTKKNNJXZIOHCF-UHFFFAOYSA-N 2 1 344.503 2.556 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912757 1311320397 /nfs/dbraw/zinc/32/03/97/1311320397.db2.gz ZOOVSYBFEWMNRZ-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912757 1311320400 /nfs/dbraw/zinc/32/04/00/1311320400.db2.gz ZOOVSYBFEWMNRZ-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912757 1311320404 /nfs/dbraw/zinc/32/04/04/1311320404.db2.gz ZOOVSYBFEWMNRZ-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224228174 1311363254 /nfs/dbraw/zinc/36/32/54/1311363254.db2.gz VZUJHWUNOXFJED-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724020 1311373787 /nfs/dbraw/zinc/37/37/87/1311373787.db2.gz VHZTZUNYKXOKJZ-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224476673 1311396276 /nfs/dbraw/zinc/39/62/76/1311396276.db2.gz JCHZDYXJENHPLZ-INIZCTEOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001224545562 1311404759 /nfs/dbraw/zinc/40/47/59/1311404759.db2.gz AOKFWAFMKGLLBG-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546290 1311405377 /nfs/dbraw/zinc/40/53/77/1311405377.db2.gz JCIMQHZYXFKHHQ-PKOBYXMFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866162 1311405551 /nfs/dbraw/zinc/40/55/51/1311405551.db2.gz MKINQIVZLCHDES-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866162 1311405552 /nfs/dbraw/zinc/40/55/52/1311405552.db2.gz MKINQIVZLCHDES-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866162 1311405554 /nfs/dbraw/zinc/40/55/54/1311405554.db2.gz MKINQIVZLCHDES-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224560593 1311407644 /nfs/dbraw/zinc/40/76/44/1311407644.db2.gz WMJGPBMVOKRIHF-IBGZPJMESA-N 2 1 339.499 2.603 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)C[C@H](C)CC)CC1 ZINC001158914687 1311415850 /nfs/dbraw/zinc/41/58/50/1311415850.db2.gz RZUBEZVVLMKBLW-UYAOXDASSA-N 2 1 347.547 2.691 20 30 EFEDMP C[N+](C)(C)C[C@@H](CC#N)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829593 1311440204 /nfs/dbraw/zinc/44/02/04/1311440204.db2.gz LBAJRGPAWISFKX-WOJBJXKFSA-N 2 1 330.496 2.904 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225463511 1311527379 /nfs/dbraw/zinc/52/73/79/1311527379.db2.gz HDROTFKNWZWNDQ-UHFFFAOYSA-N 2 1 341.927 2.833 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225653353 1311560123 /nfs/dbraw/zinc/56/01/23/1311560123.db2.gz UOUPDQWCDJCUDY-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225653353 1311560126 /nfs/dbraw/zinc/56/01/26/1311560126.db2.gz UOUPDQWCDJCUDY-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313909 1311613707 /nfs/dbraw/zinc/61/37/07/1311613707.db2.gz RBFZWMABBXSRIA-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313909 1311613709 /nfs/dbraw/zinc/61/37/09/1311613709.db2.gz RBFZWMABBXSRIA-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313909 1311613713 /nfs/dbraw/zinc/61/37/13/1311613713.db2.gz RBFZWMABBXSRIA-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160130974 1311650054 /nfs/dbraw/zinc/65/00/54/1311650054.db2.gz AVBJWFYFKQZDBF-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160130974 1311650058 /nfs/dbraw/zinc/65/00/58/1311650058.db2.gz AVBJWFYFKQZDBF-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160130974 1311650062 /nfs/dbraw/zinc/65/00/62/1311650062.db2.gz AVBJWFYFKQZDBF-VQTJNVASSA-N 2 1 345.531 2.965 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169218 1311658840 /nfs/dbraw/zinc/65/88/40/1311658840.db2.gz LSOUYFSXYMRUBM-QGZVFWFLSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169218 1311658841 /nfs/dbraw/zinc/65/88/41/1311658841.db2.gz LSOUYFSXYMRUBM-QGZVFWFLSA-N 2 1 342.487 2.558 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175470 1311660010 /nfs/dbraw/zinc/66/00/10/1311660010.db2.gz SZYMWPNDTKHJKF-ZHALLVOQSA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175470 1311660013 /nfs/dbraw/zinc/66/00/13/1311660013.db2.gz SZYMWPNDTKHJKF-ZHALLVOQSA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175470 1311660017 /nfs/dbraw/zinc/66/00/17/1311660017.db2.gz SZYMWPNDTKHJKF-ZHALLVOQSA-N 2 1 333.520 2.820 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001160209868 1311665537 /nfs/dbraw/zinc/66/55/37/1311665537.db2.gz ZOLYHSKEMSPINH-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001160209868 1311665541 /nfs/dbraw/zinc/66/55/41/1311665541.db2.gz ZOLYHSKEMSPINH-YJBOKZPZSA-N 2 1 347.890 2.595 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360682 1311697399 /nfs/dbraw/zinc/69/73/99/1311697399.db2.gz URYUJZKNNSSNCZ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360682 1311697401 /nfs/dbraw/zinc/69/74/01/1311697401.db2.gz URYUJZKNNSSNCZ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360682 1311697403 /nfs/dbraw/zinc/69/74/03/1311697403.db2.gz URYUJZKNNSSNCZ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379161 1311700125 /nfs/dbraw/zinc/70/01/25/1311700125.db2.gz CZMJFPFPVJZQEI-QGZVFWFLSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379161 1311700129 /nfs/dbraw/zinc/70/01/29/1311700129.db2.gz CZMJFPFPVJZQEI-QGZVFWFLSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379161 1311700131 /nfs/dbraw/zinc/70/01/31/1311700131.db2.gz CZMJFPFPVJZQEI-QGZVFWFLSA-N 2 1 333.520 2.964 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001160386231 1311701454 /nfs/dbraw/zinc/70/14/54/1311701454.db2.gz OKTQFDFYQJZOSO-ICSRJNTNSA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H](C)CCC=C)CC1 ZINC001160386231 1311701457 /nfs/dbraw/zinc/70/14/57/1311701457.db2.gz OKTQFDFYQJZOSO-ICSRJNTNSA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001160386231 1311701461 /nfs/dbraw/zinc/70/14/61/1311701461.db2.gz OKTQFDFYQJZOSO-ICSRJNTNSA-N 2 1 343.515 2.577 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001160386231 1311701463 /nfs/dbraw/zinc/70/14/63/1311701463.db2.gz OKTQFDFYQJZOSO-ICSRJNTNSA-N 2 1 343.515 2.577 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400223 1311703541 /nfs/dbraw/zinc/70/35/41/1311703541.db2.gz LZJYOFGJQDKQGV-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400223 1311703542 /nfs/dbraw/zinc/70/35/42/1311703542.db2.gz LZJYOFGJQDKQGV-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400223 1311703544 /nfs/dbraw/zinc/70/35/44/1311703544.db2.gz LZJYOFGJQDKQGV-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400223 1311703546 /nfs/dbraw/zinc/70/35/46/1311703546.db2.gz LZJYOFGJQDKQGV-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277150586 1311712890 /nfs/dbraw/zinc/71/28/90/1311712890.db2.gz BBAGYUFEQSEYRD-YLJYHZDGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001160529166 1311729749 /nfs/dbraw/zinc/72/97/49/1311729749.db2.gz DUERRSAHJMBNQU-GOSISDBHSA-N 2 1 342.487 2.550 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001160529167 1311729998 /nfs/dbraw/zinc/72/99/98/1311729998.db2.gz DUERRSAHJMBNQU-SFHVURJKSA-N 2 1 342.487 2.550 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559375 1311736540 /nfs/dbraw/zinc/73/65/40/1311736540.db2.gz HIKAVVHUSZEODK-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559375 1311736544 /nfs/dbraw/zinc/73/65/44/1311736544.db2.gz HIKAVVHUSZEODK-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559375 1311736545 /nfs/dbraw/zinc/73/65/45/1311736545.db2.gz HIKAVVHUSZEODK-UHFFFAOYSA-N 2 1 345.531 2.801 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNc1cc2[nH]cc(C(=O)OCC)c2c[nH+]1 ZINC001160953894 1311820434 /nfs/dbraw/zinc/82/04/34/1311820434.db2.gz LGYQAOAFVMJIPL-ZDUSSCGKSA-N 2 1 328.416 2.802 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc2[nH]cc(C(=O)OCC)c2c[nH+]1 ZINC001160953894 1311820437 /nfs/dbraw/zinc/82/04/37/1311820437.db2.gz LGYQAOAFVMJIPL-ZDUSSCGKSA-N 2 1 328.416 2.802 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008444 1311835641 /nfs/dbraw/zinc/83/56/41/1311835641.db2.gz OFAXWVVJMAAUCO-RDJZCZTQSA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008444 1311835644 /nfs/dbraw/zinc/83/56/44/1311835644.db2.gz OFAXWVVJMAAUCO-RDJZCZTQSA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008444 1311835646 /nfs/dbraw/zinc/83/56/46/1311835646.db2.gz OFAXWVVJMAAUCO-RDJZCZTQSA-N 2 1 339.911 2.608 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008444 1311835648 /nfs/dbraw/zinc/83/56/48/1311835648.db2.gz OFAXWVVJMAAUCO-RDJZCZTQSA-N 2 1 339.911 2.608 20 30 EFEDMP CCc1cc(C#N)ccc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277239771 1311854056 /nfs/dbraw/zinc/85/40/56/1311854056.db2.gz XDMZQUJITXODPM-UHFFFAOYSA-N 2 1 340.515 2.580 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791766 1311856145 /nfs/dbraw/zinc/85/61/45/1311856145.db2.gz GFSSZLNPJDIYES-WBVHZDCISA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525045 1311860261 /nfs/dbraw/zinc/86/02/61/1311860261.db2.gz ICVHYMYQMLEIDQ-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525045 1311860264 /nfs/dbraw/zinc/86/02/64/1311860264.db2.gz ICVHYMYQMLEIDQ-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525045 1311860267 /nfs/dbraw/zinc/86/02/67/1311860267.db2.gz ICVHYMYQMLEIDQ-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527787 1311863867 /nfs/dbraw/zinc/86/38/67/1311863867.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527787 1311863873 /nfs/dbraw/zinc/86/38/73/1311863873.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527787 1311863876 /nfs/dbraw/zinc/86/38/76/1311863876.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529568 1311866969 /nfs/dbraw/zinc/86/69/69/1311866969.db2.gz RCCCCQSUFFYINI-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529568 1311866973 /nfs/dbraw/zinc/86/69/73/1311866973.db2.gz RCCCCQSUFFYINI-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529568 1311866976 /nfs/dbraw/zinc/86/69/76/1311866976.db2.gz RCCCCQSUFFYINI-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391494 1311877779 /nfs/dbraw/zinc/87/77/79/1311877779.db2.gz SCEAGFDEQSYQFX-UHFFFAOYSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444255 1311891139 /nfs/dbraw/zinc/89/11/39/1311891139.db2.gz AODRMYNOSGPCSO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444255 1311891142 /nfs/dbraw/zinc/89/11/42/1311891142.db2.gz AODRMYNOSGPCSO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444255 1311891144 /nfs/dbraw/zinc/89/11/44/1311891144.db2.gz AODRMYNOSGPCSO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465351 1311895184 /nfs/dbraw/zinc/89/51/84/1311895184.db2.gz JYFAKXAFBIWBBH-UHFFFAOYSA-N 2 1 330.476 2.686 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465351 1311895187 /nfs/dbraw/zinc/89/51/87/1311895187.db2.gz JYFAKXAFBIWBBH-UHFFFAOYSA-N 2 1 330.476 2.686 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556492 1311900671 /nfs/dbraw/zinc/90/06/71/1311900671.db2.gz JBQJCYICOWKWFB-VBUUOAMHSA-N 2 1 345.487 2.890 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574178 1311922042 /nfs/dbraw/zinc/92/20/42/1311922042.db2.gz RPZWCBLTWDWTFW-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574178 1311922046 /nfs/dbraw/zinc/92/20/46/1311922046.db2.gz RPZWCBLTWDWTFW-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574178 1311922049 /nfs/dbraw/zinc/92/20/49/1311922049.db2.gz RPZWCBLTWDWTFW-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001048581709 1311930923 /nfs/dbraw/zinc/93/09/23/1311930923.db2.gz NROUFXBGOZVJJT-FNLKRUPLSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048589967 1311940902 /nfs/dbraw/zinc/94/09/02/1311940902.db2.gz FIHLFNSBAMPJHV-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589967 1311940906 /nfs/dbraw/zinc/94/09/06/1311940906.db2.gz FIHLFNSBAMPJHV-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589967 1311940908 /nfs/dbraw/zinc/94/09/08/1311940908.db2.gz FIHLFNSBAMPJHV-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590640 1311941983 /nfs/dbraw/zinc/94/19/83/1311941983.db2.gz SVNCWVFCBDIEBV-GGPHIMKMSA-N 2 1 341.499 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705169 1311955350 /nfs/dbraw/zinc/95/53/50/1311955350.db2.gz MSVCSDWIBWVSSU-RTBURBONSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952332 1312011514 /nfs/dbraw/zinc/01/15/14/1312011514.db2.gz GPAILPUFEAJGJT-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228940408 1312023601 /nfs/dbraw/zinc/02/36/01/1312023601.db2.gz VNAJNBICFUIRBR-IAGOWNOFSA-N 2 1 332.492 2.990 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229208497 1312062050 /nfs/dbraw/zinc/06/20/50/1312062050.db2.gz LGXAYVNWUUMTKR-DOTOQJQBSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229208501 1312062061 /nfs/dbraw/zinc/06/20/61/1312062061.db2.gz LGXAYVNWUUMTKR-RDJZCZTQSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229208499 1312062244 /nfs/dbraw/zinc/06/22/44/1312062244.db2.gz LGXAYVNWUUMTKR-NVXWUHKLSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820614 1312165320 /nfs/dbraw/zinc/16/53/20/1312165320.db2.gz MEOPSKZKVIEOLL-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820614 1312165322 /nfs/dbraw/zinc/16/53/22/1312165322.db2.gz MEOPSKZKVIEOLL-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820614 1312165325 /nfs/dbraw/zinc/16/53/25/1312165325.db2.gz MEOPSKZKVIEOLL-GBESFXJTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001162807065 1312180003 /nfs/dbraw/zinc/18/00/03/1312180003.db2.gz UNHRRUHHSJREME-FQEVSTJZSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001162849936 1312189372 /nfs/dbraw/zinc/18/93/72/1312189372.db2.gz OHNIDVBUCUMGFX-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860853 1312203010 /nfs/dbraw/zinc/20/30/10/1312203010.db2.gz FDAQKZMDYJUSTO-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860853 1312203014 /nfs/dbraw/zinc/20/30/14/1312203014.db2.gz FDAQKZMDYJUSTO-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860853 1312203017 /nfs/dbraw/zinc/20/30/17/1312203017.db2.gz FDAQKZMDYJUSTO-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001162934610 1312206867 /nfs/dbraw/zinc/20/68/67/1312206867.db2.gz FYTSIJNNILDXRC-UHFFFAOYSA-N 2 1 343.515 2.565 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001162982800 1312218561 /nfs/dbraw/zinc/21/85/61/1312218561.db2.gz PLNMBJQLBDMCMP-HXUWFJFHSA-N 2 1 343.515 2.565 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162986960 1312219577 /nfs/dbraw/zinc/21/95/77/1312219577.db2.gz FOWXFEMQHRSKGP-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987665 1312219620 /nfs/dbraw/zinc/21/96/20/1312219620.db2.gz SVTRKHGQGRUKHK-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230367424 1312230389 /nfs/dbraw/zinc/23/03/89/1312230389.db2.gz XCPQFJLMAXOXEF-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP CCCc1cc(C#N)c(NC(=[NH2+])NCC[NH+](CC)CC)nc1Cl ZINC001163126428 1312246477 /nfs/dbraw/zinc/24/64/77/1312246477.db2.gz RMPDFHUHKHHRFE-UHFFFAOYSA-N 2 1 336.871 2.837 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910721 1312249680 /nfs/dbraw/zinc/24/96/80/1312249680.db2.gz GKRHVCSTOKUWPA-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910721 1312249684 /nfs/dbraw/zinc/24/96/84/1312249684.db2.gz GKRHVCSTOKUWPA-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910721 1312249688 /nfs/dbraw/zinc/24/96/88/1312249688.db2.gz GKRHVCSTOKUWPA-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001230564509 1312266282 /nfs/dbraw/zinc/26/62/82/1312266282.db2.gz UKYYEFHZJSCDOZ-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001230564509 1312266285 /nfs/dbraw/zinc/26/62/85/1312266285.db2.gz UKYYEFHZJSCDOZ-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001230564509 1312266287 /nfs/dbraw/zinc/26/62/87/1312266287.db2.gz UKYYEFHZJSCDOZ-RLLQIKCJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574909 1312270640 /nfs/dbraw/zinc/27/06/40/1312270640.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574909 1312270644 /nfs/dbraw/zinc/27/06/44/1312270644.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574909 1312270648 /nfs/dbraw/zinc/27/06/48/1312270648.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591716 1312276277 /nfs/dbraw/zinc/27/62/77/1312276277.db2.gz HKUJCBKFZOVIBE-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592015 1312276920 /nfs/dbraw/zinc/27/69/20/1312276920.db2.gz POOHJIKUBZLJBR-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598732 1312279096 /nfs/dbraw/zinc/27/90/96/1312279096.db2.gz XTLGMMQWVLQLIO-VQTJNVASSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598689 1312279328 /nfs/dbraw/zinc/27/93/28/1312279328.db2.gz WXJVVZYICTYFNV-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610635 1312281963 /nfs/dbraw/zinc/28/19/63/1312281963.db2.gz FPYMELNDSLMVKR-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230613024 1312284045 /nfs/dbraw/zinc/28/40/45/1312284045.db2.gz JZFMEXGBWDPVOJ-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618733 1312285496 /nfs/dbraw/zinc/28/54/96/1312285496.db2.gz RBWNTOPMQKOLNN-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618733 1312285500 /nfs/dbraw/zinc/28/55/00/1312285500.db2.gz RBWNTOPMQKOLNN-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618733 1312285504 /nfs/dbraw/zinc/28/55/04/1312285504.db2.gz RBWNTOPMQKOLNN-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003104 1312348733 /nfs/dbraw/zinc/34/87/33/1312348733.db2.gz CBTJFUBETDUEGS-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003104 1312348737 /nfs/dbraw/zinc/34/87/37/1312348737.db2.gz CBTJFUBETDUEGS-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003104 1312348741 /nfs/dbraw/zinc/34/87/41/1312348741.db2.gz CBTJFUBETDUEGS-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531466 1312534229 /nfs/dbraw/zinc/53/42/29/1312534229.db2.gz JQJULHPJDOQNSI-QZTJIDSGSA-N 2 1 333.520 2.703 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164536820 1312535683 /nfs/dbraw/zinc/53/56/83/1312535683.db2.gz QXOVPVBQZNCTFX-QGZVFWFLSA-N 2 1 333.520 2.703 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235603 1312610833 /nfs/dbraw/zinc/61/08/33/1312610833.db2.gz PGOZNNLDGFKOGN-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243754 1312621278 /nfs/dbraw/zinc/62/12/78/1312621278.db2.gz CPZUCYAJPJTTKE-CALCHBBNSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472079 1312634866 /nfs/dbraw/zinc/63/48/66/1312634866.db2.gz GIEHSPRNRFPFIV-SFHVURJKSA-N 2 1 335.536 2.807 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165473234 1312635193 /nfs/dbraw/zinc/63/51/93/1312635193.db2.gz XZUINGLTRQJVIX-SFHVURJKSA-N 2 1 335.536 2.807 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C/CCC)CC1 ZINC001165545519 1312645958 /nfs/dbraw/zinc/64/59/58/1312645958.db2.gz LCHWKOOVCCHHSF-GHOSXJJBSA-N 2 1 345.531 2.707 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C/CCC)CC1 ZINC001165545519 1312645960 /nfs/dbraw/zinc/64/59/60/1312645960.db2.gz LCHWKOOVCCHHSF-GHOSXJJBSA-N 2 1 345.531 2.707 20 30 EFEDMP Cc1[nH+]c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1CC#N ZINC001165670688 1312660478 /nfs/dbraw/zinc/66/04/78/1312660478.db2.gz SSVGPDWHGYFXEO-QGZVFWFLSA-N 2 1 342.487 2.972 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211291603 1314470335 /nfs/dbraw/zinc/47/03/35/1314470335.db2.gz ALESMUFFAJIHCW-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374854 1314487465 /nfs/dbraw/zinc/48/74/65/1314487465.db2.gz QHYDQIKOQHJPQS-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374854 1314487468 /nfs/dbraw/zinc/48/74/68/1314487468.db2.gz QHYDQIKOQHJPQS-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1COCCC12C[NH2+]C2 ZINC001245987555 1314559999 /nfs/dbraw/zinc/55/99/99/1314559999.db2.gz ZVMJZJQWRITAKV-ZWKOTPCHSA-N 2 1 326.525 2.846 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246050487 1314574371 /nfs/dbraw/zinc/57/43/71/1314574371.db2.gz WXVXQFUUACSAIZ-PMACEKPBSA-N 2 1 339.568 2.985 20 30 EFEDMP N#CC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246191238 1314595393 /nfs/dbraw/zinc/59/53/93/1314595393.db2.gz MDHFHMYMBWFZOL-KVZIAJEVSA-N 2 1 343.471 2.899 20 30 EFEDMP C=CCOC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001246202932 1314597339 /nfs/dbraw/zinc/59/73/39/1314597339.db2.gz PJMFEGZOIFPFNJ-JCYILVPMSA-N 2 1 340.508 2.929 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027828 1314598063 /nfs/dbraw/zinc/59/80/63/1314598063.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027828 1314598067 /nfs/dbraw/zinc/59/80/67/1314598067.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027828 1314598072 /nfs/dbraw/zinc/59/80/72/1314598072.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028344 1314599251 /nfs/dbraw/zinc/59/92/51/1314599251.db2.gz LEVFQFPPFZEBMQ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599351 /nfs/dbraw/zinc/59/93/51/1314599351.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599357 /nfs/dbraw/zinc/59/93/57/1314599357.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599361 /nfs/dbraw/zinc/59/93/61/1314599361.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 2 1 348.494 2.708 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030947 1314605689 /nfs/dbraw/zinc/60/56/89/1314605689.db2.gz IAKAKJBITZBWFJ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030947 1314605693 /nfs/dbraw/zinc/60/56/93/1314605693.db2.gz IAKAKJBITZBWFJ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030717 1314605746 /nfs/dbraw/zinc/60/57/46/1314605746.db2.gz GUVBCMBANFIBJO-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030946 1314605775 /nfs/dbraw/zinc/60/57/75/1314605775.db2.gz IAKAKJBITZBWFJ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030946 1314605777 /nfs/dbraw/zinc/60/57/77/1314605777.db2.gz IAKAKJBITZBWFJ-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030948 1314605791 /nfs/dbraw/zinc/60/57/91/1314605791.db2.gz IAKAKJBITZBWFJ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053030948 1314605795 /nfs/dbraw/zinc/60/57/95/1314605795.db2.gz IAKAKJBITZBWFJ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(OC(C)C)CC1 ZINC001246307030 1314608265 /nfs/dbraw/zinc/60/82/65/1314608265.db2.gz YZKDJPASNGJYJI-JCYILVPMSA-N 2 1 326.481 2.539 20 30 EFEDMP CCCCCCCCN(CC[NH3+])[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246307706 1314608738 /nfs/dbraw/zinc/60/87/38/1314608738.db2.gz NSAXTTDWOFTTQI-SJORKVTESA-N 2 1 341.540 2.680 20 30 EFEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC001246311184 1314609264 /nfs/dbraw/zinc/60/92/64/1314609264.db2.gz KVELDZSIPGPUKW-IBGZPJMESA-N 2 1 330.472 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036959 1314616085 /nfs/dbraw/zinc/61/60/85/1314616085.db2.gz SHWGSXYPDUPFBK-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043757 1314626409 /nfs/dbraw/zinc/62/64/09/1314626409.db2.gz YYRKJTGSVWDELT-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444878 1314630167 /nfs/dbraw/zinc/63/01/67/1314630167.db2.gz ZIOJRCLQVXXERG-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443375 1314630306 /nfs/dbraw/zinc/63/03/06/1314630306.db2.gz SJMGWABCKWSIDV-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049881 1314635629 /nfs/dbraw/zinc/63/56/29/1314635629.db2.gz ATIRLOFGQLXCRK-RTBURBONSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246525352 1314642335 /nfs/dbraw/zinc/64/23/35/1314642335.db2.gz JGNMPNIRCBBHQL-DLBZAZTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC001246526815 1314642474 /nfs/dbraw/zinc/64/24/74/1314642474.db2.gz RMKCGXKKKNFMJP-IRXDYDNUSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC001246526815 1314642478 /nfs/dbraw/zinc/64/24/78/1314642478.db2.gz RMKCGXKKKNFMJP-IRXDYDNUSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC001246528438 1314642529 /nfs/dbraw/zinc/64/25/29/1314642529.db2.gz XNJGNXLEGXCHOG-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551999 1314646925 /nfs/dbraw/zinc/64/69/25/1314646925.db2.gz UBUVYUZRMXIQDN-WSTZPKSXSA-N 2 1 349.519 2.874 20 30 EFEDMP CC[C@H]1CC([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246790829 1314682925 /nfs/dbraw/zinc/68/29/25/1314682925.db2.gz NBOCFERKGDDKNB-ROUUACIJSA-N 2 1 326.488 2.989 20 30 EFEDMP CCCCCCCCC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823681 1314690522 /nfs/dbraw/zinc/69/05/22/1314690522.db2.gz VZYRHWDFMVYGOL-LJQANCHMSA-N 2 1 326.573 2.600 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3CCC4(C[NH2+]C4)[C@@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001247009193 1314730153 /nfs/dbraw/zinc/73/01/53/1314730153.db2.gz PMNNBWWNKCMCOR-UJJTZGENSA-N 2 1 332.488 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107747 1314732048 /nfs/dbraw/zinc/73/20/48/1314732048.db2.gz LMEYSPAUOKQRMQ-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107747 1314732054 /nfs/dbraw/zinc/73/20/54/1314732054.db2.gz LMEYSPAUOKQRMQ-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108281 1314732856 /nfs/dbraw/zinc/73/28/56/1314732856.db2.gz RSZWCDNKNIALRX-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108096 1314733111 /nfs/dbraw/zinc/73/31/11/1314733111.db2.gz PEFWGEQJNMXHHI-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108282 1314733221 /nfs/dbraw/zinc/73/32/21/1314733221.db2.gz RSZWCDNKNIALRX-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855823 1314748200 /nfs/dbraw/zinc/74/82/00/1314748200.db2.gz ORDGFKDWNUKXEH-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855668 1314748735 /nfs/dbraw/zinc/74/87/35/1314748735.db2.gz KLSFMUWFPRUDGI-KURKYZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024736 1314772204 /nfs/dbraw/zinc/77/22/04/1314772204.db2.gz PVCNYAKGQPLJKJ-CRAIPNDOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539953 1314847813 /nfs/dbraw/zinc/84/78/13/1314847813.db2.gz FFIKMWQFXOISNB-MDZRGWNJSA-N 2 1 339.499 2.602 20 30 EFEDMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])Cc3cccc(C#N)c3)n2)cc1 ZINC001248189123 1314902673 /nfs/dbraw/zinc/90/26/73/1314902673.db2.gz OSNKFBSQBGFURG-GOSISDBHSA-N 2 1 347.422 2.912 20 30 EFEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249107273 1315019536 /nfs/dbraw/zinc/01/95/36/1315019536.db2.gz UICIGRMJILCMTB-UHFFFAOYSA-N 2 1 325.460 2.758 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129236 1315337051 /nfs/dbraw/zinc/33/70/51/1315337051.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129236 1315337054 /nfs/dbraw/zinc/33/70/54/1315337054.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129236 1315337058 /nfs/dbraw/zinc/33/70/58/1315337058.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054128910 1315337759 /nfs/dbraw/zinc/33/77/59/1315337759.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054128910 1315337763 /nfs/dbraw/zinc/33/77/63/1315337763.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054128910 1315337767 /nfs/dbraw/zinc/33/77/67/1315337767.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054128911 1315337787 /nfs/dbraw/zinc/33/77/87/1315337787.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054128911 1315337789 /nfs/dbraw/zinc/33/77/89/1315337789.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054128911 1315337793 /nfs/dbraw/zinc/33/77/93/1315337793.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054134019 1315345943 /nfs/dbraw/zinc/34/59/43/1315345943.db2.gz SAPDKTFJPXCYNE-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054134019 1315345946 /nfs/dbraw/zinc/34/59/46/1315345946.db2.gz SAPDKTFJPXCYNE-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142458 1315359445 /nfs/dbraw/zinc/35/94/45/1315359445.db2.gz CGKSBAUABKMOGS-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142458 1315359452 /nfs/dbraw/zinc/35/94/52/1315359452.db2.gz CGKSBAUABKMOGS-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142458 1315359455 /nfs/dbraw/zinc/35/94/55/1315359455.db2.gz CGKSBAUABKMOGS-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144589 1315362736 /nfs/dbraw/zinc/36/27/36/1315362736.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144589 1315362739 /nfs/dbraw/zinc/36/27/39/1315362739.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144589 1315362743 /nfs/dbraw/zinc/36/27/43/1315362743.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054144645 1315362798 /nfs/dbraw/zinc/36/27/98/1315362798.db2.gz ATZNOUGNXRHZEZ-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054144645 1315362800 /nfs/dbraw/zinc/36/28/00/1315362800.db2.gz ATZNOUGNXRHZEZ-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054144650 1315363038 /nfs/dbraw/zinc/36/30/38/1315363038.db2.gz ATZNOUGNXRHZEZ-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054144650 1315363043 /nfs/dbraw/zinc/36/30/43/1315363043.db2.gz ATZNOUGNXRHZEZ-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144587 1315363054 /nfs/dbraw/zinc/36/30/54/1315363054.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144587 1315363061 /nfs/dbraw/zinc/36/30/61/1315363061.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144587 1315363065 /nfs/dbraw/zinc/36/30/65/1315363065.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144588 1315363115 /nfs/dbraw/zinc/36/31/15/1315363115.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144588 1315363120 /nfs/dbraw/zinc/36/31/20/1315363120.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144588 1315363123 /nfs/dbraw/zinc/36/31/23/1315363123.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054152821 1315377313 /nfs/dbraw/zinc/37/73/13/1315377313.db2.gz HNOOIBFMZZUQIJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054152821 1315377315 /nfs/dbraw/zinc/37/73/15/1315377315.db2.gz HNOOIBFMZZUQIJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054152821 1315377317 /nfs/dbraw/zinc/37/73/17/1315377317.db2.gz HNOOIBFMZZUQIJ-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158622 1315385778 /nfs/dbraw/zinc/38/57/78/1315385778.db2.gz NTVUKXOZRSKNMI-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158622 1315385782 /nfs/dbraw/zinc/38/57/82/1315385782.db2.gz NTVUKXOZRSKNMI-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158622 1315385785 /nfs/dbraw/zinc/38/57/85/1315385785.db2.gz NTVUKXOZRSKNMI-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054158695 1315386175 /nfs/dbraw/zinc/38/61/75/1315386175.db2.gz ACSWNYPNHUCRLY-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169919 1315404002 /nfs/dbraw/zinc/40/40/02/1315404002.db2.gz AOJPTOWMWGEWPE-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174234 1315409733 /nfs/dbraw/zinc/40/97/33/1315409733.db2.gz KOCYHRYVZSDRCA-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252128149 1315416461 /nfs/dbraw/zinc/41/64/61/1315416461.db2.gz JEBIABSWSCKAJV-GOSISDBHSA-N 2 1 344.540 2.915 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185161 1315426164 /nfs/dbraw/zinc/42/61/64/1315426164.db2.gz VDUWPUCHOYVHOS-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185161 1315426166 /nfs/dbraw/zinc/42/61/66/1315426166.db2.gz VDUWPUCHOYVHOS-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185161 1315426168 /nfs/dbraw/zinc/42/61/68/1315426168.db2.gz VDUWPUCHOYVHOS-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054185604 1315427169 /nfs/dbraw/zinc/42/71/69/1315427169.db2.gz GBLKFKDFNOCCCK-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197344 1315440908 /nfs/dbraw/zinc/44/09/08/1315440908.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197344 1315440912 /nfs/dbraw/zinc/44/09/12/1315440912.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197344 1315440917 /nfs/dbraw/zinc/44/09/17/1315440917.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197796 1315442159 /nfs/dbraw/zinc/44/21/59/1315442159.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197796 1315442162 /nfs/dbraw/zinc/44/21/62/1315442162.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197796 1315442164 /nfs/dbraw/zinc/44/21/64/1315442164.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075020 1315449306 /nfs/dbraw/zinc/44/93/06/1315449306.db2.gz XCPMRVLTRQXYBG-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474220 1315453872 /nfs/dbraw/zinc/45/38/72/1315453872.db2.gz WTIUPJRDXZAUDC-LEWJYISDSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252474220 1315453875 /nfs/dbraw/zinc/45/38/75/1315453875.db2.gz WTIUPJRDXZAUDC-LEWJYISDSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252474220 1315453879 /nfs/dbraw/zinc/45/38/79/1315453879.db2.gz WTIUPJRDXZAUDC-LEWJYISDSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220868804 1315457961 /nfs/dbraw/zinc/45/79/61/1315457961.db2.gz VBDOFEHKTZPUCC-IPMKNSEASA-N 2 1 327.472 2.636 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC001220868865 1315458161 /nfs/dbraw/zinc/45/81/61/1315458161.db2.gz XQWFKPCYJITCJE-RBUKOAKNSA-N 2 1 343.515 2.621 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001220868269 1315458665 /nfs/dbraw/zinc/45/86/65/1315458665.db2.gz FTBHUILWZFPWTE-FQEVSTJZSA-N 2 1 341.499 2.609 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599025 1315474793 /nfs/dbraw/zinc/47/47/93/1315474793.db2.gz WCPPELXBVVLRMH-VMXMFDLUSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599025 1315474798 /nfs/dbraw/zinc/47/47/98/1315474798.db2.gz WCPPELXBVVLRMH-VMXMFDLUSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599025 1315474801 /nfs/dbraw/zinc/47/48/01/1315474801.db2.gz WCPPELXBVVLRMH-VMXMFDLUSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599025 1315474806 /nfs/dbraw/zinc/47/48/06/1315474806.db2.gz WCPPELXBVVLRMH-VMXMFDLUSA-N 2 1 343.515 2.941 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219889 1315476714 /nfs/dbraw/zinc/47/67/14/1315476714.db2.gz YYZFUVIRGBCGAB-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001252618703 1315476955 /nfs/dbraw/zinc/47/69/55/1315476955.db2.gz DGMZTIJDZKSSLR-LJQANCHMSA-N 2 1 332.488 2.619 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222882 1315479802 /nfs/dbraw/zinc/47/98/02/1315479802.db2.gz KVQYWAHXAQCGGV-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227256 1315486916 /nfs/dbraw/zinc/48/69/16/1315486916.db2.gz FZLDUEVDVFAOTO-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227256 1315486920 /nfs/dbraw/zinc/48/69/20/1315486920.db2.gz FZLDUEVDVFAOTO-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227256 1315486926 /nfs/dbraw/zinc/48/69/26/1315486926.db2.gz FZLDUEVDVFAOTO-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128328 1315509536 /nfs/dbraw/zinc/50/95/36/1315509536.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128328 1315509540 /nfs/dbraw/zinc/50/95/40/1315509540.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128328 1315509543 /nfs/dbraw/zinc/50/95/43/1315509543.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243632 1315512771 /nfs/dbraw/zinc/51/27/71/1315512771.db2.gz KLLIVYJRZPZFBM-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245477 1315516149 /nfs/dbraw/zinc/51/61/49/1315516149.db2.gz TURIUNOXCWDUIW-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245878 1315517826 /nfs/dbraw/zinc/51/78/26/1315517826.db2.gz GMAFVIHNZCNHKQ-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245878 1315517829 /nfs/dbraw/zinc/51/78/29/1315517829.db2.gz GMAFVIHNZCNHKQ-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134472 1315517833 /nfs/dbraw/zinc/51/78/33/1315517833.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134472 1315517835 /nfs/dbraw/zinc/51/78/35/1315517835.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134472 1315517838 /nfs/dbraw/zinc/51/78/38/1315517838.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134710 1315519468 /nfs/dbraw/zinc/51/94/68/1315519468.db2.gz UNPKJGUQIBOGGU-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138360 1315524956 /nfs/dbraw/zinc/52/49/56/1315524956.db2.gz OVOZLQVCDSLDEC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138360 1315524959 /nfs/dbraw/zinc/52/49/59/1315524959.db2.gz OVOZLQVCDSLDEC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138360 1315524961 /nfs/dbraw/zinc/52/49/61/1315524961.db2.gz OVOZLQVCDSLDEC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039143972 1315535829 /nfs/dbraw/zinc/53/58/29/1315535829.db2.gz DXPYVXLOSWXGOJ-QGZVFWFLSA-N 2 1 338.455 2.694 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252987675 1315546543 /nfs/dbraw/zinc/54/65/43/1315546543.db2.gz VLMKKTMLERBCDS-IBGZPJMESA-N 2 1 328.541 2.924 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554927 /nfs/dbraw/zinc/55/49/27/1315554927.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554932 /nfs/dbraw/zinc/55/49/32/1315554932.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554937 /nfs/dbraw/zinc/55/49/37/1315554937.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561472 /nfs/dbraw/zinc/56/14/72/1315561472.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561477 /nfs/dbraw/zinc/56/14/77/1315561477.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561480 /nfs/dbraw/zinc/56/14/80/1315561480.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563951 /nfs/dbraw/zinc/56/39/51/1315563951.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563955 /nfs/dbraw/zinc/56/39/55/1315563955.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563958 /nfs/dbraw/zinc/56/39/58/1315563958.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167197 1315569083 /nfs/dbraw/zinc/56/90/83/1315569083.db2.gz ODGZQUJYGWSNQA-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172985 1315577041 /nfs/dbraw/zinc/57/70/41/1315577041.db2.gz KKTNINSNNHWCLB-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172985 1315577044 /nfs/dbraw/zinc/57/70/44/1315577044.db2.gz KKTNINSNNHWCLB-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001253239839 1315583480 /nfs/dbraw/zinc/58/34/80/1315583480.db2.gz UBYUUXUTIWXXEM-IBGZPJMESA-N 2 1 326.525 2.917 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001253239839 1315583483 /nfs/dbraw/zinc/58/34/83/1315583483.db2.gz UBYUUXUTIWXXEM-IBGZPJMESA-N 2 1 326.525 2.917 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182426 1315589534 /nfs/dbraw/zinc/58/95/34/1315589534.db2.gz NPLHGAXLZFDDTC-FQEVSTJZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182427 1315589726 /nfs/dbraw/zinc/58/97/26/1315589726.db2.gz NPLHGAXLZFDDTC-HXUWFJFHSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039213460 1315629829 /nfs/dbraw/zinc/62/98/29/1315629829.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213460 1315629830 /nfs/dbraw/zinc/62/98/30/1315629830.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213460 1315629832 /nfs/dbraw/zinc/62/98/32/1315629832.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214744 1315631694 /nfs/dbraw/zinc/63/16/94/1315631694.db2.gz QAVJONSSJCMNQG-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214744 1315631698 /nfs/dbraw/zinc/63/16/98/1315631698.db2.gz QAVJONSSJCMNQG-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214742 1315631884 /nfs/dbraw/zinc/63/18/84/1315631884.db2.gz QAVJONSSJCMNQG-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214742 1315631887 /nfs/dbraw/zinc/63/18/87/1315631887.db2.gz QAVJONSSJCMNQG-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228547 1315651023 /nfs/dbraw/zinc/65/10/23/1315651023.db2.gz JFYFUJLXNHRWSG-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233888 1315657158 /nfs/dbraw/zinc/65/71/58/1315657158.db2.gz FUQNMWUTYAZKPN-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039238029 1315664213 /nfs/dbraw/zinc/66/42/13/1315664213.db2.gz JZQAOYICYPFEQU-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241555 1315668889 /nfs/dbraw/zinc/66/88/89/1315668889.db2.gz CLOPBCZJWMWFFD-UXHICEINSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039289136 1315703219 /nfs/dbraw/zinc/70/32/19/1315703219.db2.gz NPSLBOJONLWBID-QZNYNHHHSA-N 2 1 343.515 2.528 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039300097 1315708255 /nfs/dbraw/zinc/70/82/55/1315708255.db2.gz WRVIDHVHZYOBIF-ALOPSCKCSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001405798 1315729363 /nfs/dbraw/zinc/72/93/63/1315729363.db2.gz UMKXPWWAZPSQBW-GOSISDBHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165182 1315746728 /nfs/dbraw/zinc/74/67/28/1315746728.db2.gz XCSOSRHIDKWMBV-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375097 1315747844 /nfs/dbraw/zinc/74/78/44/1315747844.db2.gz RHXPRXZCIBLTTA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375097 1315747848 /nfs/dbraw/zinc/74/78/48/1315747848.db2.gz RHXPRXZCIBLTTA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375097 1315747850 /nfs/dbraw/zinc/74/78/50/1315747850.db2.gz RHXPRXZCIBLTTA-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377066 1315748870 /nfs/dbraw/zinc/74/88/70/1315748870.db2.gz BFHZYXPROAUBLS-ZACQAIPSSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377066 1315748872 /nfs/dbraw/zinc/74/88/72/1315748872.db2.gz BFHZYXPROAUBLS-ZACQAIPSSA-N 2 1 330.476 2.648 20 30 EFEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC4CCN(CC4)C3)C2)c1 ZINC001254863457 1315751718 /nfs/dbraw/zinc/75/17/18/1315751718.db2.gz FDFGZMTZRCRCRS-AZUAARDMSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(O[C@@H]2CCCN([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863457 1315751722 /nfs/dbraw/zinc/75/17/22/1315751722.db2.gz FDFGZMTZRCRCRS-AZUAARDMSA-N 2 1 325.456 2.886 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039458448 1315805066 /nfs/dbraw/zinc/80/50/66/1315805066.db2.gz WFWLNISPOGRCBK-HSALFYBXSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458448 1315805070 /nfs/dbraw/zinc/80/50/70/1315805070.db2.gz WFWLNISPOGRCBK-HSALFYBXSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458448 1315805073 /nfs/dbraw/zinc/80/50/73/1315805073.db2.gz WFWLNISPOGRCBK-HSALFYBXSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458448 1315805076 /nfs/dbraw/zinc/80/50/76/1315805076.db2.gz WFWLNISPOGRCBK-HSALFYBXSA-N 2 1 345.531 2.730 20 30 EFEDMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255395907 1315816129 /nfs/dbraw/zinc/81/61/29/1315816129.db2.gz FGJDLTHFPVYYJT-ROUUACIJSA-N 2 1 333.476 2.551 20 30 EFEDMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)NO ZINC001255395907 1315816130 /nfs/dbraw/zinc/81/61/30/1315816130.db2.gz FGJDLTHFPVYYJT-ROUUACIJSA-N 2 1 333.476 2.551 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039473839 1315817054 /nfs/dbraw/zinc/81/70/54/1315817054.db2.gz FGMODSYVOUDNRP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473839 1315817055 /nfs/dbraw/zinc/81/70/55/1315817055.db2.gz FGMODSYVOUDNRP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473839 1315817056 /nfs/dbraw/zinc/81/70/56/1315817056.db2.gz FGMODSYVOUDNRP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP CN1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477908 1315828606 /nfs/dbraw/zinc/82/86/06/1315828606.db2.gz QINYLYQXDSRMEO-UFYCRDLUSA-N 2 1 326.488 2.724 20 30 EFEDMP C=C(C)CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283997 1315842400 /nfs/dbraw/zinc/84/24/00/1315842400.db2.gz VMKLZZVXWHUVTF-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283997 1315842403 /nfs/dbraw/zinc/84/24/03/1315842403.db2.gz VMKLZZVXWHUVTF-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283997 1315842407 /nfs/dbraw/zinc/84/24/07/1315842407.db2.gz VMKLZZVXWHUVTF-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@@H+]3CC)cccc2C1 ZINC001051306681 1315846535 /nfs/dbraw/zinc/84/65/35/1315846535.db2.gz LOLGVMDIHSVGQC-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306681 1315846536 /nfs/dbraw/zinc/84/65/36/1315846536.db2.gz LOLGVMDIHSVGQC-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306681 1315846538 /nfs/dbraw/zinc/84/65/38/1315846538.db2.gz LOLGVMDIHSVGQC-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255678455 1315857221 /nfs/dbraw/zinc/85/72/21/1315857221.db2.gz GPTOQUIKQLTZEF-WSCSCYJOSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678455 1315857225 /nfs/dbraw/zinc/85/72/25/1315857225.db2.gz GPTOQUIKQLTZEF-WSCSCYJOSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678455 1315857230 /nfs/dbraw/zinc/85/72/30/1315857230.db2.gz GPTOQUIKQLTZEF-WSCSCYJOSA-N 2 1 334.504 2.828 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522417 1315951648 /nfs/dbraw/zinc/95/16/48/1315951648.db2.gz GWBBCAGNGKJGSB-IEBWSBKVSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522417 1315951651 /nfs/dbraw/zinc/95/16/51/1315951651.db2.gz GWBBCAGNGKJGSB-IEBWSBKVSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CCN1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528573 1315952264 /nfs/dbraw/zinc/95/22/64/1315952264.db2.gz HNVZRTGYKZZSQH-RLLQIKCJSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCN1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528573 1315952265 /nfs/dbraw/zinc/95/22/65/1315952265.db2.gz HNVZRTGYKZZSQH-RLLQIKCJSA-N 2 1 341.499 2.806 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514035 1315961280 /nfs/dbraw/zinc/96/12/80/1315961280.db2.gz MXZCZQYFKOBJIZ-OAHLLOKOSA-N 2 1 346.862 2.980 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514035 1315961283 /nfs/dbraw/zinc/96/12/83/1315961283.db2.gz MXZCZQYFKOBJIZ-OAHLLOKOSA-N 2 1 346.862 2.980 20 30 EFEDMP N#Cc1ccc2c(c1)C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256690898 1315983221 /nfs/dbraw/zinc/98/32/21/1315983221.db2.gz MJGQWJIYISWUAD-UHFFFAOYSA-N 2 1 325.456 2.560 20 30 EFEDMP C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256850324 1315998919 /nfs/dbraw/zinc/99/89/19/1315998919.db2.gz YIDQELNGCTZGRJ-SFHVURJKSA-N 2 1 331.460 2.784 20 30 EFEDMP C=C1C[C@@H]2CC(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)C[C@H](C1)C2 ZINC001257890774 1316101311 /nfs/dbraw/zinc/10/13/11/1316101311.db2.gz ACQLWFIJEHWGTC-DFNIBXOVSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C1C[C@@H]2CC(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)C[C@H](C1)C2 ZINC001257890774 1316101312 /nfs/dbraw/zinc/10/13/12/1316101312.db2.gz ACQLWFIJEHWGTC-DFNIBXOVSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C1C[C@@H]2CC([NH+]3CCC4(CCC[N@H+]4CC(=O)NC)CC3)C[C@H](C1)C2 ZINC001257890774 1316101313 /nfs/dbraw/zinc/10/13/13/1316101313.db2.gz ACQLWFIJEHWGTC-DFNIBXOVSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C1C[C@@H]2CC([NH+]3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)C[C@H](C1)C2 ZINC001257890774 1316101314 /nfs/dbraw/zinc/10/13/14/1316101314.db2.gz ACQLWFIJEHWGTC-DFNIBXOVSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014118 1316110295 /nfs/dbraw/zinc/11/02/95/1316110295.db2.gz CJOXUBICOOJFDK-VQTJNVASSA-N 2 1 336.520 2.933 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207371 1316143305 /nfs/dbraw/zinc/14/33/05/1316143305.db2.gz FGJKBTDZTOMSNX-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209630 1316144882 /nfs/dbraw/zinc/14/48/82/1316144882.db2.gz LLYDSOOPBJPGEY-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209630 1316144883 /nfs/dbraw/zinc/14/48/83/1316144883.db2.gz LLYDSOOPBJPGEY-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209630 1316144885 /nfs/dbraw/zinc/14/48/85/1316144885.db2.gz LLYDSOOPBJPGEY-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211186 1316146021 /nfs/dbraw/zinc/14/60/21/1316146021.db2.gz XSHWWPJAQHYBAC-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242516 1316161901 /nfs/dbraw/zinc/16/19/01/1316161901.db2.gz YQFUDPCOASZIGG-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258727059 1316173546 /nfs/dbraw/zinc/17/35/46/1316173546.db2.gz BGDDXYVUIZZZMS-INIZCTEOSA-N 2 1 332.492 2.644 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258727059 1316173549 /nfs/dbraw/zinc/17/35/49/1316173549.db2.gz BGDDXYVUIZZZMS-INIZCTEOSA-N 2 1 332.492 2.644 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258727059 1316173553 /nfs/dbraw/zinc/17/35/53/1316173553.db2.gz BGDDXYVUIZZZMS-INIZCTEOSA-N 2 1 332.492 2.644 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258727986 1316173653 /nfs/dbraw/zinc/17/36/53/1316173653.db2.gz KFNYOVXOKFVAKC-XUVXKRRUSA-N 2 1 335.536 2.602 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258727986 1316173655 /nfs/dbraw/zinc/17/36/55/1316173655.db2.gz KFNYOVXOKFVAKC-XUVXKRRUSA-N 2 1 335.536 2.602 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258727986 1316173658 /nfs/dbraw/zinc/17/36/58/1316173658.db2.gz KFNYOVXOKFVAKC-XUVXKRRUSA-N 2 1 335.536 2.602 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258772799 1316176320 /nfs/dbraw/zinc/17/63/20/1316176320.db2.gz YMMYRQZRRDUWHX-HXUWFJFHSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276609 1316179609 /nfs/dbraw/zinc/17/96/09/1316179609.db2.gz NXENVYXGZASKRP-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276609 1316179610 /nfs/dbraw/zinc/17/96/10/1316179610.db2.gz NXENVYXGZASKRP-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276609 1316179612 /nfs/dbraw/zinc/17/96/12/1316179612.db2.gz NXENVYXGZASKRP-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347645 1316214044 /nfs/dbraw/zinc/21/40/44/1316214044.db2.gz LRKLBLRCVLLGMM-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347645 1316214046 /nfs/dbraw/zinc/21/40/46/1316214046.db2.gz LRKLBLRCVLLGMM-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347645 1316214049 /nfs/dbraw/zinc/21/40/49/1316214049.db2.gz LRKLBLRCVLLGMM-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040357137 1316220103 /nfs/dbraw/zinc/22/01/03/1316220103.db2.gz NQPNUVSBDKYCFD-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241836 /nfs/dbraw/zinc/24/18/36/1316241836.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241840 /nfs/dbraw/zinc/24/18/40/1316241840.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241843 /nfs/dbraw/zinc/24/18/43/1316241843.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422713 1316255669 /nfs/dbraw/zinc/25/56/69/1316255669.db2.gz NRRVDSFANQBHQT-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422713 1316255672 /nfs/dbraw/zinc/25/56/72/1316255672.db2.gz NRRVDSFANQBHQT-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430813 1316260392 /nfs/dbraw/zinc/26/03/92/1316260392.db2.gz CQZAVPKJJKRCDZ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432171 1316262129 /nfs/dbraw/zinc/26/21/29/1316262129.db2.gz MKTQCGJFXSFIMR-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432993 1316262938 /nfs/dbraw/zinc/26/29/38/1316262938.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432993 1316262942 /nfs/dbraw/zinc/26/29/42/1316262942.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432993 1316262945 /nfs/dbraw/zinc/26/29/45/1316262945.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464490 1316280321 /nfs/dbraw/zinc/28/03/21/1316280321.db2.gz NFVRFYAYAFZVKT-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493312 1316292876 /nfs/dbraw/zinc/29/28/76/1316292876.db2.gz KBQYOGODSZVGFP-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493312 1316292880 /nfs/dbraw/zinc/29/28/80/1316292880.db2.gz KBQYOGODSZVGFP-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545436 1316316703 /nfs/dbraw/zinc/31/67/03/1316316703.db2.gz QBUVWVIWBKFBES-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545959 1316317395 /nfs/dbraw/zinc/31/73/95/1316317395.db2.gz ZMSZRIRGRFYPDM-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726022 1316360835 /nfs/dbraw/zinc/36/08/35/1316360835.db2.gz IOAQDEUIQQWJPW-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040816567 1316380894 /nfs/dbraw/zinc/38/08/94/1316380894.db2.gz AZVYMFCXRDMWQL-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040915051 1316403838 /nfs/dbraw/zinc/40/38/38/1316403838.db2.gz UXQDRSMUQNNTHB-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041301707 1316507058 /nfs/dbraw/zinc/50/70/58/1316507058.db2.gz PPEHVFKCFGKVCL-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301707 1316507060 /nfs/dbraw/zinc/50/70/60/1316507060.db2.gz PPEHVFKCFGKVCL-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301707 1316507062 /nfs/dbraw/zinc/50/70/62/1316507062.db2.gz PPEHVFKCFGKVCL-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358030 1316526972 /nfs/dbraw/zinc/52/69/72/1316526972.db2.gz KPCQSGFYBGWEOK-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358030 1316526976 /nfs/dbraw/zinc/52/69/76/1316526976.db2.gz KPCQSGFYBGWEOK-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358030 1316526979 /nfs/dbraw/zinc/52/69/79/1316526979.db2.gz KPCQSGFYBGWEOK-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCN(CC)[C@H](C)C1 ZINC001263341429 1316534166 /nfs/dbraw/zinc/53/41/66/1316534166.db2.gz NRGQEJCNEQXIAP-IAGOWNOFSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041430168 1316550422 /nfs/dbraw/zinc/55/04/22/1316550422.db2.gz AXHWEKUTMLWXEA-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430168 1316550424 /nfs/dbraw/zinc/55/04/24/1316550424.db2.gz AXHWEKUTMLWXEA-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430168 1316550426 /nfs/dbraw/zinc/55/04/26/1316550426.db2.gz AXHWEKUTMLWXEA-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477283 1316562756 /nfs/dbraw/zinc/56/27/56/1316562756.db2.gz ZZJVBPIBXCRTMW-GOSISDBHSA-N 2 1 344.846 2.625 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477283 1316562758 /nfs/dbraw/zinc/56/27/58/1316562758.db2.gz ZZJVBPIBXCRTMW-GOSISDBHSA-N 2 1 344.846 2.625 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586778 1316609129 /nfs/dbraw/zinc/60/91/29/1316609129.db2.gz MANWBEPQMYBWFG-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586778 1316609131 /nfs/dbraw/zinc/60/91/31/1316609131.db2.gz MANWBEPQMYBWFG-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586778 1316609134 /nfs/dbraw/zinc/60/91/34/1316609134.db2.gz MANWBEPQMYBWFG-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591185 1316611384 /nfs/dbraw/zinc/61/13/84/1316611384.db2.gz XSFNKJSSFPRDHX-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591185 1316611386 /nfs/dbraw/zinc/61/13/86/1316611386.db2.gz XSFNKJSSFPRDHX-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591185 1316611390 /nfs/dbraw/zinc/61/13/90/1316611390.db2.gz XSFNKJSSFPRDHX-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605859 1316617446 /nfs/dbraw/zinc/61/74/46/1316617446.db2.gz NLOBMYWTGQULMD-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742350 1316676638 /nfs/dbraw/zinc/67/66/38/1316676638.db2.gz AZQCMLAVSBBRDL-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041744074 1316677912 /nfs/dbraw/zinc/67/79/12/1316677912.db2.gz UPOYWABLZKPEGM-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767603 1316688500 /nfs/dbraw/zinc/68/85/00/1316688500.db2.gz JOMCKBWUMQYNHV-HXUWFJFHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782549 1316696202 /nfs/dbraw/zinc/69/62/02/1316696202.db2.gz AHEIERSTKIVWRY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782549 1316696204 /nfs/dbraw/zinc/69/62/04/1316696204.db2.gz AHEIERSTKIVWRY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782549 1316696208 /nfs/dbraw/zinc/69/62/08/1316696208.db2.gz AHEIERSTKIVWRY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844153 1316730268 /nfs/dbraw/zinc/73/02/68/1316730268.db2.gz DSUCLURVKTVGNG-GOSISDBHSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844153 1316730272 /nfs/dbraw/zinc/73/02/72/1316730272.db2.gz DSUCLURVKTVGNG-GOSISDBHSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845969 1316731906 /nfs/dbraw/zinc/73/19/06/1316731906.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845969 1316731908 /nfs/dbraw/zinc/73/19/08/1316731908.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845969 1316731910 /nfs/dbraw/zinc/73/19/10/1316731910.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845942 1316732370 /nfs/dbraw/zinc/73/23/70/1316732370.db2.gz SRECMZYJRPSNLK-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062760 1316852668 /nfs/dbraw/zinc/85/26/68/1316852668.db2.gz OPPSJOKOMUDXAF-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062759 1316852865 /nfs/dbraw/zinc/85/28/65/1316852865.db2.gz OPPSJOKOMUDXAF-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114835 1316888111 /nfs/dbraw/zinc/88/81/11/1316888111.db2.gz OZOMROIZRYMPGX-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125239 1316896400 /nfs/dbraw/zinc/89/64/00/1316896400.db2.gz QIJQHKDKEBNLRY-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125239 1316896402 /nfs/dbraw/zinc/89/64/02/1316896402.db2.gz QIJQHKDKEBNLRY-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125239 1316896404 /nfs/dbraw/zinc/89/64/04/1316896404.db2.gz QIJQHKDKEBNLRY-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252815 1317036688 /nfs/dbraw/zinc/03/66/88/1317036688.db2.gz NTRKCAZDRIXJPW-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252815 1317036693 /nfs/dbraw/zinc/03/66/93/1317036693.db2.gz NTRKCAZDRIXJPW-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288702 1317097255 /nfs/dbraw/zinc/09/72/55/1317097255.db2.gz UVBUVSOZWHPIJE-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297923 1317111795 /nfs/dbraw/zinc/11/17/95/1317111795.db2.gz XXFSSVYUDPYEPI-QUCCMNQESA-N 2 1 347.547 2.996 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198370 /nfs/dbraw/zinc/19/83/70/1317198370.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198374 /nfs/dbraw/zinc/19/83/74/1317198374.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198376 /nfs/dbraw/zinc/19/83/76/1317198376.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)cc1 ZINC001279145158 1317198502 /nfs/dbraw/zinc/19/85/02/1317198502.db2.gz JQJGDHHPOFTTCW-UHFFFAOYSA-N 2 1 348.450 2.757 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204152 /nfs/dbraw/zinc/20/41/52/1317204152.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204159 /nfs/dbraw/zinc/20/41/59/1317204159.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204166 /nfs/dbraw/zinc/20/41/66/1317204166.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 2 1 349.482 2.636 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368147 1317222453 /nfs/dbraw/zinc/22/24/53/1317222453.db2.gz ONRRUFFYFTYXON-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC001325871032 1329718159 /nfs/dbraw/zinc/71/81/59/1329718159.db2.gz LULBBXGWIWIBEB-IBGZPJMESA-N 2 1 342.487 2.987 20 30 EFEDMP C#CC[NH+]1CCC(c2nnc([C@H](C)C[NH+]3CCC(C)CC3)o2)CC1 ZINC001326265772 1329743018 /nfs/dbraw/zinc/74/30/18/1329743018.db2.gz HJXBVPGBCANVBS-MRXNPFEDSA-N 2 1 330.476 2.718 20 30 EFEDMP CCC[N@H+]1CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001335860925 1331410737 /nfs/dbraw/zinc/41/07/37/1331410737.db2.gz XXESVWORFFBWIX-SJORKVTESA-N 2 1 338.540 2.621 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089762 1332138029 /nfs/dbraw/zinc/13/80/29/1332138029.db2.gz HFKVJLQLDAMCBM-MOPGFXCFSA-N 2 1 329.488 2.651 20 30 EFEDMP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343927008 1332391635 /nfs/dbraw/zinc/39/16/35/1332391635.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001343927008 1332391641 /nfs/dbraw/zinc/39/16/41/1332391641.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001407290186 1368713749 /nfs/dbraw/zinc/71/37/49/1368713749.db2.gz COTILDZFLODWBG-QGZVFWFLSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001407290186 1368713756 /nfs/dbraw/zinc/71/37/56/1368713756.db2.gz COTILDZFLODWBG-QGZVFWFLSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751930 1333440617 /nfs/dbraw/zinc/44/06/17/1333440617.db2.gz PEVUBFFRBCEEAK-QGZVFWFLSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751930 1333440620 /nfs/dbraw/zinc/44/06/20/1333440620.db2.gz PEVUBFFRBCEEAK-QGZVFWFLSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756055 1333446086 /nfs/dbraw/zinc/44/60/86/1333446086.db2.gz DACMHSWRCYCVRW-HXUWFJFHSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001926015 1333752043 /nfs/dbraw/zinc/75/20/43/1333752043.db2.gz SQTGCQONQCQXIE-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001926015 1333752047 /nfs/dbraw/zinc/75/20/47/1333752047.db2.gz SQTGCQONQCQXIE-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679610 1334558977 /nfs/dbraw/zinc/55/89/77/1334558977.db2.gz FAGHWEAVHHQLFP-LADRWXRNSA-N 2 1 339.499 2.650 20 30 EFEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679976 1334559886 /nfs/dbraw/zinc/55/98/86/1334559886.db2.gz YSESEQHQKGAKAV-LADRWXRNSA-N 2 1 339.499 2.650 20 30 EFEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681275 1334563535 /nfs/dbraw/zinc/56/35/35/1334563535.db2.gz FFUDLGZRBOCMQX-UHFFFAOYSA-N 2 1 343.515 2.612 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849076057 1335070104 /nfs/dbraw/zinc/07/01/04/1335070104.db2.gz UKPYAKYIDQHMJH-FQEVSTJZSA-N 2 1 340.471 2.857 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001375292897 1342600493 /nfs/dbraw/zinc/60/04/93/1342600493.db2.gz YWADZBRALDQTGO-HOTGVXAUSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001375934881 1343183198 /nfs/dbraw/zinc/18/31/98/1343183198.db2.gz OXKVYXRDBYKYHY-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001377768063 1344415981 /nfs/dbraw/zinc/41/59/81/1344415981.db2.gz WCKDPAPTNPDSFS-KRWDZBQOSA-N 2 1 349.906 2.895 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001393857356 1357216194 /nfs/dbraw/zinc/21/61/94/1357216194.db2.gz ZDWQPOBFBRCXGF-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001393857356 1357216198 /nfs/dbraw/zinc/21/61/98/1357216198.db2.gz ZDWQPOBFBRCXGF-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001393857356 1357216204 /nfs/dbraw/zinc/21/62/04/1357216204.db2.gz ZDWQPOBFBRCXGF-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001379155355 1345631342 /nfs/dbraw/zinc/63/13/42/1345631342.db2.gz VJTQODZLLDEVNM-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001379181936 1345645951 /nfs/dbraw/zinc/64/59/51/1345645951.db2.gz VPWZGFKGRCLTFM-HUUCEWRRSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001380786673 1347877800 /nfs/dbraw/zinc/87/78/00/1347877800.db2.gz ZWEYHXWSFQVTRR-WMLDXEAASA-N 2 1 335.879 2.800 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539207 1349006029 /nfs/dbraw/zinc/00/60/29/1349006029.db2.gz HUVLOHMKRQCGFS-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001388745216 1352971877 /nfs/dbraw/zinc/97/18/77/1352971877.db2.gz MLTRTOZIGJHRRL-XIRDDKMYSA-N 2 1 335.879 2.526 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001390616219 1354212185 /nfs/dbraw/zinc/21/21/85/1354212185.db2.gz QAKNJFAFYRCXSX-HUUCEWRRSA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676402 1387279204 /nfs/dbraw/zinc/27/92/04/1387279204.db2.gz XFVZUJSAZSEZGJ-CVEARBPZSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676408 1387279339 /nfs/dbraw/zinc/27/93/39/1387279339.db2.gz XFVZUJSAZSEZGJ-HZPDHXFCSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197648 1355853743 /nfs/dbraw/zinc/85/37/43/1355853743.db2.gz RDRJTBUEJNQYHF-GDBMZVCRSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001401297672 1362644491 /nfs/dbraw/zinc/64/44/91/1362644491.db2.gz PFFXUMZXNOPRAQ-HOTGVXAUSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1C)C(C)(C)C ZINC001394832411 1358132143 /nfs/dbraw/zinc/13/21/43/1358132143.db2.gz HPHLLBWAWINREC-OAHLLOKOSA-N 2 1 340.899 2.845 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001400103663 1361738833 /nfs/dbraw/zinc/73/88/33/1361738833.db2.gz KJSDUYPNURGBPJ-IAGOWNOFSA-N 2 1 337.895 2.772 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437357698 1387579280 /nfs/dbraw/zinc/57/92/80/1387579280.db2.gz MQIQYEJAZYQONA-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437357698 1387579286 /nfs/dbraw/zinc/57/92/86/1387579286.db2.gz MQIQYEJAZYQONA-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001401299420 1362644813 /nfs/dbraw/zinc/64/48/13/1362644813.db2.gz RFMWWCOUSXHXIM-BBRMVZONSA-N 2 1 338.883 2.551 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001401302036 1362647248 /nfs/dbraw/zinc/64/72/48/1362647248.db2.gz VKLAASNQFMKFKS-UKRRQHHQSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001402766445 1364014577 /nfs/dbraw/zinc/01/45/77/1364014577.db2.gz KAZYIZGOUCNWFT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001402766445 1364014581 /nfs/dbraw/zinc/01/45/81/1364014581.db2.gz KAZYIZGOUCNWFT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766445 1364014584 /nfs/dbraw/zinc/01/45/84/1364014584.db2.gz KAZYIZGOUCNWFT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766445 1364014587 /nfs/dbraw/zinc/01/45/87/1364014587.db2.gz KAZYIZGOUCNWFT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771001 1364019040 /nfs/dbraw/zinc/01/90/40/1364019040.db2.gz CTPNUOZDVSKTFI-DOTOQJQBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001405479665 1366230328 /nfs/dbraw/zinc/23/03/28/1366230328.db2.gz GCMKALQCMGERSE-KRWDZBQOSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001405534148 1366276214 /nfs/dbraw/zinc/27/62/14/1366276214.db2.gz BILKERPZJAUMRN-QGZVFWFLSA-N 2 1 335.879 2.629 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001406999379 1368301836 /nfs/dbraw/zinc/30/18/36/1368301836.db2.gz JZIYVUGYNOQYBY-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001406999379 1368301842 /nfs/dbraw/zinc/30/18/42/1368301842.db2.gz JZIYVUGYNOQYBY-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026472 1368344831 /nfs/dbraw/zinc/34/48/31/1368344831.db2.gz JQZSVEJCXPZFRB-SJLPKXTDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001407026472 1368344838 /nfs/dbraw/zinc/34/48/38/1368344838.db2.gz JQZSVEJCXPZFRB-SJLPKXTDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)CN1CCC[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001407290186 1368713733 /nfs/dbraw/zinc/71/37/33/1368713733.db2.gz COTILDZFLODWBG-QGZVFWFLSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001407290186 1368713739 /nfs/dbraw/zinc/71/37/39/1368713739.db2.gz COTILDZFLODWBG-QGZVFWFLSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001407290186 1368713744 /nfs/dbraw/zinc/71/37/44/1368713744.db2.gz COTILDZFLODWBG-QGZVFWFLSA-N 2 1 329.916 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001407872500 1369333093 /nfs/dbraw/zinc/33/30/93/1369333093.db2.gz ZNOIJKDQOBASPF-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001418169204 1373718633 /nfs/dbraw/zinc/71/86/33/1373718633.db2.gz RSTRVMMINWYBCL-HNNXBMFYSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001421109323 1378138303 /nfs/dbraw/zinc/13/83/03/1378138303.db2.gz SGXJWVGQMNHMFX-ZBFHGGJFSA-N 2 1 338.883 2.693 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001421109321 1378138647 /nfs/dbraw/zinc/13/86/47/1378138647.db2.gz SGXJWVGQMNHMFX-HOCLYGCPSA-N 2 1 338.883 2.693 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001421842026 1379221912 /nfs/dbraw/zinc/22/19/12/1379221912.db2.gz SZIUEQGLDBXMID-MRXNPFEDSA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001422125100 1379648733 /nfs/dbraw/zinc/64/87/33/1379648733.db2.gz JUTKHSDVAHMFDM-HUUCEWRRSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001422125100 1379648740 /nfs/dbraw/zinc/64/87/40/1379648740.db2.gz JUTKHSDVAHMFDM-HUUCEWRRSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001422125100 1379648747 /nfs/dbraw/zinc/64/87/47/1379648747.db2.gz JUTKHSDVAHMFDM-HUUCEWRRSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001422125100 1379648751 /nfs/dbraw/zinc/64/87/51/1379648751.db2.gz JUTKHSDVAHMFDM-HUUCEWRRSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125102 1379650085 /nfs/dbraw/zinc/65/00/85/1379650085.db2.gz JUTKHSDVAHMFDM-LSDHHAIUSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125102 1379650091 /nfs/dbraw/zinc/65/00/91/1379650091.db2.gz JUTKHSDVAHMFDM-LSDHHAIUSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125102 1379650096 /nfs/dbraw/zinc/65/00/96/1379650096.db2.gz JUTKHSDVAHMFDM-LSDHHAIUSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125102 1379650102 /nfs/dbraw/zinc/65/01/02/1379650102.db2.gz JUTKHSDVAHMFDM-LSDHHAIUSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001423385211 1381887237 /nfs/dbraw/zinc/88/72/37/1381887237.db2.gz YFHXQLZSAPDOPX-SFHVURJKSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001423385211 1381887240 /nfs/dbraw/zinc/88/72/40/1381887240.db2.gz YFHXQLZSAPDOPX-SFHVURJKSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440702369 1389827347 /nfs/dbraw/zinc/82/73/47/1389827347.db2.gz MVUPOAUWMJVMFP-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001447769193 1391753985 /nfs/dbraw/zinc/75/39/85/1391753985.db2.gz DJHIIDGBTUXAJR-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769193 1391753989 /nfs/dbraw/zinc/75/39/89/1391753989.db2.gz DJHIIDGBTUXAJR-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769193 1391753993 /nfs/dbraw/zinc/75/39/93/1391753993.db2.gz DJHIIDGBTUXAJR-SJORKVTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001448261987 1392058256 /nfs/dbraw/zinc/05/82/56/1392058256.db2.gz RZIMBNHAARSOMZ-QGZVFWFLSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001448261987 1392058261 /nfs/dbraw/zinc/05/82/61/1392058261.db2.gz RZIMBNHAARSOMZ-QGZVFWFLSA-N 2 1 341.927 2.976 20 30 EFEDMP C=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001506980561 1406542996 /nfs/dbraw/zinc/54/29/96/1406542996.db2.gz VBTHZMZYKDWJBG-MOPGFXCFSA-N 2 1 329.488 2.884 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001496504259 1400778726 /nfs/dbraw/zinc/77/87/26/1400778726.db2.gz KTLCXBDALSNBFG-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865570 1401061412 /nfs/dbraw/zinc/06/14/12/1401061412.db2.gz XQORXWNZUQOBNN-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865570 1401061418 /nfs/dbraw/zinc/06/14/18/1401061418.db2.gz XQORXWNZUQOBNN-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865570 1401061423 /nfs/dbraw/zinc/06/14/23/1401061423.db2.gz XQORXWNZUQOBNN-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001501183497 1403480911 /nfs/dbraw/zinc/48/09/11/1403480911.db2.gz ACCNHTSSPQGTRP-FHWLQOOXSA-N 2 1 335.536 2.949 20 30 EFEDMP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001505399576 1404553716 /nfs/dbraw/zinc/55/37/16/1404553716.db2.gz RSVRNTKLIHUPNK-INIZCTEOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566771835 1415770067 /nfs/dbraw/zinc/77/00/67/1415770067.db2.gz BAMYJGRTUQYYFM-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001724741204 1424969337 /nfs/dbraw/zinc/96/93/37/1424969337.db2.gz NDPKLGWYHVNTMN-IBGZPJMESA-N 2 1 331.504 2.897 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(=C)C)CC1 ZINC000969156200 712943280 /nfs/dbraw/zinc/94/32/80/712943280.db2.gz MDUQFFUCLJKFPX-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156479 712945463 /nfs/dbraw/zinc/94/54/63/712945463.db2.gz UCSGVZASTXMTEC-LJQANCHMSA-N 2 1 341.499 2.746 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502340 713087914 /nfs/dbraw/zinc/08/79/14/713087914.db2.gz JAZXEHVIMGRTTO-BFYDXBDKSA-N 2 1 339.911 2.773 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952531 713096382 /nfs/dbraw/zinc/09/63/82/713096382.db2.gz TXUGIUKRMXSUDM-GOSISDBHSA-N 2 1 344.503 2.672 20 30 EFEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969683430 713217598 /nfs/dbraw/zinc/21/75/98/713217598.db2.gz ZYXYXTMRTGKDFN-SJORKVTESA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535761 717895062 /nfs/dbraw/zinc/89/50/62/717895062.db2.gz WZAJSEWNSQDZLY-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906691 713435410 /nfs/dbraw/zinc/43/54/10/713435410.db2.gz IHGDCNDAWVIXDJ-JYJNAYRXSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154096 713536486 /nfs/dbraw/zinc/53/64/86/713536486.db2.gz PJNBGQLSOPDVAX-RTBURBONSA-N 2 1 335.536 2.709 20 30 EFEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326238 713636530 /nfs/dbraw/zinc/63/65/30/713636530.db2.gz OLYLJAVHTDFIAT-APWZRJJASA-N 2 1 333.520 2.796 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021285047 713732682 /nfs/dbraw/zinc/73/26/82/713732682.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021285047 713732684 /nfs/dbraw/zinc/73/26/84/713732684.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021285047 713732686 /nfs/dbraw/zinc/73/26/86/713732686.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021285047 713732687 /nfs/dbraw/zinc/73/26/87/713732687.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021285047 713732690 /nfs/dbraw/zinc/73/26/90/713732690.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 1 345.531 2.632 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980216141 717929190 /nfs/dbraw/zinc/92/91/90/717929190.db2.gz QNIANKLTLDOITF-GVDBMIGSSA-N 2 1 342.487 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980218411 717933053 /nfs/dbraw/zinc/93/30/53/717933053.db2.gz NDVVELYBOCEDPS-ZCNNSNEGSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621958 714191632 /nfs/dbraw/zinc/19/16/32/714191632.db2.gz GAPMGAYPXPIVLG-HKUYNNGSSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571010 717961574 /nfs/dbraw/zinc/96/15/74/717961574.db2.gz QQYAQTDYUHFZGO-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682831 714296786 /nfs/dbraw/zinc/29/67/86/714296786.db2.gz URXYZNAMCZRJNF-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682831 714296789 /nfs/dbraw/zinc/29/67/89/714296789.db2.gz URXYZNAMCZRJNF-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541080 714700395 /nfs/dbraw/zinc/70/03/95/714700395.db2.gz VABGMHHYKCDOLH-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541080 714700396 /nfs/dbraw/zinc/70/03/96/714700396.db2.gz VABGMHHYKCDOLH-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681596 714879338 /nfs/dbraw/zinc/87/93/38/714879338.db2.gz FOEKCCXIIAVUFK-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681596 714879340 /nfs/dbraw/zinc/87/93/40/714879340.db2.gz FOEKCCXIIAVUFK-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681596 714879341 /nfs/dbraw/zinc/87/93/41/714879341.db2.gz FOEKCCXIIAVUFK-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681596 714879342 /nfs/dbraw/zinc/87/93/42/714879342.db2.gz FOEKCCXIIAVUFK-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615447 718027859 /nfs/dbraw/zinc/02/78/59/718027859.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366382 /nfs/dbraw/zinc/36/63/82/715366382.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366386 /nfs/dbraw/zinc/36/63/86/715366386.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366391 /nfs/dbraw/zinc/36/63/91/715366391.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366396 /nfs/dbraw/zinc/36/63/96/715366396.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366399 /nfs/dbraw/zinc/36/63/99/715366399.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947129 715368990 /nfs/dbraw/zinc/36/89/90/715368990.db2.gz NKFQCLZXTDBVEO-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947129 715368995 /nfs/dbraw/zinc/36/89/95/715368995.db2.gz NKFQCLZXTDBVEO-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947129 715369001 /nfs/dbraw/zinc/36/90/01/715369001.db2.gz NKFQCLZXTDBVEO-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947140 715370046 /nfs/dbraw/zinc/37/00/46/715370046.db2.gz NKFQCLZXTDBVEO-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947140 715370050 /nfs/dbraw/zinc/37/00/50/715370050.db2.gz NKFQCLZXTDBVEO-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947140 715370055 /nfs/dbraw/zinc/37/00/55/715370055.db2.gz NKFQCLZXTDBVEO-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370094 /nfs/dbraw/zinc/37/00/94/715370094.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370097 /nfs/dbraw/zinc/37/00/97/715370097.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370101 /nfs/dbraw/zinc/37/01/01/715370101.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411171 715704783 /nfs/dbraw/zinc/70/47/83/715704783.db2.gz NQVUVCXZNBHWAW-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411171 715704788 /nfs/dbraw/zinc/70/47/88/715704788.db2.gz NQVUVCXZNBHWAW-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411171 715704793 /nfs/dbraw/zinc/70/47/93/715704793.db2.gz NQVUVCXZNBHWAW-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411172 715704832 /nfs/dbraw/zinc/70/48/32/715704832.db2.gz NQVUVCXZNBHWAW-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411172 715704837 /nfs/dbraw/zinc/70/48/37/715704837.db2.gz NQVUVCXZNBHWAW-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411172 715704841 /nfs/dbraw/zinc/70/48/41/715704841.db2.gz NQVUVCXZNBHWAW-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411781 715706595 /nfs/dbraw/zinc/70/65/95/715706595.db2.gz SUUDOXZAGGDQDQ-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411781 715706601 /nfs/dbraw/zinc/70/66/01/715706601.db2.gz SUUDOXZAGGDQDQ-INIZCTEOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972337733 715714487 /nfs/dbraw/zinc/71/44/87/715714487.db2.gz BQKWQBWLPRUCFI-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461448 715891583 /nfs/dbraw/zinc/89/15/83/715891583.db2.gz ZEWBLOYIJFNTEF-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461448 715891588 /nfs/dbraw/zinc/89/15/88/715891588.db2.gz ZEWBLOYIJFNTEF-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442662 716218593 /nfs/dbraw/zinc/21/85/93/716218593.db2.gz WZDDBYYTQIRGEI-SFHVURJKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977440710 716236484 /nfs/dbraw/zinc/23/64/84/716236484.db2.gz PUTYHJXVQIFLIJ-SFHVURJKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638209 716274420 /nfs/dbraw/zinc/27/44/20/716274420.db2.gz VYYMQPRYRCIKLK-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638209 716274423 /nfs/dbraw/zinc/27/44/23/716274423.db2.gz VYYMQPRYRCIKLK-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977500401 716278206 /nfs/dbraw/zinc/27/82/06/716278206.db2.gz QXUFHIIUXQXVPD-KRWDZBQOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500401 716278210 /nfs/dbraw/zinc/27/82/10/716278210.db2.gz QXUFHIIUXQXVPD-KRWDZBQOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500401 716278213 /nfs/dbraw/zinc/27/82/13/716278213.db2.gz QXUFHIIUXQXVPD-KRWDZBQOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978644048 716325833 /nfs/dbraw/zinc/32/58/33/716325833.db2.gz ZCVYHQRYLIWNAK-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978644048 716325835 /nfs/dbraw/zinc/32/58/35/716325835.db2.gz ZCVYHQRYLIWNAK-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978644048 716325840 /nfs/dbraw/zinc/32/58/40/716325840.db2.gz ZCVYHQRYLIWNAK-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552207 716351929 /nfs/dbraw/zinc/35/19/29/716351929.db2.gz PCJMRQROHLTVEM-KRWDZBQOSA-N 2 1 335.879 2.647 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552207 716351933 /nfs/dbraw/zinc/35/19/33/716351933.db2.gz PCJMRQROHLTVEM-KRWDZBQOSA-N 2 1 335.879 2.647 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542044 716373930 /nfs/dbraw/zinc/37/39/30/716373930.db2.gz HEIKEYNAKCUHGO-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542044 716373936 /nfs/dbraw/zinc/37/39/36/716373936.db2.gz HEIKEYNAKCUHGO-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542044 716373944 /nfs/dbraw/zinc/37/39/44/716373944.db2.gz HEIKEYNAKCUHGO-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541168 716382443 /nfs/dbraw/zinc/38/24/43/716382443.db2.gz NLGXDLPQARQJIG-DLBZAZTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541168 716382447 /nfs/dbraw/zinc/38/24/47/716382447.db2.gz NLGXDLPQARQJIG-DLBZAZTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541168 716382453 /nfs/dbraw/zinc/38/24/53/716382453.db2.gz NLGXDLPQARQJIG-DLBZAZTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541168 716382459 /nfs/dbraw/zinc/38/24/59/716382459.db2.gz NLGXDLPQARQJIG-DLBZAZTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641523 716433420 /nfs/dbraw/zinc/43/34/20/716433420.db2.gz NXFAOYQTHXMATD-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414103 716439243 /nfs/dbraw/zinc/43/92/43/716439243.db2.gz MTZLCFIBZPPZJW-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414103 716439244 /nfs/dbraw/zinc/43/92/44/716439244.db2.gz MTZLCFIBZPPZJW-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414103 716439246 /nfs/dbraw/zinc/43/92/46/716439246.db2.gz MTZLCFIBZPPZJW-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654439 716446279 /nfs/dbraw/zinc/44/62/79/716446279.db2.gz LPTRZOTZBNLZSW-SFHVURJKSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450893 716483440 /nfs/dbraw/zinc/48/34/40/716483440.db2.gz KFMZOSZWBDJJJF-SFHVURJKSA-N 2 1 333.520 2.657 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450891 716483589 /nfs/dbraw/zinc/48/35/89/716483589.db2.gz KFMZOSZWBDJJJF-GOSISDBHSA-N 2 1 333.520 2.657 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453689 716487794 /nfs/dbraw/zinc/48/77/94/716487794.db2.gz FUCJJWIDLPOHQD-HNNXBMFYSA-N 2 1 346.862 2.837 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455690 716494902 /nfs/dbraw/zinc/49/49/02/716494902.db2.gz OYWPYBKYVOXAOP-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455690 716494904 /nfs/dbraw/zinc/49/49/04/716494904.db2.gz OYWPYBKYVOXAOP-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455690 716494907 /nfs/dbraw/zinc/49/49/07/716494907.db2.gz OYWPYBKYVOXAOP-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455690 716494908 /nfs/dbraw/zinc/49/49/08/716494908.db2.gz OYWPYBKYVOXAOP-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023548099 716613106 /nfs/dbraw/zinc/61/31/06/716613106.db2.gz BCBPRSWMVKECGA-SJORKVTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023548099 716613110 /nfs/dbraw/zinc/61/31/10/716613110.db2.gz BCBPRSWMVKECGA-SJORKVTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023548099 716613113 /nfs/dbraw/zinc/61/31/13/716613113.db2.gz BCBPRSWMVKECGA-SJORKVTESA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023548099 716613116 /nfs/dbraw/zinc/61/31/16/716613116.db2.gz BCBPRSWMVKECGA-SJORKVTESA-N 2 1 341.927 2.689 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552245 716615069 /nfs/dbraw/zinc/61/50/69/716615069.db2.gz BQHVYGLDNMCKTC-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552245 716615073 /nfs/dbraw/zinc/61/50/73/716615073.db2.gz BQHVYGLDNMCKTC-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552245 716615076 /nfs/dbraw/zinc/61/50/76/716615076.db2.gz BQHVYGLDNMCKTC-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023586128 716662550 /nfs/dbraw/zinc/66/25/50/716662550.db2.gz UVGVJYMTAZGJMF-JKSUJKDBSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023586128 716662556 /nfs/dbraw/zinc/66/25/56/716662556.db2.gz UVGVJYMTAZGJMF-JKSUJKDBSA-N 2 1 330.476 2.624 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC001027601659 716916473 /nfs/dbraw/zinc/91/64/73/716916473.db2.gz GCQZIMUZVKELCJ-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027601659 716916474 /nfs/dbraw/zinc/91/64/74/716916474.db2.gz GCQZIMUZVKELCJ-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027601659 716916478 /nfs/dbraw/zinc/91/64/78/716916478.db2.gz GCQZIMUZVKELCJ-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761511 716974059 /nfs/dbraw/zinc/97/40/59/716974059.db2.gz BNWPNGXIEUBZIQ-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763200 716975245 /nfs/dbraw/zinc/97/52/45/716975245.db2.gz DVNKTSKZNNRWJK-QGZVFWFLSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763371 716975797 /nfs/dbraw/zinc/97/57/97/716975797.db2.gz LBQCDLOMJVRJKJ-MRXNPFEDSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763371 716975801 /nfs/dbraw/zinc/97/58/01/716975801.db2.gz LBQCDLOMJVRJKJ-MRXNPFEDSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930350 717244630 /nfs/dbraw/zinc/24/46/30/717244630.db2.gz OAMRNNZNSVQWLI-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930350 717244635 /nfs/dbraw/zinc/24/46/35/717244635.db2.gz OAMRNNZNSVQWLI-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930350 717244641 /nfs/dbraw/zinc/24/46/41/717244641.db2.gz OAMRNNZNSVQWLI-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484864 717326198 /nfs/dbraw/zinc/32/61/98/717326198.db2.gz CPMFBERISZXATL-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484864 717326200 /nfs/dbraw/zinc/32/62/00/717326200.db2.gz CPMFBERISZXATL-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490810 717343332 /nfs/dbraw/zinc/34/33/32/717343332.db2.gz MOKZYEUDJVDYJY-IAGOWNOFSA-N 2 1 335.879 2.575 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979975553 717630017 /nfs/dbraw/zinc/63/00/17/717630017.db2.gz BPTAQEJGAMFXLZ-GBESFXJTSA-N 2 1 345.531 2.655 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083327 717728624 /nfs/dbraw/zinc/72/86/24/717728624.db2.gz IBPZLAIHCIDUTO-GVDBMIGSSA-N 2 1 338.455 2.659 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441021 717740466 /nfs/dbraw/zinc/74/04/66/717740466.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441021 717740472 /nfs/dbraw/zinc/74/04/72/717740472.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441021 717740478 /nfs/dbraw/zinc/74/04/78/717740478.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980140176 717784187 /nfs/dbraw/zinc/78/41/87/717784187.db2.gz JZWGNOZWULDECT-OKZBNKHCSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478107 717790616 /nfs/dbraw/zinc/79/06/16/717790616.db2.gz QUTUELUSOSLGCS-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478107 717790618 /nfs/dbraw/zinc/79/06/18/717790618.db2.gz QUTUELUSOSLGCS-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478107 717790621 /nfs/dbraw/zinc/79/06/21/717790621.db2.gz QUTUELUSOSLGCS-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980144967 717793425 /nfs/dbraw/zinc/79/34/25/717793425.db2.gz RWCPYZAVPUVURA-RCCFBDPRSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479942 717805839 /nfs/dbraw/zinc/80/58/39/717805839.db2.gz UKNHQFFGNBSNAH-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479942 717805842 /nfs/dbraw/zinc/80/58/42/717805842.db2.gz UKNHQFFGNBSNAH-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154021 717810345 /nfs/dbraw/zinc/81/03/45/717810345.db2.gz FUUNGCRUXCVEQT-RYQLBKOJSA-N 2 1 345.487 2.748 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980155190 717811679 /nfs/dbraw/zinc/81/16/79/717811679.db2.gz IAAYVOQKKUBYHX-SZMVWBNQSA-N 2 1 345.487 2.748 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980166097 717830243 /nfs/dbraw/zinc/83/02/43/717830243.db2.gz DVHNZUOASPZKFB-OKZBNKHCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980166098 717830338 /nfs/dbraw/zinc/83/03/38/717830338.db2.gz DVHNZUOASPZKFB-RCCFBDPRSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885570 717831929 /nfs/dbraw/zinc/83/19/29/717831929.db2.gz HEXZKUKIACAJKN-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885570 717831932 /nfs/dbraw/zinc/83/19/32/717831932.db2.gz HEXZKUKIACAJKN-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885570 717831934 /nfs/dbraw/zinc/83/19/34/717831934.db2.gz HEXZKUKIACAJKN-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885574 717832350 /nfs/dbraw/zinc/83/23/50/717832350.db2.gz HEXZKUKIACAJKN-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885574 717832356 /nfs/dbraw/zinc/83/23/56/717832356.db2.gz HEXZKUKIACAJKN-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885574 717832359 /nfs/dbraw/zinc/83/23/59/717832359.db2.gz HEXZKUKIACAJKN-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520356 717855405 /nfs/dbraw/zinc/85/54/05/717855405.db2.gz IWAXWUAUDDSRCR-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980183168 717867818 /nfs/dbraw/zinc/86/78/18/717867818.db2.gz GBNRXWOPRQMPJQ-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980183168 717867820 /nfs/dbraw/zinc/86/78/20/717867820.db2.gz GBNRXWOPRQMPJQ-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985805867 724899563 /nfs/dbraw/zinc/89/95/63/724899563.db2.gz ZBZQGRZHMWAZAG-GASCZTMLSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814045 718174475 /nfs/dbraw/zinc/17/44/75/718174475.db2.gz NIRHLXIWNWJKOD-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985805867 724899566 /nfs/dbraw/zinc/89/95/66/724899566.db2.gz ZBZQGRZHMWAZAG-GASCZTMLSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985805867 724899569 /nfs/dbraw/zinc/89/95/69/724899569.db2.gz ZBZQGRZHMWAZAG-GASCZTMLSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241323 718461227 /nfs/dbraw/zinc/46/12/27/718461227.db2.gz WIVGWWJDJIRDHF-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241323 718461228 /nfs/dbraw/zinc/46/12/28/718461228.db2.gz WIVGWWJDJIRDHF-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241323 718461230 /nfs/dbraw/zinc/46/12/30/718461230.db2.gz WIVGWWJDJIRDHF-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246776 718466906 /nfs/dbraw/zinc/46/69/06/718466906.db2.gz HCLVTXVBRWZOKY-ZWKOTPCHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258218 718474213 /nfs/dbraw/zinc/47/42/13/718474213.db2.gz DPQGGTPWXQRHRJ-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985499740 724508911 /nfs/dbraw/zinc/50/89/11/724508911.db2.gz LXPCIQXZBFUGLX-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260710 718488530 /nfs/dbraw/zinc/48/85/30/718488530.db2.gz YWJBBGAZVWISGM-RBUKOAKNSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275234 718513310 /nfs/dbraw/zinc/51/33/10/718513310.db2.gz VAQMERSIKLTECL-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275649 718514481 /nfs/dbraw/zinc/51/44/81/718514481.db2.gz YADJFZQNXYSPIP-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289364 718521309 /nfs/dbraw/zinc/52/13/09/718521309.db2.gz ZHBZGZKEJZCNDK-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287647 718524196 /nfs/dbraw/zinc/52/41/96/718524196.db2.gz FNVAWIIYBOPJIT-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294128 718536091 /nfs/dbraw/zinc/53/60/91/718536091.db2.gz IKSRIJWDUTYXEG-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294128 718536095 /nfs/dbraw/zinc/53/60/95/718536095.db2.gz IKSRIJWDUTYXEG-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301855 718540693 /nfs/dbraw/zinc/54/06/93/718540693.db2.gz QGIUDYVGJCLVDE-WOJBJXKFSA-N 2 1 345.531 2.731 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981515646 718776892 /nfs/dbraw/zinc/77/68/92/718776892.db2.gz YFFZWQYIEXKIPK-UHFFFAOYSA-N 2 1 326.444 2.757 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433288 718837410 /nfs/dbraw/zinc/83/74/10/718837410.db2.gz MFPFXTGAUMGVEU-HOTGVXAUSA-N 2 1 347.528 2.663 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450946 718881027 /nfs/dbraw/zinc/88/10/27/718881027.db2.gz OBTBYRKXKAYQEJ-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454294 718897778 /nfs/dbraw/zinc/89/77/78/718897778.db2.gz WZNNVPQUGOHUQP-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461116 718921582 /nfs/dbraw/zinc/92/15/82/718921582.db2.gz PGEUZPMJFDRNQO-CVEARBPZSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461116 718921584 /nfs/dbraw/zinc/92/15/84/718921584.db2.gz PGEUZPMJFDRNQO-CVEARBPZSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461122 718921771 /nfs/dbraw/zinc/92/17/71/718921771.db2.gz PGEUZPMJFDRNQO-JKSUJKDBSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461122 718921772 /nfs/dbraw/zinc/92/17/72/718921772.db2.gz PGEUZPMJFDRNQO-JKSUJKDBSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687796 718943652 /nfs/dbraw/zinc/94/36/52/718943652.db2.gz PRAPYGBVYFAVGT-UHFFFAOYSA-N 2 1 343.515 2.905 20 30 EFEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000170907990 718981701 /nfs/dbraw/zinc/98/17/01/718981701.db2.gz UVIPSZBJQYQFDT-SFHVURJKSA-N 2 1 332.492 2.893 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486745 719002023 /nfs/dbraw/zinc/00/20/23/719002023.db2.gz WJTXJRAMTCRVMH-HOTGVXAUSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028043 /nfs/dbraw/zinc/02/80/43/719028043.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028046 /nfs/dbraw/zinc/02/80/46/719028046.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028050 /nfs/dbraw/zinc/02/80/50/719028050.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3CC)C2)C1 ZINC000981781184 719038801 /nfs/dbraw/zinc/03/88/01/719038801.db2.gz WOPNCQGHPIFESS-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781184 719038807 /nfs/dbraw/zinc/03/88/07/719038807.db2.gz WOPNCQGHPIFESS-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781184 719038812 /nfs/dbraw/zinc/03/88/12/719038812.db2.gz WOPNCQGHPIFESS-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981803189 719057162 /nfs/dbraw/zinc/05/71/62/719057162.db2.gz UIGIPPGJEFNMNT-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981803189 719057164 /nfs/dbraw/zinc/05/71/64/719057164.db2.gz UIGIPPGJEFNMNT-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803189 719057166 /nfs/dbraw/zinc/05/71/66/719057166.db2.gz UIGIPPGJEFNMNT-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803189 719057169 /nfs/dbraw/zinc/05/71/69/719057169.db2.gz UIGIPPGJEFNMNT-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813812 719062242 /nfs/dbraw/zinc/06/22/42/719062242.db2.gz RATVEKIDHBXLEK-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813812 719062247 /nfs/dbraw/zinc/06/22/47/719062247.db2.gz RATVEKIDHBXLEK-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813812 719062253 /nfs/dbraw/zinc/06/22/53/719062253.db2.gz RATVEKIDHBXLEK-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813302 719073518 /nfs/dbraw/zinc/07/35/18/719073518.db2.gz IPGPLZDMVABVOZ-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813302 719073523 /nfs/dbraw/zinc/07/35/23/719073523.db2.gz IPGPLZDMVABVOZ-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981843223 719121225 /nfs/dbraw/zinc/12/12/25/719121225.db2.gz XBFUEZFIOHEHGN-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000981843223 719121228 /nfs/dbraw/zinc/12/12/28/719121228.db2.gz XBFUEZFIOHEHGN-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981843223 719121231 /nfs/dbraw/zinc/12/12/31/719121231.db2.gz XBFUEZFIOHEHGN-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593863 719190119 /nfs/dbraw/zinc/19/01/19/719190119.db2.gz WLDCYIGSFZBFTR-XLIONFOSSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598174 719199593 /nfs/dbraw/zinc/19/95/93/719199593.db2.gz VPCGSNPAUATJGD-CVEARBPZSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598174 719199595 /nfs/dbraw/zinc/19/95/95/719199595.db2.gz VPCGSNPAUATJGD-CVEARBPZSA-N 2 1 330.476 2.554 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629678 719254416 /nfs/dbraw/zinc/25/44/16/719254416.db2.gz IQBRSLFRUBGVRA-AZUAARDMSA-N 2 1 345.531 2.515 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630939 719258615 /nfs/dbraw/zinc/25/86/15/719258615.db2.gz XDEVIKGXTILSIX-MSOLQXFVSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238285 719297828 /nfs/dbraw/zinc/29/78/28/719297828.db2.gz GQMNJJAKUBYNOM-IAGOWNOFSA-N 2 1 337.508 2.709 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238285 719297831 /nfs/dbraw/zinc/29/78/31/719297831.db2.gz GQMNJJAKUBYNOM-IAGOWNOFSA-N 2 1 337.508 2.709 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062642 719516719 /nfs/dbraw/zinc/51/67/19/719516719.db2.gz APEHLYYSBUZCSE-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062642 719516721 /nfs/dbraw/zinc/51/67/21/719516721.db2.gz APEHLYYSBUZCSE-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062642 719516725 /nfs/dbraw/zinc/51/67/25/719516725.db2.gz APEHLYYSBUZCSE-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115796 719572882 /nfs/dbraw/zinc/57/28/82/719572882.db2.gz BMFRWFROVBQINI-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116800 719574511 /nfs/dbraw/zinc/57/45/11/719574511.db2.gz SUZNPKVPPJZIKG-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163538 719607465 /nfs/dbraw/zinc/60/74/65/719607465.db2.gz FKURKTXERZHUCT-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275434 719773187 /nfs/dbraw/zinc/77/31/87/719773187.db2.gz GRHLUBIKXPBNLA-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295741 719837177 /nfs/dbraw/zinc/83/71/77/719837177.db2.gz CDDNTFJIASRDMA-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295741 719837183 /nfs/dbraw/zinc/83/71/83/719837183.db2.gz CDDNTFJIASRDMA-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295741 719837185 /nfs/dbraw/zinc/83/71/85/719837185.db2.gz CDDNTFJIASRDMA-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296790 719841124 /nfs/dbraw/zinc/84/11/24/719841124.db2.gz ZZNSXVKLWBFTMK-AHRSYUTCSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296790 719841129 /nfs/dbraw/zinc/84/11/29/719841129.db2.gz ZZNSXVKLWBFTMK-AHRSYUTCSA-N 2 1 342.487 2.507 20 30 EFEDMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262781803 724624688 /nfs/dbraw/zinc/62/46/88/724624688.db2.gz LGFGGXLESUJISJ-SJLPKXTDSA-N 2 1 339.487 2.526 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254564 719890457 /nfs/dbraw/zinc/89/04/57/719890457.db2.gz XGDXXGCQSNKLOV-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982429268 720049720 /nfs/dbraw/zinc/04/97/20/720049720.db2.gz PDTYCKSIOXRTOR-BGYRXZFFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332884 720372459 /nfs/dbraw/zinc/37/24/59/720372459.db2.gz FSMICQNFEDUJGQ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001026569716 720762889 /nfs/dbraw/zinc/76/28/89/720762889.db2.gz FWHKSNSYBLUNGK-UHFFFAOYSA-N 2 1 338.883 2.776 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610236 720820432 /nfs/dbraw/zinc/82/04/32/720820432.db2.gz IEWZKYKSTDMMLI-GPANFISMSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ccnc3C(C)C)C[C@@]2(C)C1 ZINC000982598786 720932100 /nfs/dbraw/zinc/93/21/00/720932100.db2.gz KXYWKTIXTJUDSP-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598786 720932105 /nfs/dbraw/zinc/93/21/05/720932105.db2.gz KXYWKTIXTJUDSP-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598786 720932109 /nfs/dbraw/zinc/93/21/09/720932109.db2.gz KXYWKTIXTJUDSP-BGYRXZFFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982670655 721074396 /nfs/dbraw/zinc/07/43/96/721074396.db2.gz HYCNKRCQOAVMMV-OYRHEFFESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974641992 721231174 /nfs/dbraw/zinc/23/11/74/721231174.db2.gz IMLGMSYSKAMGSE-OAHLLOKOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974641992 721231178 /nfs/dbraw/zinc/23/11/78/721231178.db2.gz IMLGMSYSKAMGSE-OAHLLOKOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594167 721231961 /nfs/dbraw/zinc/23/19/61/721231961.db2.gz DBKAJWUWZBTQRK-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594167 721231966 /nfs/dbraw/zinc/23/19/66/721231966.db2.gz DBKAJWUWZBTQRK-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594167 721231971 /nfs/dbraw/zinc/23/19/71/721231971.db2.gz DBKAJWUWZBTQRK-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595479 721262296 /nfs/dbraw/zinc/26/22/96/721262296.db2.gz ZMKKEUKYBFRZCY-DOTOQJQBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595479 721262301 /nfs/dbraw/zinc/26/23/01/721262301.db2.gz ZMKKEUKYBFRZCY-DOTOQJQBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595479 721262303 /nfs/dbraw/zinc/26/23/03/721262303.db2.gz ZMKKEUKYBFRZCY-DOTOQJQBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595479 721262309 /nfs/dbraw/zinc/26/23/09/721262309.db2.gz ZMKKEUKYBFRZCY-DOTOQJQBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833328 721307874 /nfs/dbraw/zinc/30/78/74/721307874.db2.gz IMKRZUUMOJUQAI-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833556 721308974 /nfs/dbraw/zinc/30/89/74/721308974.db2.gz NREQBJKFNXXHQN-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833556 721308978 /nfs/dbraw/zinc/30/89/78/721308978.db2.gz NREQBJKFNXXHQN-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833556 721308981 /nfs/dbraw/zinc/30/89/81/721308981.db2.gz NREQBJKFNXXHQN-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)CN1C[C@@H](NC(=O)c2ccc3cncn3c2)C(C)(C)C1 ZINC000974827073 721462646 /nfs/dbraw/zinc/46/26/46/721462646.db2.gz JQHNWNDWKOTQHP-OAHLLOKOSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681709 724791626 /nfs/dbraw/zinc/79/16/26/724791626.db2.gz BIJPDKALHUNZHH-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985700752 724811262 /nfs/dbraw/zinc/81/12/62/724811262.db2.gz FYTGCFLUTNQQOO-UHFFFAOYSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985695571 724807940 /nfs/dbraw/zinc/80/79/40/724807940.db2.gz ZZJYSPVDVULBHD-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985695571 724807943 /nfs/dbraw/zinc/80/79/43/724807943.db2.gz ZZJYSPVDVULBHD-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805628 722008525 /nfs/dbraw/zinc/00/85/25/722008525.db2.gz RKNXQYGXUBYBMV-KRWDZBQOSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805628 722008526 /nfs/dbraw/zinc/00/85/26/722008526.db2.gz RKNXQYGXUBYBMV-KRWDZBQOSA-N 2 1 349.906 2.595 20 30 EFEDMP C[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[NH+](C)C ZINC000895300020 724007236 /nfs/dbraw/zinc/00/72/36/724007236.db2.gz RHKATQLRIPDFNS-INIZCTEOSA-N 2 1 325.460 2.894 20 30 EFEDMP N#Cc1cccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000895792502 724317283 /nfs/dbraw/zinc/31/72/83/724317283.db2.gz LCZYZWLMTWALMB-RBUKOAKNSA-N 2 1 332.451 2.907 20 30 EFEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000985439687 724367490 /nfs/dbraw/zinc/36/74/90/724367490.db2.gz WYLRUZSPTROTOP-MRXNPFEDSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000985439687 724367491 /nfs/dbraw/zinc/36/74/91/724367491.db2.gz WYLRUZSPTROTOP-MRXNPFEDSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000985744307 724849546 /nfs/dbraw/zinc/84/95/46/724849546.db2.gz YDRROAVYYIOWNT-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985803818 724898257 /nfs/dbraw/zinc/89/82/57/724898257.db2.gz KQUIEEOEQLMNHF-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP CCOCCC[N@H+]1CCC(=Nn2cc(Br)cn2)[C@@H](C)C1 ZINC000752743721 725443621 /nfs/dbraw/zinc/44/36/21/725443621.db2.gz XJNKDVMZKLCDIM-LBPRGKRZSA-N 2 1 343.269 2.618 20 30 EFEDMP CCOCCC[N@@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000752743721 725443622 /nfs/dbraw/zinc/44/36/22/725443622.db2.gz XJNKDVMZKLCDIM-LBPRGKRZSA-N 2 1 343.269 2.618 20 30 EFEDMP CCOCCC[N@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000752743721 725443623 /nfs/dbraw/zinc/44/36/23/725443623.db2.gz XJNKDVMZKLCDIM-LBPRGKRZSA-N 2 1 343.269 2.618 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967051 725458948 /nfs/dbraw/zinc/45/89/48/725458948.db2.gz LZNQKCVLFRXNJA-WMZOPIPTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987105059 725508946 /nfs/dbraw/zinc/50/89/46/725508946.db2.gz WRGKMRLQXWXKHJ-HUUCEWRRSA-N 2 1 338.883 2.728 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136559 725554215 /nfs/dbraw/zinc/55/42/15/725554215.db2.gz KERDFAZABAZJLG-JPLJXNOCSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136559 725554218 /nfs/dbraw/zinc/55/42/18/725554218.db2.gz KERDFAZABAZJLG-JPLJXNOCSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136559 725554220 /nfs/dbraw/zinc/55/42/20/725554220.db2.gz KERDFAZABAZJLG-JPLJXNOCSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992153272 725566491 /nfs/dbraw/zinc/56/64/91/725566491.db2.gz UVAYDWDPQKLMHZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992153272 725566492 /nfs/dbraw/zinc/56/64/92/725566492.db2.gz UVAYDWDPQKLMHZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992153272 725566496 /nfs/dbraw/zinc/56/64/96/725566496.db2.gz UVAYDWDPQKLMHZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262222 725655324 /nfs/dbraw/zinc/65/53/24/725655324.db2.gz RCIOIFDYFFGBCX-QFBILLFUSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262222 725655326 /nfs/dbraw/zinc/65/53/26/725655326.db2.gz RCIOIFDYFFGBCX-QFBILLFUSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992317674 725711285 /nfs/dbraw/zinc/71/12/85/725711285.db2.gz PCKPEUWPNFWTEM-UYAOXDASSA-N 2 1 327.472 2.661 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992404772 725781034 /nfs/dbraw/zinc/78/10/34/725781034.db2.gz MMVCXWKBNJYLGX-FPOVZHCZSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630181 727348419 /nfs/dbraw/zinc/34/84/19/727348419.db2.gz KLNDHFGPJHOZAJ-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993804540 727526724 /nfs/dbraw/zinc/52/67/24/727526724.db2.gz LCOZKFJLICEJMP-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201936 727622150 /nfs/dbraw/zinc/62/21/50/727622150.db2.gz INOVZAWVTILCSZ-QFBILLFUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203255 727622366 /nfs/dbraw/zinc/62/23/66/727622366.db2.gz KSLOOBPBRXTSSP-LPHOPBHVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000917070966 727763976 /nfs/dbraw/zinc/76/39/76/727763976.db2.gz KZJIXOWJGSIITB-UHFFFAOYSA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994474013 727763988 /nfs/dbraw/zinc/76/39/88/727763988.db2.gz OYCATADSVIVCEB-AEFFLSMTSA-N 2 1 345.487 2.727 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994474013 727763990 /nfs/dbraw/zinc/76/39/90/727763990.db2.gz OYCATADSVIVCEB-AEFFLSMTSA-N 2 1 345.487 2.727 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098901 728299969 /nfs/dbraw/zinc/29/99/69/728299969.db2.gz CNPZIEKGXFQLCO-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174098 728343746 /nfs/dbraw/zinc/34/37/46/728343746.db2.gz UDJOMAGIUKFXKE-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174099 728343752 /nfs/dbraw/zinc/34/37/52/728343752.db2.gz UDJOMAGIUKFXKE-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918934 728360274 /nfs/dbraw/zinc/36/02/74/728360274.db2.gz XDMYNKWQAOFPRH-IBGZPJMESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](C)C1 ZINC000942285947 728390237 /nfs/dbraw/zinc/39/02/37/728390237.db2.gz GIHOVRCUJIQKNL-MLGOLLRUSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078632 728400332 /nfs/dbraw/zinc/40/03/32/728400332.db2.gz HFTRNSPLMMGOEJ-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078632 728400333 /nfs/dbraw/zinc/40/03/33/728400333.db2.gz HFTRNSPLMMGOEJ-INIZCTEOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991861678 728490421 /nfs/dbraw/zinc/49/04/21/728490421.db2.gz NFPGWOQMERFRSM-SJLPKXTDSA-N 2 1 344.846 2.814 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991861678 728490424 /nfs/dbraw/zinc/49/04/24/728490424.db2.gz NFPGWOQMERFRSM-SJLPKXTDSA-N 2 1 344.846 2.814 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(OC)ccc2ccccc21 ZINC000170911123 728494502 /nfs/dbraw/zinc/49/45/02/728494502.db2.gz UJWJOHNVONTBGQ-MRXNPFEDSA-N 2 1 340.471 2.737 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829549 728529627 /nfs/dbraw/zinc/52/96/27/728529627.db2.gz PQKQPSSWDZLAPJ-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829549 728529629 /nfs/dbraw/zinc/52/96/29/728529629.db2.gz PQKQPSSWDZLAPJ-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829549 728529631 /nfs/dbraw/zinc/52/96/31/728529631.db2.gz PQKQPSSWDZLAPJ-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898632 728639414 /nfs/dbraw/zinc/63/94/14/728639414.db2.gz KMVDHTJTYDULMO-PMACEKPBSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898632 728639416 /nfs/dbraw/zinc/63/94/16/728639416.db2.gz KMVDHTJTYDULMO-PMACEKPBSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898632 728639417 /nfs/dbraw/zinc/63/94/17/728639417.db2.gz KMVDHTJTYDULMO-PMACEKPBSA-N 2 1 341.499 2.762 20 30 EFEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570476981 1086266435 /nfs/dbraw/zinc/26/64/35/1086266435.db2.gz NIICHSALRPUZIS-MOPGFXCFSA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570476981 1086266442 /nfs/dbraw/zinc/26/64/42/1086266442.db2.gz NIICHSALRPUZIS-MOPGFXCFSA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCC[N@H+]1CC ZINC001574836112 1088114734 /nfs/dbraw/zinc/11/47/34/1088114734.db2.gz UYPRXNNQBZBDMI-SJORKVTESA-N 2 1 346.523 2.589 20 30 EFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892437 1088142732 /nfs/dbraw/zinc/14/27/32/1088142732.db2.gz DQVZLTUDPMODEM-FBBABVLZSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574902027 1088144891 /nfs/dbraw/zinc/14/48/91/1088144891.db2.gz ZDEPVUHIQVSMBJ-RBUKOAKNSA-N 2 1 329.488 2.793 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961095 1090733715 /nfs/dbraw/zinc/73/37/15/1090733715.db2.gz AWMHRCKTUFZWME-MOPGFXCFSA-N 2 1 349.482 2.780 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961668 1090733764 /nfs/dbraw/zinc/73/37/64/1090733764.db2.gz PRMSDQGMKNGCCS-FPOVZHCZSA-N 2 1 349.482 2.910 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC001580076009 1090765160 /nfs/dbraw/zinc/76/51/60/1090765160.db2.gz NGVPAGAZIWCJJP-UHFFFAOYSA-N 2 1 328.460 2.728 20 30 EFEDMP N#Cc1ccnc(C[NH+]2CCC3(CC2)C[C@@H]([NH3+])c2ccccc2O3)c1 ZINC001580080683 1090766762 /nfs/dbraw/zinc/76/67/62/1090766762.db2.gz BKYAWPCZACPMIT-GOSISDBHSA-N 2 1 334.423 2.770 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453787 1093035562 /nfs/dbraw/zinc/03/55/62/1093035562.db2.gz BHRFLVSEFAMQBD-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461748 1093329080 /nfs/dbraw/zinc/32/90/80/1093329080.db2.gz QFGCQUNUXYFLDI-SFHVURJKSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516524 1093549141 /nfs/dbraw/zinc/54/91/41/1093549141.db2.gz ONRULAHPRNZNRY-JPLJXNOCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615692 1094309743 /nfs/dbraw/zinc/30/97/43/1094309743.db2.gz BMRJBRSXRYQSOK-VQTJNVASSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588278 1094370200 /nfs/dbraw/zinc/37/02/00/1094370200.db2.gz JALKDQLVHDAEDK-YDZRNGNQSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112530010 1094772599 /nfs/dbraw/zinc/77/25/99/1094772599.db2.gz ZAHZWGBSHVOPEL-HBFSDRIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301914 1095140819 /nfs/dbraw/zinc/14/08/19/1095140819.db2.gz KKULCTHXCXZXFM-CEXWTWQISA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303007 1095161116 /nfs/dbraw/zinc/16/11/16/1095161116.db2.gz FCMFBYRPJWQFHX-KBAYOESNSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303007 1095161125 /nfs/dbraw/zinc/16/11/25/1095161125.db2.gz FCMFBYRPJWQFHX-KBAYOESNSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303007 1095161133 /nfs/dbraw/zinc/16/11/33/1095161133.db2.gz FCMFBYRPJWQFHX-KBAYOESNSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087311790 1095252528 /nfs/dbraw/zinc/25/25/28/1095252528.db2.gz URUGWKUZXGPZAQ-CEXWTWQISA-N 2 1 347.547 2.898 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753457 1095672857 /nfs/dbraw/zinc/67/28/57/1095672857.db2.gz BRFZMLPKTKSBBB-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753675 1095677127 /nfs/dbraw/zinc/67/71/27/1095677127.db2.gz NLJUQDQSVJPQPL-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703101 1095930799 /nfs/dbraw/zinc/93/07/99/1095930799.db2.gz UZTMMWOYZONPFA-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087437400 1096021582 /nfs/dbraw/zinc/02/15/82/1096021582.db2.gz PUCHTRYXGHVLIC-MISYRCLQSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087437400 1096021593 /nfs/dbraw/zinc/02/15/93/1096021593.db2.gz PUCHTRYXGHVLIC-MISYRCLQSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087437400 1096021612 /nfs/dbraw/zinc/02/16/12/1096021612.db2.gz PUCHTRYXGHVLIC-MISYRCLQSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087437400 1096021623 /nfs/dbraw/zinc/02/16/23/1096021623.db2.gz PUCHTRYXGHVLIC-MISYRCLQSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012099 /nfs/dbraw/zinc/01/20/99/1099012099.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012111 /nfs/dbraw/zinc/01/21/11/1099012111.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012122 /nfs/dbraw/zinc/01/21/22/1099012122.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067155 1099541641 /nfs/dbraw/zinc/54/16/41/1099541641.db2.gz PLDLNAKUQFRFBU-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067662 1099555499 /nfs/dbraw/zinc/55/54/99/1099555499.db2.gz OFBGYPHKZYWJCZ-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573102 1100541035 /nfs/dbraw/zinc/54/10/35/1100541035.db2.gz UABZKLYEOXKIJU-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573102 1100541040 /nfs/dbraw/zinc/54/10/40/1100541040.db2.gz UABZKLYEOXKIJU-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573102 1100541044 /nfs/dbraw/zinc/54/10/44/1100541044.db2.gz UABZKLYEOXKIJU-YZGWKJHDSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395620 1100556803 /nfs/dbraw/zinc/55/68/03/1100556803.db2.gz BMBGYPNSNICTIS-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601372 1100580044 /nfs/dbraw/zinc/58/00/44/1100580044.db2.gz NZXMOILPCOIHMS-IXDOHACOSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601372 1100580047 /nfs/dbraw/zinc/58/00/47/1100580047.db2.gz NZXMOILPCOIHMS-IXDOHACOSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601372 1100580052 /nfs/dbraw/zinc/58/00/52/1100580052.db2.gz NZXMOILPCOIHMS-IXDOHACOSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601372 1100580056 /nfs/dbraw/zinc/58/00/56/1100580056.db2.gz NZXMOILPCOIHMS-IXDOHACOSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601996 1100580495 /nfs/dbraw/zinc/58/04/95/1100580495.db2.gz TUTARBVRCDGGDI-BBWFWOEESA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601996 1100580500 /nfs/dbraw/zinc/58/05/00/1100580500.db2.gz TUTARBVRCDGGDI-BBWFWOEESA-N 2 1 330.476 2.696 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586742 /nfs/dbraw/zinc/58/67/42/1100586742.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 1 343.515 2.554 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087620265 1100601679 /nfs/dbraw/zinc/60/16/79/1100601679.db2.gz XWPBYLQEJCMTTN-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087620265 1100601687 /nfs/dbraw/zinc/60/16/87/1100601687.db2.gz XWPBYLQEJCMTTN-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671372 1100651638 /nfs/dbraw/zinc/65/16/38/1100651638.db2.gz AHABVFVMZFDBMX-VQTJNVASSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)[C@H]1CC ZINC001087704867 1100676243 /nfs/dbraw/zinc/67/62/43/1100676243.db2.gz LIQPGRYVHZPSJN-YTQUADARSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704867 1100676249 /nfs/dbraw/zinc/67/62/49/1100676249.db2.gz LIQPGRYVHZPSJN-YTQUADARSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704867 1100676252 /nfs/dbraw/zinc/67/62/52/1100676252.db2.gz LIQPGRYVHZPSJN-YTQUADARSA-N 2 1 344.503 2.689 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699247 1100678564 /nfs/dbraw/zinc/67/85/64/1100678564.db2.gz JGHSPSORACTMNJ-ZCNNSNEGSA-N 2 1 345.531 2.776 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699247 1100678565 /nfs/dbraw/zinc/67/85/65/1100678565.db2.gz JGHSPSORACTMNJ-ZCNNSNEGSA-N 2 1 345.531 2.776 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966671 1101094820 /nfs/dbraw/zinc/09/48/20/1101094820.db2.gz PDHZMTSWFQUVFV-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967398 1101097586 /nfs/dbraw/zinc/09/75/86/1101097586.db2.gz VDRMPZGGIQGRSH-QYZOEREBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967398 1101097594 /nfs/dbraw/zinc/09/75/94/1101097594.db2.gz VDRMPZGGIQGRSH-QYZOEREBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967398 1101097599 /nfs/dbraw/zinc/09/75/99/1101097599.db2.gz VDRMPZGGIQGRSH-QYZOEREBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426612 1101584424 /nfs/dbraw/zinc/58/44/24/1101584424.db2.gz VNORCZFTNAEWPA-MSOLQXFVSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129859 1101623827 /nfs/dbraw/zinc/62/38/27/1101623827.db2.gz KGCGFRHHTNTXRW-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088212858 1101891616 /nfs/dbraw/zinc/89/16/16/1101891616.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212858 1101891629 /nfs/dbraw/zinc/89/16/29/1101891629.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212858 1101891645 /nfs/dbraw/zinc/89/16/45/1101891645.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236275 1102112665 /nfs/dbraw/zinc/11/26/65/1102112665.db2.gz JEZJFUIWPGQJKK-ZWKOTPCHSA-N 2 1 335.536 2.807 20 30 EFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104370271 1102343507 /nfs/dbraw/zinc/34/35/07/1102343507.db2.gz SVFSGBPWPHIXCJ-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264739 1102394404 /nfs/dbraw/zinc/39/44/04/1102394404.db2.gz CBVDNVRCWUBMJD-OIISXLGYSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264778 1102395478 /nfs/dbraw/zinc/39/54/78/1102395478.db2.gz DLGOYSXDCWIPHW-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001266876578 1102571003 /nfs/dbraw/zinc/57/10/03/1102571003.db2.gz CDYVKSRDSPLFEA-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001088314779 1102865528 /nfs/dbraw/zinc/86/55/28/1102865528.db2.gz GSCBPLZRLLZOBS-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329904 1102941983 /nfs/dbraw/zinc/94/19/83/1102941983.db2.gz KAVHGDZSZVDRBG-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168371411 1103099145 /nfs/dbraw/zinc/09/91/45/1103099145.db2.gz FWJFDDDBOSNNKE-UHFFFAOYSA-N 2 1 347.503 2.581 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369636 1103203644 /nfs/dbraw/zinc/20/36/44/1103203644.db2.gz OREGXGALDQLEQO-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271954719 1103244430 /nfs/dbraw/zinc/24/44/30/1103244430.db2.gz YJGMKDCIYYHMPA-KDURUIRLSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001088390561 1103381151 /nfs/dbraw/zinc/38/11/51/1103381151.db2.gz PVJGACVHQYOZKH-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088430639 1103580695 /nfs/dbraw/zinc/58/06/95/1103580695.db2.gz UVWHSKBKFQWWJW-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881181 1103987277 /nfs/dbraw/zinc/98/72/77/1103987277.db2.gz HMNRNRWTCKFCMB-YESZJQIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881181 1103987282 /nfs/dbraw/zinc/98/72/82/1103987282.db2.gz HMNRNRWTCKFCMB-YESZJQIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881181 1103987292 /nfs/dbraw/zinc/98/72/92/1103987292.db2.gz HMNRNRWTCKFCMB-YESZJQIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881181 1103987304 /nfs/dbraw/zinc/98/73/04/1103987304.db2.gz HMNRNRWTCKFCMB-YESZJQIVSA-N 2 1 339.911 2.535 20 30 EFEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001105429238 1103990121 /nfs/dbraw/zinc/99/01/21/1103990121.db2.gz RRXBCTZMZRLXDK-RVWIWJKTSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378213 1104115732 /nfs/dbraw/zinc/11/57/32/1104115732.db2.gz RHXIYLZHOJKBMY-OAQYLSRUSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378848 1104128020 /nfs/dbraw/zinc/12/80/20/1104128020.db2.gz XDZRSSTXPNZQIC-NRFANRHFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001105445328 1104193279 /nfs/dbraw/zinc/19/32/79/1104193279.db2.gz YWAFRNUSVOBEEQ-TYKWCNGQSA-N 2 1 343.515 2.711 20 30 EFEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001105446539 1104204538 /nfs/dbraw/zinc/20/45/38/1104204538.db2.gz NMIFFEZUFOFCRX-TYKWCNGQSA-N 2 1 343.515 2.711 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588813 /nfs/dbraw/zinc/58/88/13/1104588813.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588819 /nfs/dbraw/zinc/58/88/19/1104588819.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588820 /nfs/dbraw/zinc/58/88/20/1104588820.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001665001287 1104610749 /nfs/dbraw/zinc/61/07/49/1104610749.db2.gz TVJJHBDEHYPGTD-ZWKOTPCHSA-N 2 1 344.503 2.773 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264112534 1105598724 /nfs/dbraw/zinc/59/87/24/1105598724.db2.gz RHIXUUCJOGBTOC-ZIAGYGMSSA-N 2 1 334.464 2.551 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518086 1105864722 /nfs/dbraw/zinc/86/47/22/1105864722.db2.gz QKCBDEAVWNHVHY-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105560875 1105939039 /nfs/dbraw/zinc/93/90/39/1105939039.db2.gz FBCQGSBESFYYSE-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C1CCC(C(=O)N2CCC[N@@H+](C3CCN(CC)CC3)CC2)CC1 ZINC000897998661 1106174086 /nfs/dbraw/zinc/17/40/86/1106174086.db2.gz VXOPKNBOHTWCRS-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C1CCC(C(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)CC1 ZINC000897998661 1106174095 /nfs/dbraw/zinc/17/40/95/1106174095.db2.gz VXOPKNBOHTWCRS-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)N(C)C)CC1 ZINC000989459526 1106288959 /nfs/dbraw/zinc/28/89/59/1106288959.db2.gz XPMBDLORWVWGFA-HXUWFJFHSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459526 1106288960 /nfs/dbraw/zinc/28/89/60/1106288960.db2.gz XPMBDLORWVWGFA-HXUWFJFHSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459526 1106288961 /nfs/dbraw/zinc/28/89/61/1106288961.db2.gz XPMBDLORWVWGFA-HXUWFJFHSA-N 2 1 329.488 2.574 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CCC([NH+](C)C)CC3)C2)C1 ZINC001168313359 1106603270 /nfs/dbraw/zinc/60/32/70/1106603270.db2.gz AFSSRIFLJUNSKU-AFMYVXGZSA-N 2 1 349.519 2.970 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022709 1107089353 /nfs/dbraw/zinc/08/93/53/1107089353.db2.gz VYYCNYAAUBAPCC-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022709 1107089369 /nfs/dbraw/zinc/08/93/69/1107089369.db2.gz VYYCNYAAUBAPCC-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022709 1107089382 /nfs/dbraw/zinc/08/93/82/1107089382.db2.gz VYYCNYAAUBAPCC-NLWGTHIKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106414 1107503985 /nfs/dbraw/zinc/50/39/85/1107503985.db2.gz FLBYNCCDIFMFBL-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040249938 1107646087 /nfs/dbraw/zinc/64/60/87/1107646087.db2.gz GKQQMADULMFBGG-AZUAARDMSA-N 2 1 335.536 2.853 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106150022 1108657138 /nfs/dbraw/zinc/65/71/38/1108657138.db2.gz ZQGQRAYPKWODKK-NCXUSEDFSA-N 2 1 337.552 2.981 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812188 1109104145 /nfs/dbraw/zinc/10/41/45/1109104145.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812188 1109104148 /nfs/dbraw/zinc/10/41/48/1109104148.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812188 1109104151 /nfs/dbraw/zinc/10/41/51/1109104151.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248590 1111216563 /nfs/dbraw/zinc/21/65/63/1111216563.db2.gz UATCMONAELMOIJ-GUDVDZBRSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349993 1111442916 /nfs/dbraw/zinc/44/29/16/1111442916.db2.gz VAZADPPBDBLDBB-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229252 1111564016 /nfs/dbraw/zinc/56/40/16/1111564016.db2.gz ICMLIISLKLXSAO-ROUUACIJSA-N 2 1 335.536 2.737 20 30 EFEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240938 1111682619 /nfs/dbraw/zinc/68/26/19/1111682619.db2.gz WIIMUBWAKDYTGA-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240938 1111682623 /nfs/dbraw/zinc/68/26/23/1111682623.db2.gz WIIMUBWAKDYTGA-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240938 1111682628 /nfs/dbraw/zinc/68/26/28/1111682628.db2.gz WIIMUBWAKDYTGA-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839759 1111902227 /nfs/dbraw/zinc/90/22/27/1111902227.db2.gz NVZVZHYCRMALBU-QZTJIDSGSA-N 2 1 325.541 2.983 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874270 1111942687 /nfs/dbraw/zinc/94/26/87/1111942687.db2.gz ABNHLNUZKOCSOX-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874269 1111942873 /nfs/dbraw/zinc/94/28/73/1111942873.db2.gz ABNHLNUZKOCSOX-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405645 1112077502 /nfs/dbraw/zinc/07/75/02/1112077502.db2.gz CXJROAAJLCWPNV-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405645 1112077503 /nfs/dbraw/zinc/07/75/03/1112077503.db2.gz CXJROAAJLCWPNV-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089420111 1112096645 /nfs/dbraw/zinc/09/66/45/1112096645.db2.gz JSVFNHHAFZWICR-HNNXBMFYSA-N 2 1 326.444 2.969 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427152 1112117880 /nfs/dbraw/zinc/11/78/80/1112117880.db2.gz OLQOHMVZCOXYJD-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427152 1112117881 /nfs/dbraw/zinc/11/78/81/1112117881.db2.gz OLQOHMVZCOXYJD-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427152 1112117883 /nfs/dbraw/zinc/11/78/83/1112117883.db2.gz OLQOHMVZCOXYJD-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)CC(C)(C)C1 ZINC001089472662 1112193446 /nfs/dbraw/zinc/19/34/46/1112193446.db2.gz MIJUEDGWFJEGHZ-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472662 1112193447 /nfs/dbraw/zinc/19/34/47/1112193447.db2.gz MIJUEDGWFJEGHZ-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC(C)(C)C1 ZINC001089472662 1112193448 /nfs/dbraw/zinc/19/34/48/1112193448.db2.gz MIJUEDGWFJEGHZ-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536308 1112275785 /nfs/dbraw/zinc/27/57/85/1112275785.db2.gz BBOXWZDQRKHCDU-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534388 1112280043 /nfs/dbraw/zinc/28/00/43/1112280043.db2.gz RBJOFMKZJDMHKT-SFHVURJKSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089538612 1112284134 /nfs/dbraw/zinc/28/41/34/1112284134.db2.gz XLCPFKOCBQWIKY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538612 1112284135 /nfs/dbraw/zinc/28/41/35/1112284135.db2.gz XLCPFKOCBQWIKY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538612 1112284137 /nfs/dbraw/zinc/28/41/37/1112284137.db2.gz XLCPFKOCBQWIKY-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642425 1112436429 /nfs/dbraw/zinc/43/64/29/1112436429.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642425 1112436431 /nfs/dbraw/zinc/43/64/31/1112436431.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642425 1112436433 /nfs/dbraw/zinc/43/64/33/1112436433.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649644 1112478803 /nfs/dbraw/zinc/47/88/03/1112478803.db2.gz MECDDRGOINDOJM-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649644 1112478807 /nfs/dbraw/zinc/47/88/07/1112478807.db2.gz MECDDRGOINDOJM-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649644 1112478811 /nfs/dbraw/zinc/47/88/11/1112478811.db2.gz MECDDRGOINDOJM-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650272 1112499655 /nfs/dbraw/zinc/49/96/55/1112499655.db2.gz XXDQRYMUMLFNBV-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650272 1112499658 /nfs/dbraw/zinc/49/96/58/1112499658.db2.gz XXDQRYMUMLFNBV-DLBZAZTESA-N 2 1 344.503 2.943 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717853 1112935152 /nfs/dbraw/zinc/93/51/52/1112935152.db2.gz GOMUDYXHYSDEDO-IBGZPJMESA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001089726788 1112965096 /nfs/dbraw/zinc/96/50/96/1112965096.db2.gz RBWYWIRZCCXVEL-PXNSSMCTSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089726788 1112965098 /nfs/dbraw/zinc/96/50/98/1112965098.db2.gz RBWYWIRZCCXVEL-PXNSSMCTSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089726788 1112965100 /nfs/dbraw/zinc/96/51/00/1112965100.db2.gz RBWYWIRZCCXVEL-PXNSSMCTSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484822558 1117758446 /nfs/dbraw/zinc/75/84/46/1117758446.db2.gz GSWRDMTWBPSXOE-VQTJNVASSA-N 2 1 343.515 2.836 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001484941855 1117866601 /nfs/dbraw/zinc/86/66/01/1117866601.db2.gz LHMAKDSCFWPULW-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001484941855 1117866606 /nfs/dbraw/zinc/86/66/06/1117866606.db2.gz LHMAKDSCFWPULW-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001484941855 1117866610 /nfs/dbraw/zinc/86/66/10/1117866610.db2.gz LHMAKDSCFWPULW-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001484941855 1117866614 /nfs/dbraw/zinc/86/66/14/1117866614.db2.gz LHMAKDSCFWPULW-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272718462 1119172167 /nfs/dbraw/zinc/17/21/67/1119172167.db2.gz IJSCRGWOKSXTOU-FQEVSTJZSA-N 2 1 333.520 2.896 20 30 EFEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272718462 1119172169 /nfs/dbraw/zinc/17/21/69/1119172169.db2.gz IJSCRGWOKSXTOU-FQEVSTJZSA-N 2 1 333.520 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943288252 1119400675 /nfs/dbraw/zinc/40/06/75/1119400675.db2.gz LSWIPSFWJGFVCJ-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943288252 1119400677 /nfs/dbraw/zinc/40/06/77/1119400677.db2.gz LSWIPSFWJGFVCJ-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877730 1119758881 /nfs/dbraw/zinc/75/88/81/1119758881.db2.gz PIIXMOVZERUVBW-RHSMWYFYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877730 1119758883 /nfs/dbraw/zinc/75/88/83/1119758883.db2.gz PIIXMOVZERUVBW-RHSMWYFYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167329 1119975126 /nfs/dbraw/zinc/97/51/26/1119975126.db2.gz COIFZGSOVBPSKW-DOTOQJQBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167329 1119975128 /nfs/dbraw/zinc/97/51/28/1119975128.db2.gz COIFZGSOVBPSKW-DOTOQJQBSA-N 2 1 330.476 2.554 20 30 EFEDMP [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262489768 240356705 /nfs/dbraw/zinc/35/67/05/240356705.db2.gz WMOOZNKXTLVSNE-LLVKDONJSA-N 2 1 339.321 2.523 20 30 EFEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262768321 240366616 /nfs/dbraw/zinc/36/66/16/240366616.db2.gz LGBRUHMVXSOUPK-MRXNPFEDSA-N 2 1 344.459 2.591 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104172501 238859613 /nfs/dbraw/zinc/85/96/13/238859613.db2.gz HGEQRNMDYWRWLJ-NSHDSACASA-N 2 1 342.365 2.796 20 30 EFEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)CCC)cc2)CC1 ZINC000263687762 201206919 /nfs/dbraw/zinc/20/69/19/201206919.db2.gz HZGPRTLUVJTJTQ-UHFFFAOYSA-N 2 1 341.499 2.700 20 30 EFEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000263687762 201206921 /nfs/dbraw/zinc/20/69/21/201206921.db2.gz HZGPRTLUVJTJTQ-UHFFFAOYSA-N 2 1 341.499 2.700 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274784957 201270319 /nfs/dbraw/zinc/27/03/19/201270319.db2.gz ARDVYWKYDPDCRP-QUCCMNQESA-N 2 1 343.515 2.911 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274784957 201270322 /nfs/dbraw/zinc/27/03/22/201270322.db2.gz ARDVYWKYDPDCRP-QUCCMNQESA-N 2 1 343.515 2.911 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811368 201271769 /nfs/dbraw/zinc/27/17/69/201271769.db2.gz HTZRNYGHVDUDAP-QUCCMNQESA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811368 201271773 /nfs/dbraw/zinc/27/17/73/201271773.db2.gz HTZRNYGHVDUDAP-QUCCMNQESA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811364 201271904 /nfs/dbraw/zinc/27/19/04/201271904.db2.gz HTZRNYGHVDUDAP-ICSRJNTNSA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811364 201271908 /nfs/dbraw/zinc/27/19/08/201271908.db2.gz HTZRNYGHVDUDAP-ICSRJNTNSA-N 2 1 341.499 2.687 20 30 EFEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548156 239072455 /nfs/dbraw/zinc/07/24/55/239072455.db2.gz WPISUGABDZEOHV-INIZCTEOSA-N 2 1 338.455 2.834 20 30 EFEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548156 239072462 /nfs/dbraw/zinc/07/24/62/239072462.db2.gz WPISUGABDZEOHV-INIZCTEOSA-N 2 1 338.455 2.834 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654399 201306430 /nfs/dbraw/zinc/30/64/30/201306430.db2.gz SSITYCIWHRWDNN-ROUUACIJSA-N 2 1 330.472 2.850 20 30 EFEDMP C=CCc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(OC)c1O ZINC000278070801 201307202 /nfs/dbraw/zinc/30/72/02/201307202.db2.gz ZGXGNTICHPYMLK-INIZCTEOSA-N 2 1 348.487 2.720 20 30 EFEDMP C=CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000276462726 201294563 /nfs/dbraw/zinc/29/45/63/201294563.db2.gz QSULORYWHVJJOD-UHFFFAOYSA-N 2 1 333.501 2.682 20 30 EFEDMP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277283 240093310 /nfs/dbraw/zinc/09/33/10/240093310.db2.gz DAAGJEBNWNBPPJ-FFZOFVMBSA-N 2 1 327.472 2.815 20 30 EFEDMP CC[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261863274 240330082 /nfs/dbraw/zinc/33/00/82/240330082.db2.gz ZPCAMCWVAPMDMJ-SMDDNHRTSA-N 2 1 340.924 2.939 20 30 EFEDMP CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261984904 240334504 /nfs/dbraw/zinc/33/45/04/240334504.db2.gz PUGODJCCSRWHHD-CRAIPNDOSA-N 2 1 344.503 2.547 20 30 EFEDMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262781799 240370894 /nfs/dbraw/zinc/37/08/94/240370894.db2.gz LGFGGXLESUJISJ-FUHWJXTLSA-N 2 1 339.487 2.526 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000329318840 241347139 /nfs/dbraw/zinc/34/71/39/241347139.db2.gz IIGTVFJCMFAAJL-MRXNPFEDSA-N 2 1 333.480 2.610 20 30 EFEDMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000329318840 241347140 /nfs/dbraw/zinc/34/71/40/241347140.db2.gz IIGTVFJCMFAAJL-MRXNPFEDSA-N 2 1 333.480 2.610 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358161393 242115263 /nfs/dbraw/zinc/11/52/63/242115263.db2.gz XKWIXNVRQXFCAE-SJORKVTESA-N 2 1 336.524 2.589 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521148 242123986 /nfs/dbraw/zinc/12/39/86/242123986.db2.gz XDVCKKDSAWMUGW-INIZCTEOSA-N 2 1 347.528 2.727 20 30 EFEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000359211772 242145686 /nfs/dbraw/zinc/14/56/86/242145686.db2.gz MJNFPGLRPOGPLO-MRXNPFEDSA-N 2 1 340.475 2.601 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361763700 242231940 /nfs/dbraw/zinc/23/19/40/242231940.db2.gz JFIFPOSFNORDEE-AEFFLSMTSA-N 2 1 336.524 2.541 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361763701 242232016 /nfs/dbraw/zinc/23/20/16/242232016.db2.gz JFIFPOSFNORDEE-FUHWJXTLSA-N 2 1 336.524 2.541 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361763702 242232144 /nfs/dbraw/zinc/23/21/44/242232144.db2.gz JFIFPOSFNORDEE-SJLPKXTDSA-N 2 1 336.524 2.541 20 30 EFEDMP N#CCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143603 242375513 /nfs/dbraw/zinc/37/55/13/242375513.db2.gz KAVCCESEYXTQPO-HXUWFJFHSA-N 2 1 326.488 2.572 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451246 203001528 /nfs/dbraw/zinc/00/15/28/203001528.db2.gz LAENBUABNKSUGE-CALCHBBNSA-N 2 1 327.472 2.879 20 30 EFEDMP C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000414810067 244362377 /nfs/dbraw/zinc/36/23/77/244362377.db2.gz WPQBKCTUVSQNAI-UHFFFAOYSA-N 2 1 343.265 2.849 20 30 EFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425542467 247127398 /nfs/dbraw/zinc/12/73/98/247127398.db2.gz YDDPAXNPEVDWPF-MRXNPFEDSA-N 2 1 342.487 2.540 20 30 EFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425542467 247127401 /nfs/dbraw/zinc/12/74/01/247127401.db2.gz YDDPAXNPEVDWPF-MRXNPFEDSA-N 2 1 342.487 2.540 20 30 EFEDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878658 250134800 /nfs/dbraw/zinc/13/48/00/250134800.db2.gz UHYXTICZLOMIKH-HXUWFJFHSA-N 2 1 340.515 2.941 20 30 EFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896885 250138616 /nfs/dbraw/zinc/13/86/16/250138616.db2.gz LQCHKXDHUROJKD-MBOZVWFJSA-N 2 1 326.488 2.577 20 30 EFEDMP C=CCC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCCC1 ZINC000449576070 251071197 /nfs/dbraw/zinc/07/11/97/251071197.db2.gz PVPBVEFFJPOBNV-UHFFFAOYSA-N 2 1 329.492 2.597 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849575 251176888 /nfs/dbraw/zinc/17/68/88/251176888.db2.gz NWNUZCXMTUADMT-LJQANCHMSA-N 2 1 333.520 2.940 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360037 285250469 /nfs/dbraw/zinc/25/04/69/285250469.db2.gz YKOFENPWCLRTIZ-GOSISDBHSA-N 2 1 332.467 2.545 20 30 EFEDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000181875674 533642455 /nfs/dbraw/zinc/64/24/55/533642455.db2.gz CLUHITXGSRXPJB-OXQOHEQNSA-N 2 1 338.499 2.737 20 30 EFEDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000181875674 533642467 /nfs/dbraw/zinc/64/24/67/533642467.db2.gz CLUHITXGSRXPJB-OXQOHEQNSA-N 2 1 338.499 2.737 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343557443 145237787 /nfs/dbraw/zinc/23/77/87/145237787.db2.gz VRXSUDUHFTWPRE-YLJYHZDGSA-N 2 1 329.488 2.827 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)c(F)c1 ZINC000344124820 145373752 /nfs/dbraw/zinc/37/37/52/145373752.db2.gz HLIFZFCAIREMKY-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1cccc(C#N)c1 ZINC000344160137 145381915 /nfs/dbraw/zinc/38/19/15/145381915.db2.gz DOKAARNTCPZMNY-GOSISDBHSA-N 2 1 328.504 2.969 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264092871 286323487 /nfs/dbraw/zinc/32/34/87/286323487.db2.gz LNXQZPHVQZTUJP-HNNXBMFYSA-N 2 1 348.491 2.943 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138764 287276503 /nfs/dbraw/zinc/27/65/03/287276503.db2.gz UVHDVZLVZLPXIN-APWZRJJASA-N 2 1 342.487 2.698 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151578 /nfs/dbraw/zinc/15/15/78/266151578.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151581 /nfs/dbraw/zinc/15/15/81/266151581.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151584 /nfs/dbraw/zinc/15/15/84/266151584.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 2 1 328.460 2.691 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000272760492 266374868 /nfs/dbraw/zinc/37/48/68/266374868.db2.gz PHNAPRZIVQIBQQ-IBGZPJMESA-N 2 1 339.414 2.554 20 30 EFEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039917 267104314 /nfs/dbraw/zinc/10/43/14/267104314.db2.gz BRRIJPGHCKLHKY-INIZCTEOSA-N 2 1 348.878 2.956 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852924 268065887 /nfs/dbraw/zinc/06/58/87/268065887.db2.gz IYDHKADTXODADK-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000058171451 276518244 /nfs/dbraw/zinc/51/82/44/276518244.db2.gz MENIUUDJORKZGL-QAPCUYQASA-N 2 1 332.492 2.925 20 30 EFEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156345 279236953 /nfs/dbraw/zinc/23/69/53/279236953.db2.gz CPIBBLLFJDWNQW-MRXNPFEDSA-N 2 1 340.471 2.693 20 30 EFEDMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567111132 319139837 /nfs/dbraw/zinc/13/98/37/319139837.db2.gz JYIHJBXAPDYHAH-UHFFFAOYSA-N 2 1 340.475 2.735 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000089152516 472390077 /nfs/dbraw/zinc/39/00/77/472390077.db2.gz SPZLVPJTAVVJJH-UHFFFAOYSA-N 2 1 337.508 2.874 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154476500 472436537 /nfs/dbraw/zinc/43/65/37/472436537.db2.gz STPWYIRFUQYRGH-IBGZPJMESA-N 2 1 343.515 2.767 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000130383411 472602245 /nfs/dbraw/zinc/60/22/45/472602245.db2.gz WKRIDDSHYYEWDO-AEFFLSMTSA-N 2 1 343.471 2.568 20 30 EFEDMP CCCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000104174964 472659517 /nfs/dbraw/zinc/65/95/17/472659517.db2.gz QGNLNYJYAYMNLR-SFHVURJKSA-N 2 1 332.492 2.502 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000104156670 472659640 /nfs/dbraw/zinc/65/96/40/472659640.db2.gz NALULBJSDBWCAO-AWEZNQCLSA-N 2 1 334.464 2.695 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC2CCCCCC2)cn1 ZINC000092277290 472886733 /nfs/dbraw/zinc/88/67/33/472886733.db2.gz TUIRXFYHODWNLE-UHFFFAOYSA-N 2 1 326.448 2.703 20 30 EFEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000109787743 473121728 /nfs/dbraw/zinc/12/17/28/473121728.db2.gz LPPOOFVYZUQBHA-UHFFFAOYSA-N 2 1 334.489 2.755 20 30 EFEDMP C=C(C)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156077 473155135 /nfs/dbraw/zinc/15/51/35/473155135.db2.gz UXRBHGWHHCUBLO-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185400718 473416076 /nfs/dbraw/zinc/41/60/76/473416076.db2.gz CARDFRAUYJKCKO-APWZRJJASA-N 2 1 329.488 2.828 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000177857766 473444652 /nfs/dbraw/zinc/44/46/52/473444652.db2.gz NSXWBZJWZZDNAQ-DNVCBOLYSA-N 2 1 333.451 2.924 20 30 EFEDMP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697038 473491007 /nfs/dbraw/zinc/49/10/07/473491007.db2.gz PHYRUFBBZAGJCJ-CVAIRZPRSA-N 2 1 327.472 2.834 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603045 /nfs/dbraw/zinc/60/30/45/473603045.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603051 /nfs/dbraw/zinc/60/30/51/473603051.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603056 /nfs/dbraw/zinc/60/30/56/473603056.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000153048484 473606763 /nfs/dbraw/zinc/60/67/63/473606763.db2.gz HVVWBMVEOHCFTA-INIZCTEOSA-N 2 1 325.460 2.958 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000281386299 473701833 /nfs/dbraw/zinc/70/18/33/473701833.db2.gz PNEGPWAFDNHANT-LMMKCTJWSA-N 2 1 341.499 2.520 20 30 EFEDMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938763 473757848 /nfs/dbraw/zinc/75/78/48/473757848.db2.gz BOMSHMMBNCKUKY-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938763 473757857 /nfs/dbraw/zinc/75/78/57/473757857.db2.gz BOMSHMMBNCKUKY-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938763 473757865 /nfs/dbraw/zinc/75/78/65/473757865.db2.gz BOMSHMMBNCKUKY-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179938763 473757871 /nfs/dbraw/zinc/75/78/71/473757871.db2.gz BOMSHMMBNCKUKY-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180063178 473789279 /nfs/dbraw/zinc/78/92/79/473789279.db2.gz XZLWGTHDWODRMD-UHFFFAOYSA-N 2 1 349.482 2.923 20 30 EFEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936330 473888867 /nfs/dbraw/zinc/88/88/67/473888867.db2.gz IMYBCXOYHSLMKJ-VQIMIIECSA-N 2 1 338.455 2.596 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000264080803 473947410 /nfs/dbraw/zinc/94/74/10/473947410.db2.gz HCYXLLPEXUSNBQ-AWEZNQCLSA-N 2 1 334.464 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000264086210 473948803 /nfs/dbraw/zinc/94/88/03/473948803.db2.gz JIGREJNCGAPOCJ-OTWHNJEPSA-N 2 1 344.503 2.543 20 30 EFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246924532 474005176 /nfs/dbraw/zinc/00/51/76/474005176.db2.gz SRQVQBDSIVHEMS-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246924532 474005181 /nfs/dbraw/zinc/00/51/81/474005181.db2.gz SRQVQBDSIVHEMS-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246924532 474005190 /nfs/dbraw/zinc/00/51/90/474005190.db2.gz SRQVQBDSIVHEMS-PXNSSMCTSA-N 2 1 325.456 2.886 20 30 EFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271869 474138296 /nfs/dbraw/zinc/13/82/96/474138296.db2.gz HWNWJUPYNNDOMH-KKSFZXQISA-N 2 1 335.451 2.976 20 30 EFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333853 474496232 /nfs/dbraw/zinc/49/62/32/474496232.db2.gz VYOHKHGPTMLTTP-LJQANCHMSA-N 2 1 340.471 2.693 20 30 EFEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266983702 474556168 /nfs/dbraw/zinc/55/61/68/474556168.db2.gz ONQYSDDOEQMMEY-UHFFFAOYSA-N 2 1 339.365 2.705 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000249460233 474575512 /nfs/dbraw/zinc/57/55/12/474575512.db2.gz QQIWTSMDVRGRAY-PKOBYXMFSA-N 2 1 345.487 2.664 20 30 EFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478475 474655963 /nfs/dbraw/zinc/65/59/63/474655963.db2.gz KJNHDUTWLHBTLS-DLBZAZTESA-N 2 1 331.460 2.740 20 30 EFEDMP C[N@H+]1CC[C@]2(CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857807 474678590 /nfs/dbraw/zinc/67/85/90/474678590.db2.gz UZBBNULVKJSODI-NRFANRHFSA-N 2 1 349.482 2.991 20 30 EFEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857807 474678602 /nfs/dbraw/zinc/67/86/02/474678602.db2.gz UZBBNULVKJSODI-NRFANRHFSA-N 2 1 349.482 2.991 20 30 EFEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857807 474678606 /nfs/dbraw/zinc/67/86/06/474678606.db2.gz UZBBNULVKJSODI-NRFANRHFSA-N 2 1 349.482 2.991 20 30 EFEDMP C=CCN1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000337162852 474750442 /nfs/dbraw/zinc/75/04/42/474750442.db2.gz WDRVHSBYGDMERE-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337196572 474774817 /nfs/dbraw/zinc/77/48/17/474774817.db2.gz WMNZFKRJMLKGCK-SFHVURJKSA-N 2 1 337.508 2.520 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285690122 475037103 /nfs/dbraw/zinc/03/71/03/475037103.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 1 333.476 2.622 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285690122 475037113 /nfs/dbraw/zinc/03/71/13/475037113.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 1 333.476 2.622 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285690122 475037121 /nfs/dbraw/zinc/03/71/21/475037121.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 1 333.476 2.622 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000337460267 475037992 /nfs/dbraw/zinc/03/79/92/475037992.db2.gz ZMMBBRTUSRWPLX-GBESFXJTSA-N 2 1 348.535 2.611 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542097 475071918 /nfs/dbraw/zinc/07/19/18/475071918.db2.gz ARCQWOGUBZZJNT-IBGZPJMESA-N 2 1 341.499 2.519 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542097 475071924 /nfs/dbraw/zinc/07/19/24/475071924.db2.gz ARCQWOGUBZZJNT-IBGZPJMESA-N 2 1 341.499 2.519 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000329589909 475092113 /nfs/dbraw/zinc/09/21/13/475092113.db2.gz YHIXNTYIAYJBSV-SUMDDJOVSA-N 2 1 345.487 2.624 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000329589909 475092117 /nfs/dbraw/zinc/09/21/17/475092117.db2.gz YHIXNTYIAYJBSV-SUMDDJOVSA-N 2 1 345.487 2.624 20 30 EFEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000329695220 475113045 /nfs/dbraw/zinc/11/30/45/475113045.db2.gz XJFLGCOTCVVNHC-ZACQAIPSSA-N 2 1 345.491 2.623 20 30 EFEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000329695220 475113056 /nfs/dbraw/zinc/11/30/56/475113056.db2.gz XJFLGCOTCVVNHC-ZACQAIPSSA-N 2 1 345.491 2.623 20 30 EFEDMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2cncc2C1 ZINC000329932734 475166291 /nfs/dbraw/zinc/16/62/91/475166291.db2.gz PRMCZWKDMKGTGP-ROUUACIJSA-N 2 1 338.455 2.924 20 30 EFEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372769 /nfs/dbraw/zinc/37/27/69/475372769.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372776 /nfs/dbraw/zinc/37/27/76/475372776.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372784 /nfs/dbraw/zinc/37/27/84/475372784.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372793 /nfs/dbraw/zinc/37/27/93/475372793.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 2 1 340.475 2.696 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331866958 475438651 /nfs/dbraw/zinc/43/86/51/475438651.db2.gz GIDJDVQNRGWJDZ-IRXDYDNUSA-N 2 1 347.463 2.905 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000346546333 475646338 /nfs/dbraw/zinc/64/63/38/475646338.db2.gz GXUPXJZKPNQZHD-PXNSSMCTSA-N 2 1 329.488 2.979 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000346546332 475647006 /nfs/dbraw/zinc/64/70/06/475647006.db2.gz GXUPXJZKPNQZHD-FXAWDEMLSA-N 2 1 329.488 2.979 20 30 EFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC[N@H+](C)C1 ZINC000352902717 475665121 /nfs/dbraw/zinc/66/51/21/475665121.db2.gz QHJYRBCITSBJOP-INIZCTEOSA-N 2 1 349.548 2.536 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348819858 475869503 /nfs/dbraw/zinc/86/95/03/475869503.db2.gz QRBLXZRKXQKMSB-KRWDZBQOSA-N 2 1 335.879 2.709 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413866 475949450 /nfs/dbraw/zinc/94/94/50/475949450.db2.gz QXLWJBSVQZKEST-HXUWFJFHSA-N 2 1 326.488 2.553 20 30 EFEDMP C=CC[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1F ZINC000357094332 476228048 /nfs/dbraw/zinc/22/80/48/476228048.db2.gz ZJSOECALVHTHSK-UHFFFAOYSA-N 2 1 331.229 2.552 20 30 EFEDMP C=CC[N@H+](CCOCC[NH3+])Cc1cc(Br)ccc1F ZINC000357094332 476228055 /nfs/dbraw/zinc/22/80/55/476228055.db2.gz ZJSOECALVHTHSK-UHFFFAOYSA-N 2 1 331.229 2.552 20 30 EFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896884 476704369 /nfs/dbraw/zinc/70/43/69/476704369.db2.gz LQCHKXDHUROJKD-HLIPFELVSA-N 2 1 326.488 2.577 20 30 EFEDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1c[nH+]ccc1N ZINC000422975279 476874681 /nfs/dbraw/zinc/87/46/81/476874681.db2.gz GKIFUAFHZRQOAZ-UKRRQHHQSA-N 2 1 339.418 2.825 20 30 EFEDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1c[nH+]ccc1N ZINC000422975278 476874881 /nfs/dbraw/zinc/87/48/81/476874881.db2.gz GKIFUAFHZRQOAZ-HIFRSBDPSA-N 2 1 339.418 2.825 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000422986011 476879764 /nfs/dbraw/zinc/87/97/64/476879764.db2.gz GILXWLNUVLLKLF-GUDVDZBRSA-N 2 1 345.512 2.538 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900643 477070753 /nfs/dbraw/zinc/07/07/53/477070753.db2.gz HLIXNAPPWOMIBQ-FXAWDEMLSA-N 2 1 326.488 2.720 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000371294706 477223422 /nfs/dbraw/zinc/22/34/22/477223422.db2.gz MQJDXRGQQSPFBS-RLLQIKCJSA-N 2 1 343.471 2.511 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139353 477305520 /nfs/dbraw/zinc/30/55/20/477305520.db2.gz VDJBNPCBCDIDRQ-LPHOPBHVSA-N 2 1 342.487 2.556 20 30 EFEDMP C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673669 477322032 /nfs/dbraw/zinc/32/20/32/477322032.db2.gz ODAWKKKWCWJPQC-FQEVSTJZSA-N 2 1 341.499 2.891 20 30 EFEDMP C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673669 477322037 /nfs/dbraw/zinc/32/20/37/477322037.db2.gz ODAWKKKWCWJPQC-FQEVSTJZSA-N 2 1 341.499 2.891 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849574 477574861 /nfs/dbraw/zinc/57/48/61/477574861.db2.gz NWNUZCXMTUADMT-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C1 ZINC000372022387 477604430 /nfs/dbraw/zinc/60/44/30/477604430.db2.gz UJFFAXWJCBPUHQ-IBGZPJMESA-N 2 1 340.515 2.700 20 30 EFEDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C1 ZINC000372022387 477604437 /nfs/dbraw/zinc/60/44/37/477604437.db2.gz UJFFAXWJCBPUHQ-IBGZPJMESA-N 2 1 340.515 2.700 20 30 EFEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102678 477671234 /nfs/dbraw/zinc/67/12/34/477671234.db2.gz YYMIQGSWQFVMOB-IWCVFHTOSA-N 2 1 328.460 2.573 20 30 EFEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102678 477671240 /nfs/dbraw/zinc/67/12/40/477671240.db2.gz YYMIQGSWQFVMOB-IWCVFHTOSA-N 2 1 328.460 2.573 20 30 EFEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298139 477672806 /nfs/dbraw/zinc/67/28/06/477672806.db2.gz GVBWOMKEVCEHBL-IAGOWNOFSA-N 2 1 340.475 2.601 20 30 EFEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318776 477688891 /nfs/dbraw/zinc/68/88/91/477688891.db2.gz OWGCEPVOGJBDTQ-SFTDATJTSA-N 2 1 340.467 2.614 20 30 EFEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318776 477688894 /nfs/dbraw/zinc/68/88/94/477688894.db2.gz OWGCEPVOGJBDTQ-SFTDATJTSA-N 2 1 340.467 2.614 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340484 477710022 /nfs/dbraw/zinc/71/00/22/477710022.db2.gz PMZXWMWTQVKRGJ-YESZJQIVSA-N 2 1 347.528 2.583 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000420985240 477877510 /nfs/dbraw/zinc/87/75/10/477877510.db2.gz VWIBFKRSGYMWFI-UHFFFAOYSA-N 2 1 340.515 2.859 20 30 EFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(C#N)cs2)c2cccs2)CC1 ZINC000530879586 477892119 /nfs/dbraw/zinc/89/21/19/477892119.db2.gz IFTNTYFHHWNNKT-INIZCTEOSA-N 2 1 346.525 2.760 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1F ZINC000421362534 478054340 /nfs/dbraw/zinc/05/43/40/478054340.db2.gz JHHVFQMWPHVWBP-RBUKOAKNSA-N 2 1 331.435 2.555 20 30 EFEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726827 478061412 /nfs/dbraw/zinc/06/14/12/478061412.db2.gz BUGONIJDSGTMJT-IBGZPJMESA-N 2 1 340.515 2.844 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488838803 478190368 /nfs/dbraw/zinc/19/03/68/478190368.db2.gz DXMXQIUKFMQFGH-KRWDZBQOSA-N 2 1 348.535 2.543 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495744393 478296862 /nfs/dbraw/zinc/29/68/62/478296862.db2.gz GYKHDKJGEKTBQD-HNNXBMFYSA-N 2 1 337.508 2.872 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000562983918 478402586 /nfs/dbraw/zinc/40/25/86/478402586.db2.gz GKNJAKGTZBORJG-UHFFFAOYSA-N 2 1 346.431 2.554 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000594505029 478416399 /nfs/dbraw/zinc/41/63/99/478416399.db2.gz YQAKVKUITYBNHR-KRWDZBQOSA-N 2 1 333.863 2.945 20 30 EFEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000491450686 478551550 /nfs/dbraw/zinc/55/15/50/478551550.db2.gz BLLIKCSPZCCERJ-UHFFFAOYSA-N 2 1 341.499 2.680 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000591478033 478566151 /nfs/dbraw/zinc/56/61/51/478566151.db2.gz MKQBIXBDQOGXSI-UHFFFAOYSA-N 2 1 340.515 2.859 20 30 EFEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594992090 478621169 /nfs/dbraw/zinc/62/11/69/478621169.db2.gz ASYRNNSTPMCCAC-IBGZPJMESA-N 2 1 343.471 2.712 20 30 EFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478673995 /nfs/dbraw/zinc/67/39/95/478673995.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 2 1 327.516 2.627 20 30 EFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478673999 /nfs/dbraw/zinc/67/39/99/478673999.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 2 1 327.516 2.627 20 30 EFEDMP C[N@H+](CCc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000595447893 478789776 /nfs/dbraw/zinc/78/97/76/478789776.db2.gz GXTXEINJIHEWTK-JOCHJYFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000595447893 478789786 /nfs/dbraw/zinc/78/97/86/478789786.db2.gz GXTXEINJIHEWTK-JOCHJYFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000595447893 478789792 /nfs/dbraw/zinc/78/97/92/478789792.db2.gz GXTXEINJIHEWTK-JOCHJYFZSA-N 2 1 349.478 2.670 20 30 EFEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000595447893 478789800 /nfs/dbraw/zinc/78/98/00/478789800.db2.gz GXTXEINJIHEWTK-JOCHJYFZSA-N 2 1 349.478 2.670 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595545223 478848033 /nfs/dbraw/zinc/84/80/33/478848033.db2.gz FJCBOJKVLFWLAH-UHFFFAOYSA-N 2 1 340.515 2.593 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618392 478928506 /nfs/dbraw/zinc/92/85/06/478928506.db2.gz XKJNMYCFSLCLSK-FPOVZHCZSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000598618392 478928514 /nfs/dbraw/zinc/92/85/14/478928514.db2.gz XKJNMYCFSLCLSK-FPOVZHCZSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000598618392 478928519 /nfs/dbraw/zinc/92/85/19/478928519.db2.gz XKJNMYCFSLCLSK-FPOVZHCZSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618391 478928877 /nfs/dbraw/zinc/92/88/77/478928877.db2.gz XKJNMYCFSLCLSK-CTNGQTDRSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000598618391 478928882 /nfs/dbraw/zinc/92/88/82/478928882.db2.gz XKJNMYCFSLCLSK-CTNGQTDRSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000598618391 478928888 /nfs/dbraw/zinc/92/88/88/478928888.db2.gz XKJNMYCFSLCLSK-CTNGQTDRSA-N 2 1 341.499 2.885 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000572869878 478939760 /nfs/dbraw/zinc/93/97/60/478939760.db2.gz VFQWGKJBURXABO-HXUWFJFHSA-N 2 1 344.499 2.785 20 30 EFEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598700973 478979837 /nfs/dbraw/zinc/97/98/37/478979837.db2.gz SFUNSXVTSHZRGK-IBGZPJMESA-N 2 1 329.488 2.850 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000565358196 478987419 /nfs/dbraw/zinc/98/74/19/478987419.db2.gz MLDXGHYUOASXSC-HKUYNNGSSA-N 2 1 345.487 2.542 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598727652 478991625 /nfs/dbraw/zinc/99/16/25/478991625.db2.gz YMXSXEYTPCXIFV-QRQLOZEOSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598727652 478991633 /nfs/dbraw/zinc/99/16/33/478991633.db2.gz YMXSXEYTPCXIFV-QRQLOZEOSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598727649 478993117 /nfs/dbraw/zinc/99/31/17/478993117.db2.gz YMXSXEYTPCXIFV-NEWSRXKRSA-N 2 1 329.488 2.930 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598727649 478993124 /nfs/dbraw/zinc/99/31/24/478993124.db2.gz YMXSXEYTPCXIFV-NEWSRXKRSA-N 2 1 329.488 2.930 20 30 EFEDMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994309 479119213 /nfs/dbraw/zinc/11/92/13/479119213.db2.gz JLLXRVKOZJAQGF-HXUWFJFHSA-N 2 1 340.515 2.844 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610813525 479195008 /nfs/dbraw/zinc/19/50/08/479195008.db2.gz JSBOQFSZVIAPAE-YLJYHZDGSA-N 2 1 326.488 2.617 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610813525 479195016 /nfs/dbraw/zinc/19/50/16/479195016.db2.gz JSBOQFSZVIAPAE-YLJYHZDGSA-N 2 1 326.488 2.617 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110701 479254182 /nfs/dbraw/zinc/25/41/82/479254182.db2.gz PFVDTQGSWHBPMR-HKUYNNGSSA-N 2 1 336.524 2.627 20 30 EFEDMP CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321879 479295374 /nfs/dbraw/zinc/29/53/74/479295374.db2.gz JCBBLJIQDOCVTN-UXHICEINSA-N 2 1 326.488 2.643 20 30 EFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000599658536 479375523 /nfs/dbraw/zinc/37/55/23/479375523.db2.gz AVEYRQIJIUKDIY-MRXNPFEDSA-N 2 1 342.487 2.521 20 30 EFEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592008 479413311 /nfs/dbraw/zinc/41/33/11/479413311.db2.gz GHVJVJZOZSNXFI-RTBURBONSA-N 2 1 342.487 2.569 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723732 479435102 /nfs/dbraw/zinc/43/51/02/479435102.db2.gz YBOMRUQIXJUBKN-OXQOHEQNSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723732 479435108 /nfs/dbraw/zinc/43/51/08/479435108.db2.gz YBOMRUQIXJUBKN-OXQOHEQNSA-N 2 1 326.488 2.595 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000618561371 479493057 /nfs/dbraw/zinc/49/30/57/479493057.db2.gz BDOGWPDGCQXOCU-GVDBMIGSSA-N 2 1 332.517 2.709 20 30 EFEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615776573 479752617 /nfs/dbraw/zinc/75/26/17/479752617.db2.gz GYSGFMDMILZYQM-QGZVFWFLSA-N 2 1 346.519 2.525 20 30 EFEDMP C=CC[N@@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242509 482387851 /nfs/dbraw/zinc/38/78/51/482387851.db2.gz BLYYGOYZHJXGTG-IAGOWNOFSA-N 2 1 331.460 2.537 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000170906357 534075989 /nfs/dbraw/zinc/07/59/89/534075989.db2.gz AUZOYOKHVXZABT-INIZCTEOSA-N 2 1 342.443 2.530 20 30 EFEDMP N#Cc1ccc(F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173956846 534784748 /nfs/dbraw/zinc/78/47/48/534784748.db2.gz XNFSPEQBFOITCN-UHFFFAOYSA-N 2 1 331.435 2.774 20 30 EFEDMP C=CCNC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161194094 526636690 /nfs/dbraw/zinc/63/66/90/526636690.db2.gz IRKFTAQTAMWTKZ-INIZCTEOSA-N 2 1 344.503 2.567 20 30 EFEDMP N#Cc1ccccc1N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000193471716 526740113 /nfs/dbraw/zinc/74/01/13/526740113.db2.gz SEQCIGZISDAORB-UHFFFAOYSA-N 2 1 326.488 2.946 20 30 EFEDMP N#Cc1ccccc1N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000193471716 526740121 /nfs/dbraw/zinc/74/01/21/526740121.db2.gz SEQCIGZISDAORB-UHFFFAOYSA-N 2 1 326.488 2.946 20 30 EFEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166493 527982883 /nfs/dbraw/zinc/98/28/83/527982883.db2.gz YRSXRLDFZFWJCD-QGZVFWFLSA-N 2 1 332.492 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600294 529092127 /nfs/dbraw/zinc/09/21/27/529092127.db2.gz XRHADSODGFOABI-NSHDSACASA-N 2 1 330.354 2.796 20 30 EFEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425529193 535199548 /nfs/dbraw/zinc/19/95/48/535199548.db2.gz AWYFRNFVWGOZDG-GOSISDBHSA-N 2 1 328.504 2.967 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655688409 546533217 /nfs/dbraw/zinc/53/32/17/546533217.db2.gz ZYYKKIKMUJAHBN-PMACEKPBSA-N 2 1 335.536 2.528 20 30 EFEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2ccnc2)nn1 ZINC000761839975 576218457 /nfs/dbraw/zinc/21/84/57/576218457.db2.gz WWNDHGIJKJXNNH-HNNXBMFYSA-N 2 1 347.426 2.582 20 30 EFEDMP C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-n2ccnc2)nn1 ZINC000761839975 576218460 /nfs/dbraw/zinc/21/84/60/576218460.db2.gz WWNDHGIJKJXNNH-HNNXBMFYSA-N 2 1 347.426 2.582 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765979770 577094609 /nfs/dbraw/zinc/09/46/09/577094609.db2.gz XDGSTDRFMMMXJS-DYESRHJHSA-N 2 1 342.483 2.993 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765979778 577094672 /nfs/dbraw/zinc/09/46/72/577094672.db2.gz XDGSTDRFMMMXJS-UWJYYQICSA-N 2 1 342.483 2.993 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000772987963 581385975 /nfs/dbraw/zinc/38/59/75/581385975.db2.gz NHFXAESTABGGPV-ICSRJNTNSA-N 2 1 344.499 2.925 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000772987963 581385977 /nfs/dbraw/zinc/38/59/77/581385977.db2.gz NHFXAESTABGGPV-ICSRJNTNSA-N 2 1 344.499 2.925 20 30 EFEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752211344 1249360054 /nfs/dbraw/zinc/36/00/54/1249360054.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 2 1 327.488 2.603 20 30 EFEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752211344 1249360060 /nfs/dbraw/zinc/36/00/60/1249360060.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 2 1 327.488 2.603 20 30 EFEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752211344 1249360069 /nfs/dbraw/zinc/36/00/69/1249360069.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 2 1 327.488 2.603 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493465 1252059293 /nfs/dbraw/zinc/05/92/93/1252059293.db2.gz XCJFWZINJAKDAP-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493465 1252059300 /nfs/dbraw/zinc/05/93/00/1252059300.db2.gz XCJFWZINJAKDAP-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493465 1252059307 /nfs/dbraw/zinc/05/93/07/1252059307.db2.gz XCJFWZINJAKDAP-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683662 1252160553 /nfs/dbraw/zinc/16/05/53/1252160553.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683662 1252160557 /nfs/dbraw/zinc/16/05/57/1252160557.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683662 1252160563 /nfs/dbraw/zinc/16/05/63/1252160563.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684488 1252167839 /nfs/dbraw/zinc/16/78/39/1252167839.db2.gz QCGCFVCERVSLIC-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684488 1252167842 /nfs/dbraw/zinc/16/78/42/1252167842.db2.gz QCGCFVCERVSLIC-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684488 1252167843 /nfs/dbraw/zinc/16/78/43/1252167843.db2.gz QCGCFVCERVSLIC-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001484769715 1252934532 /nfs/dbraw/zinc/93/45/32/1252934532.db2.gz ZHXAQEDKMQBERD-UHFFFAOYSA-N 2 1 337.895 2.895 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574993 1253153994 /nfs/dbraw/zinc/15/39/94/1253153994.db2.gz NNIKBVLCWSLNHR-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574993 1253154001 /nfs/dbraw/zinc/15/40/01/1253154001.db2.gz NNIKBVLCWSLNHR-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574993 1253154006 /nfs/dbraw/zinc/15/40/06/1253154006.db2.gz NNIKBVLCWSLNHR-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332489 1253180569 /nfs/dbraw/zinc/18/05/69/1253180569.db2.gz COXITTHGNARKTM-AEFFLSMTSA-N 2 1 345.487 2.585 20 30 EFEDMP C[NH+]=C(NCc1csc2ccccc12)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102367 1253354039 /nfs/dbraw/zinc/35/40/39/1253354039.db2.gz IHIHQZJXHQRVRE-CQSZACIVSA-N 2 1 328.485 2.803 20 30 EFEDMP C[NH+]=C(NCc1csc2ccccc12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102367 1253354047 /nfs/dbraw/zinc/35/40/47/1253354047.db2.gz IHIHQZJXHQRVRE-CQSZACIVSA-N 2 1 328.485 2.803 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995921644 1254842999 /nfs/dbraw/zinc/84/29/99/1254842999.db2.gz XJPSSHIPNLSSLV-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996375133 1255258166 /nfs/dbraw/zinc/25/81/66/1255258166.db2.gz LVFKOHQSLVFWRF-CQSZACIVSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524198 1255412204 /nfs/dbraw/zinc/41/22/04/1255412204.db2.gz NXSSBPFLBHBXCP-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424630 1255784131 /nfs/dbraw/zinc/78/41/31/1255784131.db2.gz YTQIRDCVSJKQAA-YQVWRLOYSA-N 2 1 339.499 2.603 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485216 1255952360 /nfs/dbraw/zinc/95/23/60/1255952360.db2.gz PIOHGNJFNLAXBA-SFHLNBCPSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530174 1256049657 /nfs/dbraw/zinc/04/96/57/1256049657.db2.gz KIUPGWYENJWQEP-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107547010 1256106857 /nfs/dbraw/zinc/10/68/57/1256106857.db2.gz XSKOALGAEZUACF-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107547010 1256106859 /nfs/dbraw/zinc/10/68/59/1256106859.db2.gz XSKOALGAEZUACF-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107547010 1256106868 /nfs/dbraw/zinc/10/68/68/1256106868.db2.gz XSKOALGAEZUACF-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547240 1256108511 /nfs/dbraw/zinc/10/85/11/1256108511.db2.gz GQHQUKHNPMQXSA-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547240 1256108516 /nfs/dbraw/zinc/10/85/16/1256108516.db2.gz GQHQUKHNPMQXSA-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547240 1256108525 /nfs/dbraw/zinc/10/85/25/1256108525.db2.gz GQHQUKHNPMQXSA-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566567 1256154077 /nfs/dbraw/zinc/15/40/77/1256154077.db2.gz AGYODYDQVDFFAC-SFHLNBCPSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582091 1256178186 /nfs/dbraw/zinc/17/81/86/1256178186.db2.gz WICQOSFMUOTQRE-SVFBPWRDSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](CCC)CCC)CCC[C@@H]12 ZINC001107606579 1256267220 /nfs/dbraw/zinc/26/72/20/1256267220.db2.gz DCSBQLVIVCTGFI-TZIWHRDSSA-N 2 1 347.547 2.883 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635634 1256333599 /nfs/dbraw/zinc/33/35/99/1256333599.db2.gz VDYBXOTVHZGOEV-TZIWHRDSSA-N 2 1 345.531 2.637 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634056 1256339903 /nfs/dbraw/zinc/33/99/03/1256339903.db2.gz ILZQYQHEDRUXSC-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634056 1256339907 /nfs/dbraw/zinc/33/99/07/1256339907.db2.gz ILZQYQHEDRUXSC-IEBWSBKVSA-N 2 1 330.476 2.519 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644545 1256343955 /nfs/dbraw/zinc/34/39/55/1256343955.db2.gz AAUFXXLTKCSUJI-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646650 1256371180 /nfs/dbraw/zinc/37/11/80/1256371180.db2.gz ODVBSQQJAZHWCW-WSTZPKSXSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835116 1256819922 /nfs/dbraw/zinc/81/99/22/1256819922.db2.gz KFQNNFNCUQPYGT-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835116 1256819936 /nfs/dbraw/zinc/81/99/36/1256819936.db2.gz KFQNNFNCUQPYGT-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835116 1256819950 /nfs/dbraw/zinc/81/99/50/1256819950.db2.gz KFQNNFNCUQPYGT-NSHGMRRFSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131916 1257028183 /nfs/dbraw/zinc/02/81/83/1257028183.db2.gz JFIBQEIQVQOGNB-NVXWUHKLSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406285 1257125093 /nfs/dbraw/zinc/12/50/93/1257125093.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406285 1257125096 /nfs/dbraw/zinc/12/50/96/1257125096.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406285 1257125097 /nfs/dbraw/zinc/12/50/97/1257125097.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997278576 1257323855 /nfs/dbraw/zinc/32/38/55/1257323855.db2.gz GIOWGTBZXTYTEP-MJGOQNOKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617606 1258120134 /nfs/dbraw/zinc/12/01/34/1258120134.db2.gz JJLAKRVVJHBEPR-DOTOQJQBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617403 1258120320 /nfs/dbraw/zinc/12/03/20/1258120320.db2.gz GIJBAHGFXWHMQK-FUHWJXTLSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653486 1258171126 /nfs/dbraw/zinc/17/11/26/1258171126.db2.gz OFSKLZIMQUJQSP-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653197 1258175867 /nfs/dbraw/zinc/17/58/67/1258175867.db2.gz IKGIELOJGNVCNG-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997870079 1258554798 /nfs/dbraw/zinc/55/47/98/1258554798.db2.gz BZPZGLSKUGWYSH-RDJZCZTQSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997870079 1258554803 /nfs/dbraw/zinc/55/48/03/1258554803.db2.gz BZPZGLSKUGWYSH-RDJZCZTQSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997947159 1258820014 /nfs/dbraw/zinc/82/00/14/1258820014.db2.gz AIGNIMDCHZTZER-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997947159 1258820026 /nfs/dbraw/zinc/82/00/26/1258820026.db2.gz AIGNIMDCHZTZER-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997947159 1258820034 /nfs/dbraw/zinc/82/00/34/1258820034.db2.gz AIGNIMDCHZTZER-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005626 1258934581 /nfs/dbraw/zinc/93/45/81/1258934581.db2.gz QTCSENBYWXAFMT-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005626 1258934584 /nfs/dbraw/zinc/93/45/84/1258934584.db2.gz QTCSENBYWXAFMT-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005626 1258934588 /nfs/dbraw/zinc/93/45/88/1258934588.db2.gz QTCSENBYWXAFMT-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009309 1258945214 /nfs/dbraw/zinc/94/52/14/1258945214.db2.gz WAQGGMUSZCGHCS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009309 1258945222 /nfs/dbraw/zinc/94/52/22/1258945222.db2.gz WAQGGMUSZCGHCS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009309 1258945226 /nfs/dbraw/zinc/94/52/26/1258945226.db2.gz WAQGGMUSZCGHCS-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020317 1258971855 /nfs/dbraw/zinc/97/18/55/1258971855.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020317 1258971861 /nfs/dbraw/zinc/97/18/61/1258971861.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020317 1258971865 /nfs/dbraw/zinc/97/18/65/1258971865.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031373 1258987898 /nfs/dbraw/zinc/98/78/98/1258987898.db2.gz PJAWDEHKWUGHIX-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031373 1258987902 /nfs/dbraw/zinc/98/79/02/1258987902.db2.gz PJAWDEHKWUGHIX-DLBZAZTESA-N 2 1 330.476 2.650 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998115970 1259130860 /nfs/dbraw/zinc/13/08/60/1259130860.db2.gz MFVFNORCPIAVAR-SJORKVTESA-N 2 1 342.487 2.556 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC000998199739 1259220561 /nfs/dbraw/zinc/22/05/61/1259220561.db2.gz RLMUFLXDBVJOEQ-FQEVSTJZSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(C)C)CC2)CC1 ZINC000998198983 1259223011 /nfs/dbraw/zinc/22/30/11/1259223011.db2.gz PEQULFTYMDZQME-HXUWFJFHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCC=C)CC2)CC1 ZINC000998200091 1259231139 /nfs/dbraw/zinc/23/11/39/1259231139.db2.gz SMWYMIDNBWLRNA-HXUWFJFHSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999506831 1260695221 /nfs/dbraw/zinc/69/52/21/1260695221.db2.gz SFVYYHURWNSANL-UYSNPLJNSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999554986 1260732163 /nfs/dbraw/zinc/73/21/63/1260732163.db2.gz FWXMWXWKBOEHHX-HNNXBMFYSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031175 1266382728 /nfs/dbraw/zinc/38/27/28/1266382728.db2.gz TVYQRQAZMIRWLG-NRFANRHFSA-N 2 1 339.483 2.552 20 30 EFEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000184101 1261179013 /nfs/dbraw/zinc/17/90/13/1261179013.db2.gz HCFKPDDZIZOEMG-RTBURBONSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000262431 1261343124 /nfs/dbraw/zinc/34/31/24/1261343124.db2.gz YUIBQFPPTAKIQB-FUHWJXTLSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901689 1261671864 /nfs/dbraw/zinc/67/18/64/1261671864.db2.gz BLFVDXZSVLBPGV-BGYRXZFFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006117199 1261791652 /nfs/dbraw/zinc/79/16/52/1261791652.db2.gz TVHDPFFMSACBSP-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117199 1261791656 /nfs/dbraw/zinc/79/16/56/1261791656.db2.gz TVHDPFFMSACBSP-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006120955 1261812465 /nfs/dbraw/zinc/81/24/65/1261812465.db2.gz SRGWSXGIWFRPAT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803586 1261846581 /nfs/dbraw/zinc/84/65/81/1261846581.db2.gz FVWNOZYTAOFRMU-FHWLQOOXSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356656 1263855716 /nfs/dbraw/zinc/85/57/16/1263855716.db2.gz UDUNEHPGAMQNFO-GVDBMIGSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356656 1263855737 /nfs/dbraw/zinc/85/57/37/1263855737.db2.gz UDUNEHPGAMQNFO-GVDBMIGSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406812 1263915347 /nfs/dbraw/zinc/91/53/47/1263915347.db2.gz ZNDJHLOYGLYSNS-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406812 1263915353 /nfs/dbraw/zinc/91/53/53/1263915353.db2.gz ZNDJHLOYGLYSNS-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406812 1263915360 /nfs/dbraw/zinc/91/53/60/1263915360.db2.gz ZNDJHLOYGLYSNS-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405452 1263916169 /nfs/dbraw/zinc/91/61/69/1263916169.db2.gz NVGMIOMRUZWJDN-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405452 1263916175 /nfs/dbraw/zinc/91/61/75/1263916175.db2.gz NVGMIOMRUZWJDN-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405452 1263916180 /nfs/dbraw/zinc/91/61/80/1263916180.db2.gz NVGMIOMRUZWJDN-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406164 1263916404 /nfs/dbraw/zinc/91/64/04/1263916404.db2.gz HXOPEVZOBOXSSV-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406164 1263916407 /nfs/dbraw/zinc/91/64/07/1263916407.db2.gz HXOPEVZOBOXSSV-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406164 1263916413 /nfs/dbraw/zinc/91/64/13/1263916413.db2.gz HXOPEVZOBOXSSV-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767946 1264347645 /nfs/dbraw/zinc/34/76/45/1264347645.db2.gz PMMICBCPIIJHRA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767946 1264347651 /nfs/dbraw/zinc/34/76/51/1264347651.db2.gz PMMICBCPIIJHRA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767946 1264347657 /nfs/dbraw/zinc/34/76/57/1264347657.db2.gz PMMICBCPIIJHRA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944356 1264715859 /nfs/dbraw/zinc/71/58/59/1264715859.db2.gz JJTDUFRRQFXVRA-ZACQAIPSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944356 1264715864 /nfs/dbraw/zinc/71/58/64/1264715864.db2.gz JJTDUFRRQFXVRA-ZACQAIPSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944356 1264715870 /nfs/dbraw/zinc/71/58/70/1264715870.db2.gz JJTDUFRRQFXVRA-ZACQAIPSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944355 1264717353 /nfs/dbraw/zinc/71/73/53/1264717353.db2.gz JJTDUFRRQFXVRA-BBWFWOEESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944355 1264717360 /nfs/dbraw/zinc/71/73/60/1264717360.db2.gz JJTDUFRRQFXVRA-BBWFWOEESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944355 1264717372 /nfs/dbraw/zinc/71/73/72/1264717372.db2.gz JJTDUFRRQFXVRA-BBWFWOEESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953500 1264755480 /nfs/dbraw/zinc/75/54/80/1264755480.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953500 1264755482 /nfs/dbraw/zinc/75/54/82/1264755482.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953500 1264755488 /nfs/dbraw/zinc/75/54/88/1264755488.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978201 1264807509 /nfs/dbraw/zinc/80/75/09/1264807509.db2.gz BSTWLYBCQNBOMS-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978201 1264807527 /nfs/dbraw/zinc/80/75/27/1264807527.db2.gz BSTWLYBCQNBOMS-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978201 1264807539 /nfs/dbraw/zinc/80/75/39/1264807539.db2.gz BSTWLYBCQNBOMS-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072644 1265076360 /nfs/dbraw/zinc/07/63/60/1265076360.db2.gz MFIZCMFQKHHSRM-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072644 1265076374 /nfs/dbraw/zinc/07/63/74/1265076374.db2.gz MFIZCMFQKHHSRM-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072644 1265076387 /nfs/dbraw/zinc/07/63/87/1265076387.db2.gz MFIZCMFQKHHSRM-AQNXPRMDSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101341 1265144688 /nfs/dbraw/zinc/14/46/88/1265144688.db2.gz FZOFMICBRAJJGN-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733329458 1265173292 /nfs/dbraw/zinc/17/32/92/1265173292.db2.gz SZDYQFDSVVVNFE-OXQOHEQNSA-N 2 1 343.471 2.710 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080886 1266445804 /nfs/dbraw/zinc/44/58/04/1266445804.db2.gz DYHWMYAWVJFVKG-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033080886 1266445808 /nfs/dbraw/zinc/44/58/08/1266445808.db2.gz DYHWMYAWVJFVKG-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033080886 1266445810 /nfs/dbraw/zinc/44/58/10/1266445810.db2.gz DYHWMYAWVJFVKG-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083102 1266451276 /nfs/dbraw/zinc/45/12/76/1266451276.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083102 1266451279 /nfs/dbraw/zinc/45/12/79/1266451279.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083102 1266451280 /nfs/dbraw/zinc/45/12/80/1266451280.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004377018 1266823278 /nfs/dbraw/zinc/82/32/78/1266823278.db2.gz XTOXGOSLLGVJTL-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004377018 1266823282 /nfs/dbraw/zinc/82/32/82/1266823282.db2.gz XTOXGOSLLGVJTL-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437029 1266980900 /nfs/dbraw/zinc/98/09/00/1266980900.db2.gz IPJYZZTWPLWNGS-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437073 1266993842 /nfs/dbraw/zinc/99/38/42/1266993842.db2.gz JCLGANLONUCIRC-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001004439675 1267002676 /nfs/dbraw/zinc/00/26/76/1267002676.db2.gz VVGFDHCMRMNWEW-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456319 1267082278 /nfs/dbraw/zinc/08/22/78/1267082278.db2.gz DLUMMOMSMFJEKK-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456778 1267084612 /nfs/dbraw/zinc/08/46/12/1267084612.db2.gz HYTJPQKFMRFVAJ-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456790 1267085409 /nfs/dbraw/zinc/08/54/09/1267085409.db2.gz HZKQYRYGJNPJEV-ZWKOTPCHSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456790 1267085413 /nfs/dbraw/zinc/08/54/13/1267085413.db2.gz HZKQYRYGJNPJEV-ZWKOTPCHSA-N 2 1 342.487 2.650 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004456370 1267085559 /nfs/dbraw/zinc/08/55/59/1267085559.db2.gz FDMVDXGTIGGERJ-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456370 1267085572 /nfs/dbraw/zinc/08/55/72/1267085572.db2.gz FDMVDXGTIGGERJ-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456370 1267085582 /nfs/dbraw/zinc/08/55/82/1267085582.db2.gz FDMVDXGTIGGERJ-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457967 1267092435 /nfs/dbraw/zinc/09/24/35/1267092435.db2.gz MULUAOZGCMTARM-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307282 1267107300 /nfs/dbraw/zinc/10/73/00/1267107300.db2.gz POURHHTXYCSELX-GUDVDZBRSA-N 2 1 333.520 2.987 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472171 1267118586 /nfs/dbraw/zinc/11/85/86/1267118586.db2.gz DMLXAMSQOMPBPM-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472171 1267118591 /nfs/dbraw/zinc/11/85/91/1267118591.db2.gz DMLXAMSQOMPBPM-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472171 1267118595 /nfs/dbraw/zinc/11/85/95/1267118595.db2.gz DMLXAMSQOMPBPM-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004473171 1267119736 /nfs/dbraw/zinc/11/97/36/1267119736.db2.gz LDPCKNPSWLAJSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004473171 1267119742 /nfs/dbraw/zinc/11/97/42/1267119742.db2.gz LDPCKNPSWLAJSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004473171 1267119746 /nfs/dbraw/zinc/11/97/46/1267119746.db2.gz LDPCKNPSWLAJSY-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616175 1267127901 /nfs/dbraw/zinc/12/79/01/1267127901.db2.gz XWLDNNOYVYLFFB-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616175 1267127905 /nfs/dbraw/zinc/12/79/05/1267127905.db2.gz XWLDNNOYVYLFFB-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616175 1267127909 /nfs/dbraw/zinc/12/79/09/1267127909.db2.gz XWLDNNOYVYLFFB-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476058 1267128303 /nfs/dbraw/zinc/12/83/03/1267128303.db2.gz BYVFFHVOFAJXNC-GOSISDBHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614521 1267134465 /nfs/dbraw/zinc/13/44/65/1267134465.db2.gz ARRSMHLBVKAYQR-IYBDPMFKSA-N 2 1 347.528 2.780 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004483344 1267149677 /nfs/dbraw/zinc/14/96/77/1267149677.db2.gz HPJJZPPCRBFJLQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004483344 1267149683 /nfs/dbraw/zinc/14/96/83/1267149683.db2.gz HPJJZPPCRBFJLQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501184 1267186425 /nfs/dbraw/zinc/18/64/25/1267186425.db2.gz YIDFKTGPVXVARL-VQTJNVASSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004522488 1267213155 /nfs/dbraw/zinc/21/31/55/1267213155.db2.gz NWAOWGCVOFMRMB-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522488 1267213163 /nfs/dbraw/zinc/21/31/63/1267213163.db2.gz NWAOWGCVOFMRMB-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522488 1267213171 /nfs/dbraw/zinc/21/31/71/1267213171.db2.gz NWAOWGCVOFMRMB-IHPCNDPISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623766 1267218168 /nfs/dbraw/zinc/21/81/68/1267218168.db2.gz QCUZNNGRCCIHSP-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623766 1267218174 /nfs/dbraw/zinc/21/81/74/1267218174.db2.gz QCUZNNGRCCIHSP-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219267 /nfs/dbraw/zinc/21/92/67/1267219267.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219272 /nfs/dbraw/zinc/21/92/72/1267219272.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219280 /nfs/dbraw/zinc/21/92/80/1267219280.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623979 1267221077 /nfs/dbraw/zinc/22/10/77/1267221077.db2.gz XALOQQUIQWXQPV-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623979 1267221086 /nfs/dbraw/zinc/22/10/86/1267221086.db2.gz XALOQQUIQWXQPV-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623979 1267221093 /nfs/dbraw/zinc/22/10/93/1267221093.db2.gz XALOQQUIQWXQPV-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004547026 1267268226 /nfs/dbraw/zinc/26/82/26/1267268226.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004547026 1267268231 /nfs/dbraw/zinc/26/82/31/1267268231.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004547026 1267268243 /nfs/dbraw/zinc/26/82/43/1267268243.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547591 1267270089 /nfs/dbraw/zinc/27/00/89/1267270089.db2.gz OVNDRFJWKXDXTK-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547589 1267270843 /nfs/dbraw/zinc/27/08/43/1267270843.db2.gz OVNDRFJWKXDXTK-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539358 1267279223 /nfs/dbraw/zinc/27/92/23/1267279223.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004539358 1267279231 /nfs/dbraw/zinc/27/92/31/1267279231.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004539358 1267279238 /nfs/dbraw/zinc/27/92/38/1267279238.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001004572087 1267310017 /nfs/dbraw/zinc/31/00/17/1267310017.db2.gz ZCYVKATVNSXOPU-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572087 1267310028 /nfs/dbraw/zinc/31/00/28/1267310028.db2.gz ZCYVKATVNSXOPU-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001004572087 1267310037 /nfs/dbraw/zinc/31/00/37/1267310037.db2.gz ZCYVKATVNSXOPU-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618276 1267411700 /nfs/dbraw/zinc/41/17/00/1267411700.db2.gz CVPNJMHIWPHEDI-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004620849 1267416513 /nfs/dbraw/zinc/41/65/13/1267416513.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004620849 1267416517 /nfs/dbraw/zinc/41/65/17/1267416517.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004620849 1267416522 /nfs/dbraw/zinc/41/65/22/1267416522.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151605 1267451918 /nfs/dbraw/zinc/45/19/18/1267451918.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644406 1267468424 /nfs/dbraw/zinc/46/84/24/1267468424.db2.gz BICAKVJXCVLANM-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644406 1267468427 /nfs/dbraw/zinc/46/84/27/1267468427.db2.gz BICAKVJXCVLANM-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644406 1267468430 /nfs/dbraw/zinc/46/84/30/1267468430.db2.gz BICAKVJXCVLANM-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100829 1267675593 /nfs/dbraw/zinc/67/55/93/1267675593.db2.gz HFBVOVZPQCIVAZ-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735818 1267862252 /nfs/dbraw/zinc/86/22/52/1267862252.db2.gz RLKNJYDMESCWON-LWYYNNOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735818 1267862271 /nfs/dbraw/zinc/86/22/71/1267862271.db2.gz RLKNJYDMESCWON-LWYYNNOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735818 1267862287 /nfs/dbraw/zinc/86/22/87/1267862287.db2.gz RLKNJYDMESCWON-LWYYNNOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685751 1268194301 /nfs/dbraw/zinc/19/43/01/1268194301.db2.gz AAMQTILEUKNDBR-KRWDZBQOSA-N 2 1 326.444 2.755 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781751 1268502821 /nfs/dbraw/zinc/50/28/21/1268502821.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781751 1268502828 /nfs/dbraw/zinc/50/28/28/1268502828.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781751 1268502834 /nfs/dbraw/zinc/50/28/34/1268502834.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001273127198 1268652668 /nfs/dbraw/zinc/65/26/68/1268652668.db2.gz ZKRVBPXXCPSUIP-TZIWHRDSSA-N 2 1 345.531 2.775 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001273127197 1268652778 /nfs/dbraw/zinc/65/27/78/1268652778.db2.gz ZKRVBPXXCPSUIP-CTNGQTDRSA-N 2 1 345.531 2.775 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808310 1268774848 /nfs/dbraw/zinc/77/48/48/1268774848.db2.gz NTOTXZNWCGJKLB-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809030 1268790863 /nfs/dbraw/zinc/79/08/63/1268790863.db2.gz WTONITDZBBDXFO-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792051 /nfs/dbraw/zinc/79/20/51/1268792051.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792064 /nfs/dbraw/zinc/79/20/64/1268792064.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792069 /nfs/dbraw/zinc/79/20/69/1268792069.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819209 1268868248 /nfs/dbraw/zinc/86/82/48/1268868248.db2.gz WTQJQDHBSXYVJS-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819209 1268868263 /nfs/dbraw/zinc/86/82/63/1268868263.db2.gz WTQJQDHBSXYVJS-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819209 1268868276 /nfs/dbraw/zinc/86/82/76/1268868276.db2.gz WTQJQDHBSXYVJS-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417627 1269090485 /nfs/dbraw/zinc/09/04/85/1269090485.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417627 1269090489 /nfs/dbraw/zinc/09/04/89/1269090489.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417627 1269090493 /nfs/dbraw/zinc/09/04/93/1269090493.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422668 1269127397 /nfs/dbraw/zinc/12/73/97/1269127397.db2.gz KDLBEAQFMKAOMZ-FQEVSTJZSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986433 1269398331 /nfs/dbraw/zinc/39/83/31/1269398331.db2.gz DMUBMOBRFKJHFZ-GOSISDBHSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554141 1269445447 /nfs/dbraw/zinc/44/54/47/1269445447.db2.gz ONBRZLBMWOQODF-IBGZPJMESA-N 2 1 338.455 2.985 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006280239 1269664937 /nfs/dbraw/zinc/66/49/37/1269664937.db2.gz XEUGBBFEPIWOBT-IBGZPJMESA-N 2 1 333.520 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700049 1269868611 /nfs/dbraw/zinc/86/86/11/1269868611.db2.gz TVOZXYBQTZNQKZ-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385078 1270254516 /nfs/dbraw/zinc/25/45/16/1270254516.db2.gz OMUZNTFLDOEXCL-MRXNPFEDSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385078 1270254512 /nfs/dbraw/zinc/25/45/12/1270254512.db2.gz OMUZNTFLDOEXCL-MRXNPFEDSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832469 1270296472 /nfs/dbraw/zinc/29/64/72/1270296472.db2.gz FWPIRSSEFDTUAF-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832469 1270296483 /nfs/dbraw/zinc/29/64/83/1270296483.db2.gz FWPIRSSEFDTUAF-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832469 1270296491 /nfs/dbraw/zinc/29/64/91/1270296491.db2.gz FWPIRSSEFDTUAF-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395922 1270336996 /nfs/dbraw/zinc/33/69/96/1270336996.db2.gz LBWXMLHTMHNQEP-GOSISDBHSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086176551 1270352405 /nfs/dbraw/zinc/35/24/05/1270352405.db2.gz GBOZXDOJHNHMJK-ZIFCJYIRSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955289 1270687014 /nfs/dbraw/zinc/68/70/14/1270687014.db2.gz XVYXWXAMGBJZEG-HXUWFJFHSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012537 1270828447 /nfs/dbraw/zinc/82/84/47/1270828447.db2.gz PRPNJSDRXNUUQF-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001034047127 1270958227 /nfs/dbraw/zinc/95/82/27/1270958227.db2.gz ZPDUCPKCAYBNDZ-HXUWFJFHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001034047126 1270958247 /nfs/dbraw/zinc/95/82/47/1270958247.db2.gz ZPDUCPKCAYBNDZ-FQEVSTJZSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211850 1271367305 /nfs/dbraw/zinc/36/73/05/1271367305.db2.gz PCNCHKWMAIHKIB-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211850 1271367310 /nfs/dbraw/zinc/36/73/10/1271367310.db2.gz PCNCHKWMAIHKIB-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211850 1271367320 /nfs/dbraw/zinc/36/73/20/1271367320.db2.gz PCNCHKWMAIHKIB-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238956 1271440261 /nfs/dbraw/zinc/44/02/61/1271440261.db2.gz PRVINDZIQZPTSB-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238956 1271440265 /nfs/dbraw/zinc/44/02/65/1271440265.db2.gz PRVINDZIQZPTSB-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238956 1271440269 /nfs/dbraw/zinc/44/02/69/1271440269.db2.gz PRVINDZIQZPTSB-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238956 1271440272 /nfs/dbraw/zinc/44/02/72/1271440272.db2.gz PRVINDZIQZPTSB-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724076 1278642738 /nfs/dbraw/zinc/64/27/38/1278642738.db2.gz GNCDHMNFUFDMJV-SFHVURJKSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724076 1278642754 /nfs/dbraw/zinc/64/27/54/1278642754.db2.gz GNCDHMNFUFDMJV-SFHVURJKSA-N 2 1 329.488 2.617 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366648 1271785946 /nfs/dbraw/zinc/78/59/46/1271785946.db2.gz BZKVCJGBRKOVEN-UYAOXDASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034366143 1271787651 /nfs/dbraw/zinc/78/76/51/1271787651.db2.gz XEOCVVIFIFWHLX-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366143 1271787658 /nfs/dbraw/zinc/78/76/58/1271787658.db2.gz XEOCVVIFIFWHLX-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366143 1271787664 /nfs/dbraw/zinc/78/76/64/1271787664.db2.gz XEOCVVIFIFWHLX-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404562 1271909286 /nfs/dbraw/zinc/90/92/86/1271909286.db2.gz KEEMBSKXXXWOMR-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480730 1272086242 /nfs/dbraw/zinc/08/62/42/1272086242.db2.gz NBSQIDIVVSPSJI-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480730 1272086255 /nfs/dbraw/zinc/08/62/55/1272086255.db2.gz NBSQIDIVVSPSJI-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480730 1272086265 /nfs/dbraw/zinc/08/62/65/1272086265.db2.gz NBSQIDIVVSPSJI-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034643116 1272432609 /nfs/dbraw/zinc/43/26/09/1272432609.db2.gz PMUKGJMMVDAYOZ-VQHPVUNQSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034643112 1272432962 /nfs/dbraw/zinc/43/29/62/1272432962.db2.gz PMUKGJMMVDAYOZ-QAETUUGQSA-N 2 1 339.911 2.630 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034663590 1272450290 /nfs/dbraw/zinc/45/02/90/1272450290.db2.gz FMCSHNUQQYJYFZ-UFYCRDLUSA-N 2 1 343.515 2.601 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034663590 1272450298 /nfs/dbraw/zinc/45/02/98/1272450298.db2.gz FMCSHNUQQYJYFZ-UFYCRDLUSA-N 2 1 343.515 2.601 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005580463 1272492786 /nfs/dbraw/zinc/49/27/86/1272492786.db2.gz GPMVQOCNLDHSDA-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034674557 1272504347 /nfs/dbraw/zinc/50/43/47/1272504347.db2.gz JNHLPIIUMKVEDN-VQHPVUNQSA-N 2 1 339.911 2.773 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133884 1272694091 /nfs/dbraw/zinc/69/40/91/1272694091.db2.gz MLYALJTXBLKTDA-LCWAXJCOSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133884 1272694098 /nfs/dbraw/zinc/69/40/98/1272694098.db2.gz MLYALJTXBLKTDA-LCWAXJCOSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133884 1272694103 /nfs/dbraw/zinc/69/41/03/1272694103.db2.gz MLYALJTXBLKTDA-LCWAXJCOSA-N 2 1 334.504 2.685 20 30 EFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169351424 1272839312 /nfs/dbraw/zinc/83/93/12/1272839312.db2.gz ZETZHPITNGAQOQ-IRXDYDNUSA-N 2 1 328.497 2.718 20 30 EFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169351424 1272839326 /nfs/dbraw/zinc/83/93/26/1272839326.db2.gz ZETZHPITNGAQOQ-IRXDYDNUSA-N 2 1 328.497 2.718 20 30 EFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169351421 1272839522 /nfs/dbraw/zinc/83/95/22/1272839522.db2.gz ZETZHPITNGAQOQ-DLBZAZTESA-N 2 1 328.497 2.718 20 30 EFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169351421 1272839534 /nfs/dbraw/zinc/83/95/34/1272839534.db2.gz ZETZHPITNGAQOQ-DLBZAZTESA-N 2 1 328.497 2.718 20 30 EFEDMP C=CC[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)C(=O)OC ZINC001169838067 1273189950 /nfs/dbraw/zinc/18/99/50/1273189950.db2.gz KEESREZPARWTIT-JKSUJKDBSA-N 2 1 342.443 2.881 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108714657 1273394306 /nfs/dbraw/zinc/39/43/06/1273394306.db2.gz LQEDCCMUWITSSM-SCTDSRPQSA-N 2 1 345.531 2.632 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764391 1273467481 /nfs/dbraw/zinc/46/74/81/1273467481.db2.gz KQDGYFVBIPPSLY-JYJNAYRXSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199562 1273768732 /nfs/dbraw/zinc/76/87/32/1273768732.db2.gz LUCBASQNSQLTOH-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199562 1273768746 /nfs/dbraw/zinc/76/87/46/1273768746.db2.gz LUCBASQNSQLTOH-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199562 1273768754 /nfs/dbraw/zinc/76/87/54/1273768754.db2.gz LUCBASQNSQLTOH-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035201265 1273772878 /nfs/dbraw/zinc/77/28/78/1273772878.db2.gz TVIFDPVNEKOJIQ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035201265 1273772881 /nfs/dbraw/zinc/77/28/81/1273772881.db2.gz TVIFDPVNEKOJIQ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035201265 1273772885 /nfs/dbraw/zinc/77/28/85/1273772885.db2.gz TVIFDPVNEKOJIQ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035201920 1273773694 /nfs/dbraw/zinc/77/36/94/1273773694.db2.gz OCEZHJXZZNFBBD-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035201920 1273773701 /nfs/dbraw/zinc/77/37/01/1273773701.db2.gz OCEZHJXZZNFBBD-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035201920 1273773711 /nfs/dbraw/zinc/77/37/11/1273773711.db2.gz OCEZHJXZZNFBBD-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187093 1273792931 /nfs/dbraw/zinc/79/29/31/1273792931.db2.gz PCWDTIUGRMXEOV-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187093 1273792937 /nfs/dbraw/zinc/79/29/37/1273792937.db2.gz PCWDTIUGRMXEOV-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188589 1273797662 /nfs/dbraw/zinc/79/76/62/1273797662.db2.gz GGDWPBZHSQUSFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188589 1273797672 /nfs/dbraw/zinc/79/76/72/1273797672.db2.gz GGDWPBZHSQUSFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188589 1273797680 /nfs/dbraw/zinc/79/76/80/1273797680.db2.gz GGDWPBZHSQUSFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035225386 1273841828 /nfs/dbraw/zinc/84/18/28/1273841828.db2.gz XFGGYNKYAKVFRR-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035227074 1273847025 /nfs/dbraw/zinc/84/70/25/1273847025.db2.gz NMYNELBQXPZJDG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227074 1273847034 /nfs/dbraw/zinc/84/70/34/1273847034.db2.gz NMYNELBQXPZJDG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227074 1273847039 /nfs/dbraw/zinc/84/70/39/1273847039.db2.gz NMYNELBQXPZJDG-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216354 1273876084 /nfs/dbraw/zinc/87/60/84/1273876084.db2.gz ZDFOHKWNOQFYGZ-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216354 1273876092 /nfs/dbraw/zinc/87/60/92/1273876092.db2.gz ZDFOHKWNOQFYGZ-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216354 1273876099 /nfs/dbraw/zinc/87/60/99/1273876099.db2.gz ZDFOHKWNOQFYGZ-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238530 1273903418 /nfs/dbraw/zinc/90/34/18/1273903418.db2.gz CMOMGUAWMATYQQ-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260151 1273955014 /nfs/dbraw/zinc/95/50/14/1273955014.db2.gz PBYDXHPZGDXBCR-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307870 1274107366 /nfs/dbraw/zinc/10/73/66/1274107366.db2.gz FMMKGDKNYZNUKD-YVSFHVDLSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307870 1274107373 /nfs/dbraw/zinc/10/73/73/1274107373.db2.gz FMMKGDKNYZNUKD-YVSFHVDLSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109433304 1274270338 /nfs/dbraw/zinc/27/03/38/1274270338.db2.gz INYQYIPRPGUPDA-OWSLCNJRSA-N 2 1 330.476 2.768 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709574 1274390604 /nfs/dbraw/zinc/39/06/04/1274390604.db2.gz ZDEMQZSGPHCXKQ-KRWDZBQOSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(Cl)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725271 1274413045 /nfs/dbraw/zinc/41/30/45/1274413045.db2.gz LMZNVJSPIDOYKZ-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560476 1274418742 /nfs/dbraw/zinc/41/87/42/1274418742.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560476 1274418750 /nfs/dbraw/zinc/41/87/50/1274418750.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560476 1274418755 /nfs/dbraw/zinc/41/87/55/1274418755.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035732959 1274422182 /nfs/dbraw/zinc/42/21/82/1274422182.db2.gz JXHJEXVGKJVEOK-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035732963 1274422575 /nfs/dbraw/zinc/42/25/75/1274422575.db2.gz JXHJEXVGKJVEOK-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733007 1274423523 /nfs/dbraw/zinc/42/35/23/1274423523.db2.gz KXTJZNYNCDXXRZ-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035733035 1274423726 /nfs/dbraw/zinc/42/37/26/1274423726.db2.gz LXYAXTHKDRJDRB-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733010 1274424021 /nfs/dbraw/zinc/42/40/21/1274424021.db2.gz KXTJZNYNCDXXRZ-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035799531 1274489539 /nfs/dbraw/zinc/48/95/39/1274489539.db2.gz YCDUKWNQSBCJIC-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635565 1274505450 /nfs/dbraw/zinc/50/54/50/1274505450.db2.gz IOUZCCBQZMBWQG-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635565 1274505452 /nfs/dbraw/zinc/50/54/52/1274505452.db2.gz IOUZCCBQZMBWQG-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635565 1274505458 /nfs/dbraw/zinc/50/54/58/1274505458.db2.gz IOUZCCBQZMBWQG-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035857201 1274605598 /nfs/dbraw/zinc/60/55/98/1274605598.db2.gz JRERECJIGKMPOR-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171118195 1278898515 /nfs/dbraw/zinc/89/85/15/1278898515.db2.gz DIAFUJDDAMIZIG-HOTGVXAUSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171118193 1278898584 /nfs/dbraw/zinc/89/85/84/1278898584.db2.gz DIAFUJDDAMIZIG-CVEARBPZSA-N 2 1 329.916 2.878 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975779 1274920391 /nfs/dbraw/zinc/92/03/91/1274920391.db2.gz DCQAZCNIXIEAMJ-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975779 1274920403 /nfs/dbraw/zinc/92/04/03/1274920403.db2.gz DCQAZCNIXIEAMJ-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975779 1274920415 /nfs/dbraw/zinc/92/04/15/1274920415.db2.gz DCQAZCNIXIEAMJ-YRXWBPOGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036202814 1275219880 /nfs/dbraw/zinc/21/98/80/1275219880.db2.gz KVSXTWXMXFHTER-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578295 1275284217 /nfs/dbraw/zinc/28/42/17/1275284217.db2.gz HWIMVWMMUOVMDL-ZJOUEHCJSA-N 2 1 347.547 2.903 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586377 1275313002 /nfs/dbraw/zinc/31/30/02/1275313002.db2.gz WRCIGSDVJRSQNV-ZJOUEHCJSA-N 2 1 341.499 2.694 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974067 1276271136 /nfs/dbraw/zinc/27/11/36/1276271136.db2.gz HYRDLBWENSVQKN-DLBZAZTESA-N 2 1 344.503 2.663 20 30 EFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001273146129 1276303910 /nfs/dbraw/zinc/30/39/10/1276303910.db2.gz HTAIHEAMLNYZQV-OALUTQOASA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965611 1276352723 /nfs/dbraw/zinc/35/27/23/1276352723.db2.gz LIKZWIOAVCVXJA-MJGOQNOKSA-N 2 1 333.520 2.892 20 30 EFEDMP C[N@@H+](C[C@@H](O)CNCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092107 1276603327 /nfs/dbraw/zinc/60/33/27/1276603327.db2.gz RJQQATVWNBJMFP-KRWDZBQOSA-N 2 1 341.480 2.831 20 30 EFEDMP CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092107 1276603333 /nfs/dbraw/zinc/60/33/33/1276603333.db2.gz RJQQATVWNBJMFP-KRWDZBQOSA-N 2 1 341.480 2.831 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174931020 1287235975 /nfs/dbraw/zinc/23/59/75/1287235975.db2.gz ZZENOAIQVJSQTM-RDJZCZTQSA-N 2 1 332.492 2.595 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819334044 1276733109 /nfs/dbraw/zinc/73/31/09/1276733109.db2.gz BQESKFGZYKICIE-UHFFFAOYSA-N 2 1 341.377 2.579 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819334044 1276733116 /nfs/dbraw/zinc/73/31/16/1276733116.db2.gz BQESKFGZYKICIE-UHFFFAOYSA-N 2 1 341.377 2.579 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927393 1287251824 /nfs/dbraw/zinc/25/18/24/1287251824.db2.gz DURLYLKTEOZBSI-AEFFLSMTSA-N 2 1 346.519 2.985 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000820847297 1277345670 /nfs/dbraw/zinc/34/56/70/1277345670.db2.gz YNZJWPZVXOYHHV-UHFFFAOYSA-N 2 1 335.455 2.508 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000820847297 1277345677 /nfs/dbraw/zinc/34/56/77/1277345677.db2.gz YNZJWPZVXOYHHV-UHFFFAOYSA-N 2 1 335.455 2.508 20 30 EFEDMP C=CC[N@H+](CC1CCCCC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790361211 1277462830 /nfs/dbraw/zinc/46/28/30/1277462830.db2.gz CQUJLBRTPWTVEV-FQEVSTJZSA-N 2 1 347.503 2.929 20 30 EFEDMP C=CC[N@@H+](CC1CCCCC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790361211 1277462839 /nfs/dbraw/zinc/46/28/39/1277462839.db2.gz CQUJLBRTPWTVEV-FQEVSTJZSA-N 2 1 347.503 2.929 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001171195782 1279752304 /nfs/dbraw/zinc/75/23/04/1279752304.db2.gz UKWNMVLKYWAOPA-MRXNPFEDSA-N 3 1 330.520 2.965 20 30 EFEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262670 1287384092 /nfs/dbraw/zinc/38/40/92/1287384092.db2.gz JMWAUZLXGFWQCF-YJBOKZPZSA-N 2 1 327.488 2.650 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000794146859 1280046799 /nfs/dbraw/zinc/04/67/99/1280046799.db2.gz HSTCVQFVIOLYNX-LJQANCHMSA-N 2 1 329.488 2.523 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171245594 1280417465 /nfs/dbraw/zinc/41/74/65/1280417465.db2.gz ABLXGPODVAAZED-PKOBYXMFSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171246865 1280431765 /nfs/dbraw/zinc/43/17/65/1280431765.db2.gz HDBJITVHTHOIMU-SJORKVTESA-N 2 1 332.492 2.991 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707346 1281005113 /nfs/dbraw/zinc/00/51/13/1281005113.db2.gz RGRRMCIEMCOGRA-QZTJIDSGSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707346 1281005121 /nfs/dbraw/zinc/00/51/21/1281005121.db2.gz RGRRMCIEMCOGRA-QZTJIDSGSA-N 2 1 331.504 2.958 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171306977 1281185079 /nfs/dbraw/zinc/18/50/79/1281185079.db2.gz DTPPCSCDAMHZPO-ICSRJNTNSA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171306977 1281185084 /nfs/dbraw/zinc/18/50/84/1281185084.db2.gz DTPPCSCDAMHZPO-ICSRJNTNSA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171306979 1281185730 /nfs/dbraw/zinc/18/57/30/1281185730.db2.gz DTPPCSCDAMHZPO-QUCCMNQESA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171306979 1281185734 /nfs/dbraw/zinc/18/57/34/1281185734.db2.gz DTPPCSCDAMHZPO-QUCCMNQESA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658274 1281230983 /nfs/dbraw/zinc/23/09/83/1281230983.db2.gz NWAPVKRMXUSMQJ-SJORKVTESA-N 2 1 339.499 2.555 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564743 1287486466 /nfs/dbraw/zinc/48/64/66/1287486466.db2.gz DXRPWRJPXIYOAI-QGZVFWFLSA-N 2 1 332.492 2.685 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147835207 1281309816 /nfs/dbraw/zinc/30/98/16/1281309816.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835207 1281309824 /nfs/dbraw/zinc/30/98/24/1281309824.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835207 1281309836 /nfs/dbraw/zinc/30/98/36/1281309836.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847222 1281319648 /nfs/dbraw/zinc/31/96/48/1281319648.db2.gz QVMICRPVYCRDHE-KRWDZBQOSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147890020 1281324632 /nfs/dbraw/zinc/32/46/32/1281324632.db2.gz PTFRVRQBIFLJGO-MRXNPFEDSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993570 1281395505 /nfs/dbraw/zinc/39/55/05/1281395505.db2.gz WIMIYDJFSIBIML-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684794 1281443576 /nfs/dbraw/zinc/44/35/76/1281443576.db2.gz QMQYOAMHHXNLSA-QKLQHJQFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684794 1281443581 /nfs/dbraw/zinc/44/35/81/1281443581.db2.gz QMQYOAMHHXNLSA-QKLQHJQFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284845 1281493376 /nfs/dbraw/zinc/49/33/76/1281493376.db2.gz HJJITXDIOAAOPG-ROUUACIJSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148384684 1281542342 /nfs/dbraw/zinc/54/23/42/1281542342.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148384684 1281542350 /nfs/dbraw/zinc/54/23/50/1281542350.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148384684 1281542361 /nfs/dbraw/zinc/54/23/61/1281542361.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001148445358 1281575632 /nfs/dbraw/zinc/57/56/32/1281575632.db2.gz PORZOVWKGPWXSB-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731748 1281639639 /nfs/dbraw/zinc/63/96/39/1281639639.db2.gz VGNIZARVGUCTHA-ZVDOUQERSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731748 1281639650 /nfs/dbraw/zinc/63/96/50/1281639650.db2.gz VGNIZARVGUCTHA-ZVDOUQERSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731748 1281639663 /nfs/dbraw/zinc/63/96/63/1281639663.db2.gz VGNIZARVGUCTHA-ZVDOUQERSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4nccn43)C[C@]2(C)C1 ZINC001091737492 1281685065 /nfs/dbraw/zinc/68/50/65/1281685065.db2.gz GOAJILGVKPILRB-UWVAXJGDSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091737492 1281685073 /nfs/dbraw/zinc/68/50/73/1281685073.db2.gz GOAJILGVKPILRB-UWVAXJGDSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091737492 1281685083 /nfs/dbraw/zinc/68/50/83/1281685083.db2.gz GOAJILGVKPILRB-UWVAXJGDSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910325 1281913039 /nfs/dbraw/zinc/91/30/39/1281913039.db2.gz QXRIOVBSWHWSSO-HZPDHXFCSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086923796 1281938091 /nfs/dbraw/zinc/93/80/91/1281938091.db2.gz BNFOYHWOFIMKIA-KZNAEPCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924694 1281941036 /nfs/dbraw/zinc/94/10/36/1281941036.db2.gz ZNDLYBHIQRRLRF-IPMKNSEASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939623 1281966561 /nfs/dbraw/zinc/96/65/61/1281966561.db2.gz VYLYISFFCJDCEA-FHWLQOOXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086946153 1281982677 /nfs/dbraw/zinc/98/26/77/1281982677.db2.gz RHNCHAFBYWUQIV-KRWDZBQOSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366632 /nfs/dbraw/zinc/36/66/32/1282366632.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366641 /nfs/dbraw/zinc/36/66/41/1282366641.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366649 /nfs/dbraw/zinc/36/66/49/1282366649.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092189605 1282448530 /nfs/dbraw/zinc/44/85/30/1282448530.db2.gz GHVLZNSLSROBOJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189605 1282448534 /nfs/dbraw/zinc/44/85/34/1282448534.db2.gz GHVLZNSLSROBOJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189605 1282448538 /nfs/dbraw/zinc/44/85/38/1282448538.db2.gz GHVLZNSLSROBOJ-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304317 1282551622 /nfs/dbraw/zinc/55/16/22/1282551622.db2.gz GOUNEFGPCMNSSY-DYXWJJEUSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304317 1282551631 /nfs/dbraw/zinc/55/16/31/1282551631.db2.gz GOUNEFGPCMNSSY-DYXWJJEUSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608019 1282841300 /nfs/dbraw/zinc/84/13/00/1282841300.db2.gz HVELFWKBJSCYFW-FGTMMUONSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608019 1282841308 /nfs/dbraw/zinc/84/13/08/1282841308.db2.gz HVELFWKBJSCYFW-FGTMMUONSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608019 1282841317 /nfs/dbraw/zinc/84/13/17/1282841317.db2.gz HVELFWKBJSCYFW-FGTMMUONSA-N 2 1 333.520 2.511 20 30 EFEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000810217436 1283044910 /nfs/dbraw/zinc/04/49/10/1283044910.db2.gz DJPTWJUPVZUFCA-ICSRJNTNSA-N 2 1 325.456 2.779 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141016 1283065211 /nfs/dbraw/zinc/06/52/11/1283065211.db2.gz NXGPFYKMWIHXHF-ROUUACIJSA-N 2 1 344.503 2.843 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141524 1283068637 /nfs/dbraw/zinc/06/86/37/1283068637.db2.gz RJXUJBLIPOIKKP-QZTJIDSGSA-N 2 1 344.503 2.843 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173344 1283086746 /nfs/dbraw/zinc/08/67/46/1283086746.db2.gz LEWVCGYGMSWENB-DOTOQJQBSA-N 2 1 326.444 2.883 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206828 1283157379 /nfs/dbraw/zinc/15/73/79/1283157379.db2.gz OEZVJSNRMIEJEJ-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206828 1283157382 /nfs/dbraw/zinc/15/73/82/1283157382.db2.gz OEZVJSNRMIEJEJ-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206828 1283157388 /nfs/dbraw/zinc/15/73/88/1283157388.db2.gz OEZVJSNRMIEJEJ-ROUUACIJSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731150 1283290557 /nfs/dbraw/zinc/29/05/57/1283290557.db2.gz OZGOODZRKRRSIE-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748411 1283394525 /nfs/dbraw/zinc/39/45/25/1283394525.db2.gz DLUYIHFACIPCDH-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754518 1283420841 /nfs/dbraw/zinc/42/08/41/1283420841.db2.gz HLXXQRWVHHNOLA-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754518 1283420846 /nfs/dbraw/zinc/42/08/46/1283420846.db2.gz HLXXQRWVHHNOLA-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754518 1283420852 /nfs/dbraw/zinc/42/08/52/1283420852.db2.gz HLXXQRWVHHNOLA-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426212 1283551457 /nfs/dbraw/zinc/55/14/57/1283551457.db2.gz UCMYZEWWHBITEM-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793598 1283723851 /nfs/dbraw/zinc/72/38/51/1283723851.db2.gz HYXQXUGQVJKVJW-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793595 1283724671 /nfs/dbraw/zinc/72/46/71/1283724671.db2.gz HYXQXUGQVJKVJW-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801284 1283767832 /nfs/dbraw/zinc/76/78/32/1283767832.db2.gz JDZNCVJMGJADFE-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093361299 1283784619 /nfs/dbraw/zinc/78/46/19/1283784619.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093361299 1283784627 /nfs/dbraw/zinc/78/46/27/1283784627.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093361299 1283784633 /nfs/dbraw/zinc/78/46/33/1283784633.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374024 1283819420 /nfs/dbraw/zinc/81/94/20/1283819420.db2.gz XJOBZMMMFKHGED-MSOLQXFVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541413 1283862209 /nfs/dbraw/zinc/86/22/09/1283862209.db2.gz FDROGFIKBAYHGX-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541413 1283862219 /nfs/dbraw/zinc/86/22/19/1283862219.db2.gz FDROGFIKBAYHGX-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541413 1283862230 /nfs/dbraw/zinc/86/22/30/1283862230.db2.gz FDROGFIKBAYHGX-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541413 1283862242 /nfs/dbraw/zinc/86/22/42/1283862242.db2.gz FDROGFIKBAYHGX-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652155 1287672209 /nfs/dbraw/zinc/67/22/09/1287672209.db2.gz RGIJEIDQTHCGSN-AEFFLSMTSA-N 2 1 329.444 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652155 1287672211 /nfs/dbraw/zinc/67/22/11/1287672211.db2.gz RGIJEIDQTHCGSN-AEFFLSMTSA-N 2 1 329.444 2.851 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941008 1284497281 /nfs/dbraw/zinc/49/72/81/1284497281.db2.gz DJDBFTLZJUQLBD-ROUUACIJSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120148 1287717279 /nfs/dbraw/zinc/71/72/79/1287717279.db2.gz JRIZFNRSPPLZIB-UYAOXDASSA-N 2 1 343.515 2.967 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011369 1284653224 /nfs/dbraw/zinc/65/32/24/1284653224.db2.gz IZGVMRHVXFCVGT-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011367 1284654477 /nfs/dbraw/zinc/65/44/77/1284654477.db2.gz IZGVMRHVXFCVGT-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117356 1284823588 /nfs/dbraw/zinc/82/35/88/1284823588.db2.gz JPGZBSZZJACEED-HOCLYGCPSA-N 2 1 341.927 2.545 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121977 1284831492 /nfs/dbraw/zinc/83/14/92/1284831492.db2.gz NCNQZMJGAYCEED-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165390 1284921914 /nfs/dbraw/zinc/92/19/14/1284921914.db2.gz GCMXYQVNPWZDQK-WMZOPIPTSA-N 2 1 332.492 2.622 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165515 1284923072 /nfs/dbraw/zinc/92/30/72/1284923072.db2.gz IJRITNCYWOSTQS-AEFFLSMTSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418205 1285046222 /nfs/dbraw/zinc/04/62/22/1285046222.db2.gz MXECGCIANHOYCX-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418205 1285046229 /nfs/dbraw/zinc/04/62/29/1285046229.db2.gz MXECGCIANHOYCX-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418205 1285046236 /nfs/dbraw/zinc/04/62/36/1285046236.db2.gz MXECGCIANHOYCX-JRBPQWBISA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430202 1285072579 /nfs/dbraw/zinc/07/25/79/1285072579.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430202 1285072589 /nfs/dbraw/zinc/07/25/89/1285072589.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430202 1285072598 /nfs/dbraw/zinc/07/25/98/1285072598.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450655 1285119466 /nfs/dbraw/zinc/11/94/66/1285119466.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450655 1285119473 /nfs/dbraw/zinc/11/94/73/1285119473.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450655 1285119483 /nfs/dbraw/zinc/11/94/83/1285119483.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158232 1285243035 /nfs/dbraw/zinc/24/30/35/1285243035.db2.gz IKIPXHOFGZVMSK-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133403958 1285355477 /nfs/dbraw/zinc/35/54/77/1285355477.db2.gz RJUUVWYTGZTAIK-CRAIPNDOSA-N 2 1 349.906 2.642 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001133407824 1285368141 /nfs/dbraw/zinc/36/81/41/1285368141.db2.gz PDRRSVXVRRFGDZ-KRWDZBQOSA-N 2 1 349.906 2.786 20 30 EFEDMP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410764 1285373573 /nfs/dbraw/zinc/37/35/73/1285373573.db2.gz ZZTLNLILIKDBCM-KRWDZBQOSA-N 2 1 349.906 2.786 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902142 1285379564 /nfs/dbraw/zinc/37/95/64/1285379564.db2.gz FTIDTFXQGIFPEI-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902139 1285380801 /nfs/dbraw/zinc/38/08/01/1285380801.db2.gz FTIDTFXQGIFPEI-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903100 1285385887 /nfs/dbraw/zinc/38/58/87/1285385887.db2.gz VOPCOCFVGGXIQZ-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903973 1285391278 /nfs/dbraw/zinc/39/12/78/1285391278.db2.gz KEQJERDBWDYJKS-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903971 1285391672 /nfs/dbraw/zinc/39/16/72/1285391672.db2.gz KEQJERDBWDYJKS-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161797 1285507493 /nfs/dbraw/zinc/50/74/93/1285507493.db2.gz UBOCUKXRPAXMSH-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825708 1285795467 /nfs/dbraw/zinc/79/54/67/1285795467.db2.gz GUAHNRMZHVCMOM-MRXNPFEDSA-N 2 1 332.492 2.603 20 30 EFEDMP C#CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977054 1285959883 /nfs/dbraw/zinc/95/98/83/1285959883.db2.gz WSDSBGXDHPBBJL-HXUWFJFHSA-N 2 1 344.499 2.686 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172118860 1286026637 /nfs/dbraw/zinc/02/66/37/1286026637.db2.gz QVQPKEHVKGXFOO-XFKSJGNHSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172118860 1286026641 /nfs/dbraw/zinc/02/66/41/1286026641.db2.gz QVQPKEHVKGXFOO-XFKSJGNHSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118860 1286026647 /nfs/dbraw/zinc/02/66/47/1286026647.db2.gz QVQPKEHVKGXFOO-XFKSJGNHSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118860 1286026650 /nfs/dbraw/zinc/02/66/50/1286026650.db2.gz QVQPKEHVKGXFOO-XFKSJGNHSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172118855 1286026822 /nfs/dbraw/zinc/02/68/22/1286026822.db2.gz QVQPKEHVKGXFOO-DMUMMCEESA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172118855 1286026828 /nfs/dbraw/zinc/02/68/28/1286026828.db2.gz QVQPKEHVKGXFOO-DMUMMCEESA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118855 1286026833 /nfs/dbraw/zinc/02/68/33/1286026833.db2.gz QVQPKEHVKGXFOO-DMUMMCEESA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118855 1286026836 /nfs/dbraw/zinc/02/68/36/1286026836.db2.gz QVQPKEHVKGXFOO-DMUMMCEESA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117343 1286027308 /nfs/dbraw/zinc/02/73/08/1286027308.db2.gz IYOLUVYPRXBATP-PIIMJCKOSA-N 2 1 331.504 2.645 20 30 EFEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172496261 1286170262 /nfs/dbraw/zinc/17/02/62/1286170262.db2.gz ZAXQFOSTOBWQTE-KRWDZBQOSA-N 2 1 329.492 2.933 20 30 EFEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126173 1286373345 /nfs/dbraw/zinc/37/33/45/1286373345.db2.gz CDOJRNXPTBXYPQ-UXHICEINSA-N 2 1 343.515 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742339 1286524570 /nfs/dbraw/zinc/52/45/70/1286524570.db2.gz LEIMEVYKKGRYSE-CVEARBPZSA-N 2 1 329.916 2.876 20 30 EFEDMP N#CCC1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001173334662 1286530170 /nfs/dbraw/zinc/53/01/70/1286530170.db2.gz ZXTQPZRTQOUEBB-UHFFFAOYSA-N 2 1 341.503 2.809 20 30 EFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341477 1286531301 /nfs/dbraw/zinc/53/13/01/1286531301.db2.gz WRACKOCWUNHSST-LXPRWKDFSA-N 2 1 347.503 2.808 20 30 EFEDMP CC[C@@H]1CN(C(NC[C@H]2CCC[N@@H+](CC(C)C)C2)=[NH+]C)CCS1 ZINC000123651652 1287121427 /nfs/dbraw/zinc/12/14/27/1287121427.db2.gz QQDNBYAVDJNHHD-IAGOWNOFSA-N 2 1 340.581 2.757 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774257 1287171964 /nfs/dbraw/zinc/17/19/64/1287171964.db2.gz WWPJSWQRVWOBFT-HZPDHXFCSA-N 2 1 344.503 2.661 20 30 EFEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481205 1288037181 /nfs/dbraw/zinc/03/71/81/1288037181.db2.gz RGOBHBJMVMRYGQ-ZWKOTPCHSA-N 2 1 331.504 2.610 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760168 1288122560 /nfs/dbraw/zinc/12/25/60/1288122560.db2.gz QWRXDZQTWDYJOD-JKSUJKDBSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816841192 1288284369 /nfs/dbraw/zinc/28/43/69/1288284369.db2.gz TWBGZCSGSDMPKN-UHFFFAOYSA-N 2 1 336.439 2.701 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335831 1288396767 /nfs/dbraw/zinc/39/67/67/1288396767.db2.gz MKJLTQKJAPSGFN-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177415702 1288423997 /nfs/dbraw/zinc/42/39/97/1288423997.db2.gz IQNSKJNEOWLBTJ-PKOBYXMFSA-N 2 1 335.536 2.759 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440577 1288442599 /nfs/dbraw/zinc/44/25/99/1288442599.db2.gz LVXPZTWCAXJYTQ-VQTJNVASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707468 1288879819 /nfs/dbraw/zinc/87/98/19/1288879819.db2.gz HEAPDMURAJPCOO-LNLFQRSKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178729376 1288900685 /nfs/dbraw/zinc/90/06/85/1288900685.db2.gz VUVIFXKXQOBWCD-MRXNPFEDSA-N 2 1 329.916 2.880 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587340 1289189492 /nfs/dbraw/zinc/18/94/92/1289189492.db2.gz YTMQRUBSVQZIFJ-GOSISDBHSA-N 2 1 346.519 2.986 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001179589830 1289191043 /nfs/dbraw/zinc/19/10/43/1289191043.db2.gz CIZDKZRBFMUCRP-UHFFFAOYSA-N 2 1 348.491 2.726 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585443 1289203204 /nfs/dbraw/zinc/20/32/04/1289203204.db2.gz HYFZJJAARONWOH-SFHVURJKSA-N 2 1 346.519 2.986 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927124 1312705988 /nfs/dbraw/zinc/70/59/88/1312705988.db2.gz RJXGJDVDDBXWLO-SFHVURJKSA-N 2 1 335.536 2.949 20 30 EFEDMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180369767 1289516388 /nfs/dbraw/zinc/51/63/88/1289516388.db2.gz WJSOENCQGRZEOG-UHFFFAOYSA-N 2 1 344.503 2.665 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181517562 1289852301 /nfs/dbraw/zinc/85/23/01/1289852301.db2.gz IVTDWEGTXHSVJY-AJYBTWMASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727709 1289917307 /nfs/dbraw/zinc/91/73/07/1289917307.db2.gz CKYWWOMVYLZXHR-FUHIMQAGSA-N 2 1 344.503 2.801 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624557 1289924458 /nfs/dbraw/zinc/92/44/58/1289924458.db2.gz UVYDQJFTYWCLFJ-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624557 1289924470 /nfs/dbraw/zinc/92/44/70/1289924470.db2.gz UVYDQJFTYWCLFJ-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624557 1289924482 /nfs/dbraw/zinc/92/44/82/1289924482.db2.gz UVYDQJFTYWCLFJ-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCC)C1 ZINC001181764889 1289934225 /nfs/dbraw/zinc/93/42/25/1289934225.db2.gz ZWYYAIYFXFIBFZ-SVFBPWRDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCC)C1 ZINC001181764889 1289934229 /nfs/dbraw/zinc/93/42/29/1289934229.db2.gz ZWYYAIYFXFIBFZ-SVFBPWRDSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205662 1312746123 /nfs/dbraw/zinc/74/61/23/1312746123.db2.gz TWPKCMMZIVARDL-UHFFFAOYSA-N 2 1 344.503 2.604 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623368 1290226211 /nfs/dbraw/zinc/22/62/11/1290226211.db2.gz LGNDGDZCYZSMAU-RDTXWAMCSA-N 2 1 343.943 2.791 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623105 1290226480 /nfs/dbraw/zinc/22/64/80/1290226480.db2.gz BIHBKFPFLFHAJQ-YLJYHZDGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517096 1290353421 /nfs/dbraw/zinc/35/34/21/1290353421.db2.gz OQRUDKZKMQQJHW-YFVAEKQCSA-N 2 1 343.515 2.940 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892548 1290538809 /nfs/dbraw/zinc/53/88/09/1290538809.db2.gz QKCDTWHNOIURNE-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892106 1290538872 /nfs/dbraw/zinc/53/88/72/1290538872.db2.gz MYVOJIQUXKQHIP-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892105 1290538894 /nfs/dbraw/zinc/53/88/94/1290538894.db2.gz MYVOJIQUXKQHIP-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)CC1 ZINC001186597343 1290995053 /nfs/dbraw/zinc/99/50/53/1290995053.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186597343 1290995060 /nfs/dbraw/zinc/99/50/60/1290995060.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186597343 1290995069 /nfs/dbraw/zinc/99/50/69/1290995069.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596877 1290995144 /nfs/dbraw/zinc/99/51/44/1290995144.db2.gz CWKWLOXBBQHIRN-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166801938 1312844404 /nfs/dbraw/zinc/84/44/04/1312844404.db2.gz FQJPNUNAAVACKQ-IBGZPJMESA-N 2 1 345.531 2.683 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803804 1312844469 /nfs/dbraw/zinc/84/44/69/1312844469.db2.gz XKWBFAFEYHTKJG-GOSISDBHSA-N 2 1 333.520 2.846 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803322 1312844526 /nfs/dbraw/zinc/84/45/26/1312844526.db2.gz QXUBHCLOEUDGRA-IBGZPJMESA-N 2 1 345.531 2.683 20 30 EFEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082845 1312852916 /nfs/dbraw/zinc/85/29/16/1312852916.db2.gz KNFSDIAJOMFUJJ-UHFFFAOYSA-N 2 1 328.504 2.716 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561447 1291408792 /nfs/dbraw/zinc/40/87/92/1291408792.db2.gz GRONFMOCMODYBC-ZWKOTPCHSA-N 2 1 332.492 2.695 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561447 1291408795 /nfs/dbraw/zinc/40/87/95/1291408795.db2.gz GRONFMOCMODYBC-ZWKOTPCHSA-N 2 1 332.492 2.695 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166875341 1312858239 /nfs/dbraw/zinc/85/82/39/1312858239.db2.gz HGTXDYPYENBUCE-QGZVFWFLSA-N 2 1 344.503 2.596 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517134 1291697361 /nfs/dbraw/zinc/69/73/61/1291697361.db2.gz KESHFELGHLAIAR-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544928 1291738826 /nfs/dbraw/zinc/73/88/26/1291738826.db2.gz BSXKDDCSXMTUBH-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544947 1291739408 /nfs/dbraw/zinc/73/94/08/1291739408.db2.gz CDJLRORAVUZBNB-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550249 1291747897 /nfs/dbraw/zinc/74/78/97/1291747897.db2.gz PNWINBFRJZJWGK-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555869 1291759488 /nfs/dbraw/zinc/75/94/88/1291759488.db2.gz PXLFSTZJWGWGRQ-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561353 1291768573 /nfs/dbraw/zinc/76/85/73/1291768573.db2.gz MUBXVMQXVFOBAD-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568285 1291780370 /nfs/dbraw/zinc/78/03/70/1291780370.db2.gz GUHYSQOGLFBONE-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779463 1312881322 /nfs/dbraw/zinc/88/13/22/1312881322.db2.gz HXEMUGFDJYIVOT-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001277779902 1312882034 /nfs/dbraw/zinc/88/20/34/1312882034.db2.gz VUDDKLPQITZJNF-REPLKXPHSA-N 2 1 335.536 2.711 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779892 1312882196 /nfs/dbraw/zinc/88/21/96/1312882196.db2.gz VJHYZHNZUNFITJ-QUCCMNQESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016616191 1312883412 /nfs/dbraw/zinc/88/34/12/1312883412.db2.gz AHFSUCJCIDZMKK-JKSUJKDBSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593332 1291832605 /nfs/dbraw/zinc/83/26/05/1291832605.db2.gz SKPWIXPQASTBDC-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189731992 1291843122 /nfs/dbraw/zinc/84/31/22/1291843122.db2.gz BWWKBABZSKFAHT-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772165 1291852743 /nfs/dbraw/zinc/85/27/43/1291852743.db2.gz XKBMBDQPBNCRNS-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957602853 1291854669 /nfs/dbraw/zinc/85/46/69/1291854669.db2.gz ISVLQYYZWXGUBN-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603215 1291855225 /nfs/dbraw/zinc/85/52/25/1291855225.db2.gz OKXDVONYGIVSLR-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605499 1291859611 /nfs/dbraw/zinc/85/96/11/1291859611.db2.gz GEOCWATUIKCWLN-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605446 1291860091 /nfs/dbraw/zinc/86/00/91/1291860091.db2.gz CCRYAHPHTZZQEH-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957620909 1291900717 /nfs/dbraw/zinc/90/07/17/1291900717.db2.gz ONJSSONJZCKBET-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636000 1291934628 /nfs/dbraw/zinc/93/46/28/1291934628.db2.gz RUSNTGDNELRDBM-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957645011 1291954322 /nfs/dbraw/zinc/95/43/22/1291954322.db2.gz RLOXXNUNYBBIIM-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221809 1292049838 /nfs/dbraw/zinc/04/98/38/1292049838.db2.gz ONWWSALDZWQMFM-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221456 1292050518 /nfs/dbraw/zinc/05/05/18/1292050518.db2.gz AQVVFKYFYUYZMT-OALUTQOASA-N 2 1 335.536 2.831 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190203146 1292061363 /nfs/dbraw/zinc/06/13/63/1292061363.db2.gz GGFKBPZUSLZYME-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190203146 1292061370 /nfs/dbraw/zinc/06/13/70/1292061370.db2.gz GGFKBPZUSLZYME-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190443924 1292163947 /nfs/dbraw/zinc/16/39/47/1292163947.db2.gz LMCXDXRCWBWINZ-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016655104 1312907426 /nfs/dbraw/zinc/90/74/26/1312907426.db2.gz MTZFJHRVQDRWBV-OALUTQOASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049479901 1312909019 /nfs/dbraw/zinc/90/90/19/1312909019.db2.gz CNMXWQRLEXXNIH-ZSYWTGECSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479901 1312909021 /nfs/dbraw/zinc/90/90/21/1312909021.db2.gz CNMXWQRLEXXNIH-ZSYWTGECSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479901 1312909024 /nfs/dbraw/zinc/90/90/24/1312909024.db2.gz CNMXWQRLEXXNIH-ZSYWTGECSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663974 1312912168 /nfs/dbraw/zinc/91/21/68/1312912168.db2.gz WSCUJZWVWUEPHZ-MOPGFXCFSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663991 1312912222 /nfs/dbraw/zinc/91/22/22/1312912222.db2.gz WSCUJZWVWUEPHZ-RTBURBONSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468716 1312931581 /nfs/dbraw/zinc/93/15/81/1312931581.db2.gz MUYCFDKIFAKYEZ-IRXDYDNUSA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701921 1312934619 /nfs/dbraw/zinc/93/46/19/1312934619.db2.gz GLYAUBMWEHIZDM-QZTJIDSGSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544071 1292563696 /nfs/dbraw/zinc/56/36/96/1292563696.db2.gz XQUCXQYZDSOUQZ-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551634 1292575602 /nfs/dbraw/zinc/57/56/02/1292575602.db2.gz ONKLRKVHEGLSND-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551634 1292575613 /nfs/dbraw/zinc/57/56/13/1292575613.db2.gz ONKLRKVHEGLSND-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551634 1292575618 /nfs/dbraw/zinc/57/56/18/1292575618.db2.gz ONKLRKVHEGLSND-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551634 1292575628 /nfs/dbraw/zinc/57/56/28/1292575628.db2.gz ONKLRKVHEGLSND-KRWDZBQOSA-N 2 1 341.927 2.926 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491442 1312938031 /nfs/dbraw/zinc/93/80/31/1312938031.db2.gz GHYSJFYVPXMNCX-IRXDYDNUSA-N 2 1 330.476 2.565 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493289 1312938352 /nfs/dbraw/zinc/93/83/52/1312938352.db2.gz SGTKUGTZIWQAAQ-ROUUACIJSA-N 2 1 344.503 2.955 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049515938 1312952904 /nfs/dbraw/zinc/95/29/04/1312952904.db2.gz WWDUMLNSRPLUPT-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515938 1312952907 /nfs/dbraw/zinc/95/29/07/1312952907.db2.gz WWDUMLNSRPLUPT-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515938 1312952909 /nfs/dbraw/zinc/95/29/09/1312952909.db2.gz WWDUMLNSRPLUPT-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049515939 1312953211 /nfs/dbraw/zinc/95/32/11/1312953211.db2.gz WWDUMLNSRPLUPT-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515939 1312953215 /nfs/dbraw/zinc/95/32/15/1312953215.db2.gz WWDUMLNSRPLUPT-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515939 1312953218 /nfs/dbraw/zinc/95/32/18/1312953218.db2.gz WWDUMLNSRPLUPT-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114840823 1292824126 /nfs/dbraw/zinc/82/41/26/1292824126.db2.gz OJTHHILRYNTLAK-DZFIZOCASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114840823 1292824137 /nfs/dbraw/zinc/82/41/37/1292824137.db2.gz OJTHHILRYNTLAK-DZFIZOCASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114840823 1292824148 /nfs/dbraw/zinc/82/41/48/1292824148.db2.gz OJTHHILRYNTLAK-DZFIZOCASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192780108 1293036298 /nfs/dbraw/zinc/03/62/98/1293036298.db2.gz ZPLJDNKVKAYHOO-FUHWJXTLSA-N 2 1 332.492 2.867 20 30 EFEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867442 1293070346 /nfs/dbraw/zinc/07/03/46/1293070346.db2.gz QMRQFDIEBHQVKH-WMZOPIPTSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867442 1293070351 /nfs/dbraw/zinc/07/03/51/1293070351.db2.gz QMRQFDIEBHQVKH-WMZOPIPTSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026823 1293145261 /nfs/dbraw/zinc/14/52/61/1293145261.db2.gz MJCNCKZIVFLJBU-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C#C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000775571474 1293178647 /nfs/dbraw/zinc/17/86/47/1293178647.db2.gz HOMUIDGFFAMDBV-WOJBJXKFSA-N 2 1 330.447 2.603 20 30 EFEDMP C#C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000775571473 1293178946 /nfs/dbraw/zinc/17/89/46/1293178946.db2.gz HOMUIDGFFAMDBV-VQTJNVASSA-N 2 1 330.447 2.603 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793081 1312983315 /nfs/dbraw/zinc/98/33/15/1312983315.db2.gz FIHDKVHSAGWIBC-BZSNNMDCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408516 1293295254 /nfs/dbraw/zinc/29/52/54/1293295254.db2.gz LWNNUPWUKHPTDE-ICSRJNTNSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408893 1293295568 /nfs/dbraw/zinc/29/55/68/1293295568.db2.gz RWEDVTOAQUTDMR-FPOVZHCZSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544610 1312991561 /nfs/dbraw/zinc/99/15/61/1312991561.db2.gz DRJVDHYRPDQVGA-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193786056 1293429644 /nfs/dbraw/zinc/42/96/44/1293429644.db2.gz DFPYFFRAJWYBKF-SFHVURJKSA-N 2 1 332.492 2.632 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000883131929 1293473563 /nfs/dbraw/zinc/47/35/63/1293473563.db2.gz ZIQHPQCKBZYAGB-UHFFFAOYSA-N 2 1 336.439 2.878 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000883131929 1293473566 /nfs/dbraw/zinc/47/35/66/1293473566.db2.gz ZIQHPQCKBZYAGB-UHFFFAOYSA-N 2 1 336.439 2.878 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000883131482 1293473706 /nfs/dbraw/zinc/47/37/06/1293473706.db2.gz DLURBIJLMHQJHX-UHFFFAOYSA-N 2 1 333.867 2.710 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000883131482 1293473709 /nfs/dbraw/zinc/47/37/09/1293473709.db2.gz DLURBIJLMHQJHX-UHFFFAOYSA-N 2 1 333.867 2.710 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071626 1293515873 /nfs/dbraw/zinc/51/58/73/1293515873.db2.gz IGEMZAFVWJWCMJ-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071626 1293515876 /nfs/dbraw/zinc/51/58/76/1293515876.db2.gz IGEMZAFVWJWCMJ-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194226862 1293561024 /nfs/dbraw/zinc/56/10/24/1293561024.db2.gz HCACYXVUGGRJFO-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274429 1293562004 /nfs/dbraw/zinc/56/20/04/1293562004.db2.gz HPQVVLNIXVXSIU-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274429 1293562009 /nfs/dbraw/zinc/56/20/09/1293562009.db2.gz HPQVVLNIXVXSIU-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C\CCC)C2)CC1 ZINC001194246547 1293569484 /nfs/dbraw/zinc/56/94/84/1293569484.db2.gz OMBCGWZOEQYMTA-WHXUGTBJSA-N 2 1 345.531 2.611 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860067 1313014287 /nfs/dbraw/zinc/01/42/87/1313014287.db2.gz OMQIYLFHEMMLGN-INIZCTEOSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001194449122 1293627283 /nfs/dbraw/zinc/62/72/83/1293627283.db2.gz PLNPPMHLMZFSTC-GOSISDBHSA-N 2 1 332.492 2.942 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565666 1313025570 /nfs/dbraw/zinc/02/55/70/1313025570.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565666 1313025571 /nfs/dbraw/zinc/02/55/71/1313025571.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565666 1313025576 /nfs/dbraw/zinc/02/55/76/1313025576.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565664 1313025716 /nfs/dbraw/zinc/02/57/16/1313025716.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565664 1313025719 /nfs/dbraw/zinc/02/57/19/1313025719.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565664 1313025724 /nfs/dbraw/zinc/02/57/24/1313025724.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568777 1313030497 /nfs/dbraw/zinc/03/04/97/1313030497.db2.gz WKFKKJMFFYSJNM-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569545 1313031317 /nfs/dbraw/zinc/03/13/17/1313031317.db2.gz ZDSLRQVFZXDQJF-ROUUACIJSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571773 1313034090 /nfs/dbraw/zinc/03/40/90/1313034090.db2.gz GXTBSOCALDYMHB-OALUTQOASA-N 2 1 338.455 2.979 20 30 EFEDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203902425 1313044443 /nfs/dbraw/zinc/04/44/43/1313044443.db2.gz FILBAPSKJKXSJI-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203902425 1313044447 /nfs/dbraw/zinc/04/44/47/1313044447.db2.gz FILBAPSKJKXSJI-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203902425 1313044451 /nfs/dbraw/zinc/04/44/51/1313044451.db2.gz FILBAPSKJKXSJI-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203902425 1313044456 /nfs/dbraw/zinc/04/44/56/1313044456.db2.gz FILBAPSKJKXSJI-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001276437027 1313070668 /nfs/dbraw/zinc/07/06/68/1313070668.db2.gz YKQGXSXZHLHTHF-UHFFFAOYSA-N 2 1 346.906 2.671 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)cc1 ZINC000303701833 1294563917 /nfs/dbraw/zinc/56/39/17/1294563917.db2.gz ILLHUHJFNHAGFN-SFHVURJKSA-N 2 1 332.492 2.783 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303785432 1294581056 /nfs/dbraw/zinc/58/10/56/1294581056.db2.gz QITRLYMVQWETFB-QGZVFWFLSA-N 2 1 330.476 2.633 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785415 1294581295 /nfs/dbraw/zinc/58/12/95/1294581295.db2.gz QHODZOMODZRLSU-AWEZNQCLSA-N 2 1 340.924 2.821 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790410 1294581367 /nfs/dbraw/zinc/58/13/67/1294581367.db2.gz WGJCCOSPORSXGT-INIZCTEOSA-N 2 1 343.500 2.699 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785416 1294582190 /nfs/dbraw/zinc/58/21/90/1294582190.db2.gz QHODZOMODZRLSU-CQSZACIVSA-N 2 1 340.924 2.821 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCC2)c1 ZINC000303791337 1294583542 /nfs/dbraw/zinc/58/35/42/1294583542.db2.gz XJEKEEOXEUUPIY-SFHVURJKSA-N 2 1 330.476 2.633 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000303890184 1294597708 /nfs/dbraw/zinc/59/77/08/1294597708.db2.gz MIVZPJHVTWXSJK-KRWDZBQOSA-N 2 1 330.476 2.703 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303881940 1294598153 /nfs/dbraw/zinc/59/81/53/1294598153.db2.gz HYBQWMZISHJDAB-KGLIPLIRSA-N 2 1 334.464 2.551 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303881947 1294598221 /nfs/dbraw/zinc/59/82/21/1294598221.db2.gz HYBQWMZISHJDAB-ZIAGYGMSSA-N 2 1 334.464 2.551 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000303907950 1294601539 /nfs/dbraw/zinc/60/15/39/1294601539.db2.gz XGJDSBPCIAMAHQ-ZIAGYGMSSA-N 2 1 334.464 2.693 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303973800 1294613947 /nfs/dbraw/zinc/61/39/47/1294613947.db2.gz HGJWEXAHXRUBCZ-QGZVFWFLSA-N 2 1 345.535 2.954 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000303973800 1294613956 /nfs/dbraw/zinc/61/39/56/1294613956.db2.gz HGJWEXAHXRUBCZ-QGZVFWFLSA-N 2 1 345.535 2.954 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000303973800 1294613968 /nfs/dbraw/zinc/61/39/68/1294613968.db2.gz HGJWEXAHXRUBCZ-QGZVFWFLSA-N 2 1 345.535 2.954 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001197818151 1294748852 /nfs/dbraw/zinc/74/88/52/1294748852.db2.gz XLLGTFHFHYVVEZ-UHFFFAOYSA-N 2 1 332.492 2.968 20 30 EFEDMP C=CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001204300703 1313119257 /nfs/dbraw/zinc/11/92/57/1313119257.db2.gz REZGIFZWPINDDY-UHFFFAOYSA-N 2 1 329.444 2.881 20 30 EFEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617640 1295139027 /nfs/dbraw/zinc/13/90/27/1295139027.db2.gz PRLMEBJQTUSACJ-MSOLQXFVSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1OC ZINC001198759976 1295237913 /nfs/dbraw/zinc/23/79/13/1295237913.db2.gz OFJILMOQRPPJTH-SFHVURJKSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676051 1313169878 /nfs/dbraw/zinc/16/98/78/1313169878.db2.gz KNLABDUNOUJIRY-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676051 1313169885 /nfs/dbraw/zinc/16/98/85/1313169885.db2.gz KNLABDUNOUJIRY-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NCC3CCC3)CC2)cs1 ZINC000304745917 1295748181 /nfs/dbraw/zinc/74/81/81/1295748181.db2.gz FJJPIJPOSKAALY-UHFFFAOYSA-N 2 1 349.548 2.622 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000304746193 1295748982 /nfs/dbraw/zinc/74/89/82/1295748982.db2.gz FRZIFHASLWYFSP-AWEZNQCLSA-N 2 1 334.464 2.552 20 30 EFEDMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1C ZINC000304757002 1295750417 /nfs/dbraw/zinc/75/04/17/1295750417.db2.gz OIYOUFHNOMBZFV-DLBZAZTESA-N 2 1 332.492 2.541 20 30 EFEDMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1C ZINC000304757008 1295751540 /nfs/dbraw/zinc/75/15/40/1295751540.db2.gz OIYOUFHNOMBZFV-SJORKVTESA-N 2 1 332.492 2.541 20 30 EFEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCCCC2 ZINC000304805967 1295760958 /nfs/dbraw/zinc/76/09/58/1295760958.db2.gz RSTXQOBAWYGTNO-BRWVUGGUSA-N 2 1 336.524 2.503 20 30 EFEDMP COCCC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274939868 1296216213 /nfs/dbraw/zinc/21/62/13/1296216213.db2.gz RYUPJZVZJWOSRN-UHFFFAOYSA-N 2 1 344.503 2.611 20 30 EFEDMP CCCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275132071 1296234846 /nfs/dbraw/zinc/23/48/46/1296234846.db2.gz NKIKFSIBAUONKM-ROUUACIJSA-N 2 1 335.536 2.879 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447038 1296282227 /nfs/dbraw/zinc/28/22/27/1296282227.db2.gz GJUZOMIEAKPMQF-NRFANRHFSA-N 2 1 348.450 2.561 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447038 1296282233 /nfs/dbraw/zinc/28/22/33/1296282233.db2.gz GJUZOMIEAKPMQF-NRFANRHFSA-N 2 1 348.450 2.561 20 30 EFEDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205229239 1313255127 /nfs/dbraw/zinc/25/51/27/1313255127.db2.gz MTGGCXYVBWVDBF-FQEVSTJZSA-N 2 1 340.492 2.824 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205291522 1313265510 /nfs/dbraw/zinc/26/55/10/1313265510.db2.gz WZRPSUSQXADSMV-SFHVURJKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761637 1313271374 /nfs/dbraw/zinc/27/13/74/1313271374.db2.gz KXEYEHGGSXANER-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761637 1313271377 /nfs/dbraw/zinc/27/13/77/1313271377.db2.gz KXEYEHGGSXANER-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000960301597 1296718874 /nfs/dbraw/zinc/71/88/74/1296718874.db2.gz XUJYDEXRFBMAON-DFQSSKMNSA-N 2 1 341.499 2.666 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000960301599 1296719554 /nfs/dbraw/zinc/71/95/54/1296719554.db2.gz XUJYDEXRFBMAON-MISYRCLQSA-N 2 1 341.499 2.666 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C/CCC)CC1 ZINC001205479734 1313297124 /nfs/dbraw/zinc/29/71/24/1313297124.db2.gz VNGVQRLIQJKTPK-YJJPMGAVSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C/CCC)CC1 ZINC001205479734 1313297127 /nfs/dbraw/zinc/29/71/27/1313297127.db2.gz VNGVQRLIQJKTPK-YJJPMGAVSA-N 2 1 345.531 2.659 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC#N)cc1 ZINC000776159073 1296759415 /nfs/dbraw/zinc/75/94/15/1296759415.db2.gz VQQYKHZZLNNHLI-OXQOHEQNSA-N 2 1 343.471 2.883 20 30 EFEDMP C=CCCCCC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201385378 1296774800 /nfs/dbraw/zinc/77/48/00/1296774800.db2.gz AQJFMOCUBCPPMT-UHFFFAOYSA-N 2 1 348.491 2.677 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518885 1313304116 /nfs/dbraw/zinc/30/41/16/1313304116.db2.gz NYSNSOKUARSJME-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518883 1313304125 /nfs/dbraw/zinc/30/41/25/1313304125.db2.gz NYSNSOKUARSJME-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205571599 1313314699 /nfs/dbraw/zinc/31/46/99/1313314699.db2.gz VUXPDIOLHCYEFB-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429084 1313319318 /nfs/dbraw/zinc/31/93/18/1313319318.db2.gz WVWRSAHKUBBXLB-MOPGFXCFSA-N 2 1 342.483 2.919 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429086 1313319424 /nfs/dbraw/zinc/31/94/24/1313319424.db2.gz WVWRSAHKUBBXLB-RBUKOAKNSA-N 2 1 342.483 2.919 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594233 1313319999 /nfs/dbraw/zinc/31/99/99/1313319999.db2.gz MQAFVBPJQKFPRY-KRWDZBQOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205585958 1313317952 /nfs/dbraw/zinc/31/79/52/1313317952.db2.gz KNMANNUOVYZLKL-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333068 /nfs/dbraw/zinc/33/30/68/1313333068.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 2 1 328.460 2.625 20 30 EFEDMP N#CCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333072 /nfs/dbraw/zinc/33/30/72/1313333072.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 2 1 328.460 2.625 20 30 EFEDMP N#CCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333076 /nfs/dbraw/zinc/33/30/76/1313333076.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 2 1 328.460 2.625 20 30 EFEDMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](CCCCC#N)CC3)n(C)n1 ZINC001277951174 1313343376 /nfs/dbraw/zinc/34/33/76/1313343376.db2.gz GBBCKCLLSIBEOW-UHFFFAOYSA-N 2 1 329.492 2.710 20 30 EFEDMP N#CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277951466 1313344520 /nfs/dbraw/zinc/34/45/20/1313344520.db2.gz KAMKHDNAANKGAD-LJQANCHMSA-N 2 1 329.492 2.755 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835216 1313364442 /nfs/dbraw/zinc/36/44/42/1313364442.db2.gz GZYAILORYIFBPE-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835216 1313364445 /nfs/dbraw/zinc/36/44/45/1313364445.db2.gz GZYAILORYIFBPE-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835216 1313364449 /nfs/dbraw/zinc/36/44/49/1313364449.db2.gz GZYAILORYIFBPE-VAMGGRTRSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049836037 1313366874 /nfs/dbraw/zinc/36/68/74/1313366874.db2.gz NENOHJOGKREHBZ-SBHAEUEKSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049836037 1313366878 /nfs/dbraw/zinc/36/68/78/1313366878.db2.gz NENOHJOGKREHBZ-SBHAEUEKSA-N 2 1 341.499 2.715 20 30 EFEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022852 1313392676 /nfs/dbraw/zinc/39/26/76/1313392676.db2.gz KQNJQJZXVBROPA-HXUWFJFHSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCOc1cccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235822730 1313405081 /nfs/dbraw/zinc/40/50/81/1313405081.db2.gz RCOBHDLAMIMRQD-UHFFFAOYSA-N 2 1 329.488 2.511 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640163 1297607981 /nfs/dbraw/zinc/60/79/81/1297607981.db2.gz BAZAHDMORLXMTH-AWEZNQCLSA-N 2 1 334.895 2.760 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017549755 1313408884 /nfs/dbraw/zinc/40/88/84/1313408884.db2.gz LRKOCHYKAGHMBC-MKXGPGLRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549755 1313408887 /nfs/dbraw/zinc/40/88/87/1313408887.db2.gz LRKOCHYKAGHMBC-MKXGPGLRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549755 1313408891 /nfs/dbraw/zinc/40/88/91/1313408891.db2.gz LRKOCHYKAGHMBC-MKXGPGLRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282561 1313431229 /nfs/dbraw/zinc/43/12/29/1313431229.db2.gz VJCCYPBRQYGCCL-IEBWSBKVSA-N 2 1 335.536 2.759 20 30 EFEDMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073410 1313437916 /nfs/dbraw/zinc/43/79/16/1313437916.db2.gz MTSZLLGAMCHEBK-HSZRJFAPSA-N 2 1 345.490 2.694 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206477276 1313461061 /nfs/dbraw/zinc/46/10/61/1313461061.db2.gz ZIDRAAVBEIMHQU-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP CCCCCCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236398351 1313476376 /nfs/dbraw/zinc/47/63/76/1313476376.db2.gz FXAFDEWMLCJROF-UHFFFAOYSA-N 2 1 325.541 2.591 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914091 1313477230 /nfs/dbraw/zinc/47/72/30/1313477230.db2.gz MGHCVGOXRRVIBJ-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914091 1313477231 /nfs/dbraw/zinc/47/72/31/1313477231.db2.gz MGHCVGOXRRVIBJ-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602820 1313482076 /nfs/dbraw/zinc/48/20/76/1313482076.db2.gz JZBFSRQWJVXMPW-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189205 1298274991 /nfs/dbraw/zinc/27/49/91/1298274991.db2.gz YKLNGVGRVNAGRF-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921517 1313487034 /nfs/dbraw/zinc/48/70/34/1313487034.db2.gz WSTHMRXXTZWZLI-IRXDYDNUSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921517 1313487037 /nfs/dbraw/zinc/48/70/37/1313487037.db2.gz WSTHMRXXTZWZLI-IRXDYDNUSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199438 1298304426 /nfs/dbraw/zinc/30/44/26/1298304426.db2.gz KJTIRDQKMQSPHZ-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926413 1313495908 /nfs/dbraw/zinc/49/59/08/1313495908.db2.gz OVXDKVVVIMPRJF-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926411 1313496092 /nfs/dbraw/zinc/49/60/92/1313496092.db2.gz OVXDKVVVIMPRJF-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372353 /nfs/dbraw/zinc/37/23/53/1298372353.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372363 /nfs/dbraw/zinc/37/23/63/1298372363.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372369 /nfs/dbraw/zinc/37/23/69/1298372369.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252444 1298423139 /nfs/dbraw/zinc/42/31/39/1298423139.db2.gz OEBCNLSFENMROB-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276841 1298474392 /nfs/dbraw/zinc/47/43/92/1298474392.db2.gz WPOAAIQHSMJXLN-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292544 1298509910 /nfs/dbraw/zinc/50/99/10/1298509910.db2.gz JREYCVPJCRQVRN-WOJBJXKFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767136 1313518478 /nfs/dbraw/zinc/51/84/78/1313518478.db2.gz IEUQASGQWXAVEA-KDURUIRLSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961372907 1298635475 /nfs/dbraw/zinc/63/54/75/1298635475.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961372907 1298635484 /nfs/dbraw/zinc/63/54/84/1298635484.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961372907 1298635495 /nfs/dbraw/zinc/63/54/95/1298635495.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961374333 1298641785 /nfs/dbraw/zinc/64/17/85/1298641785.db2.gz LBQYYVMIHLFETA-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374333 1298641790 /nfs/dbraw/zinc/64/17/90/1298641790.db2.gz LBQYYVMIHLFETA-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374333 1298641798 /nfs/dbraw/zinc/64/17/98/1298641798.db2.gz LBQYYVMIHLFETA-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376762 1298647528 /nfs/dbraw/zinc/64/75/28/1298647528.db2.gz CPHUTOHHBVVGGB-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376762 1298647540 /nfs/dbraw/zinc/64/75/40/1298647540.db2.gz CPHUTOHHBVVGGB-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376762 1298647553 /nfs/dbraw/zinc/64/75/53/1298647553.db2.gz CPHUTOHHBVVGGB-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383910 1298658231 /nfs/dbraw/zinc/65/82/31/1298658231.db2.gz MFRZHJZDXUBAGH-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383910 1298658241 /nfs/dbraw/zinc/65/82/41/1298658241.db2.gz MFRZHJZDXUBAGH-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC000961390230 1298674796 /nfs/dbraw/zinc/67/47/96/1298674796.db2.gz AMAYHMUOVCNGTK-LJQANCHMSA-N 2 1 344.503 2.800 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961401305 1298692003 /nfs/dbraw/zinc/69/20/03/1298692003.db2.gz DGNCXROFHYYTBI-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961401305 1298692008 /nfs/dbraw/zinc/69/20/08/1298692008.db2.gz DGNCXROFHYYTBI-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961401305 1298692021 /nfs/dbraw/zinc/69/20/21/1298692021.db2.gz DGNCXROFHYYTBI-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961402978 1298695671 /nfs/dbraw/zinc/69/56/71/1298695671.db2.gz STGQXICLOKJEDI-RBUKOAKNSA-N 2 1 335.536 2.709 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410267 1298704641 /nfs/dbraw/zinc/70/46/41/1298704641.db2.gz GETUKGRGCDMLRT-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410267 1298704648 /nfs/dbraw/zinc/70/46/48/1298704648.db2.gz GETUKGRGCDMLRT-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410267 1298704658 /nfs/dbraw/zinc/70/46/58/1298704658.db2.gz GETUKGRGCDMLRT-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410831 1298706220 /nfs/dbraw/zinc/70/62/20/1298706220.db2.gz JSUUZIVIBWVNPX-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439239 1298748599 /nfs/dbraw/zinc/74/85/99/1298748599.db2.gz GLPASNVTSGNJMW-LJQANCHMSA-N 2 1 333.520 2.609 20 30 EFEDMP CN1CCN(c2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2F)CC1 ZINC001236973574 1313563924 /nfs/dbraw/zinc/56/39/24/1313563924.db2.gz MBJKJDJMSDLDEF-NNZMDNLPSA-N 2 1 342.462 2.844 20 30 EFEDMP C[NH+]1CCN(c2cc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2F)CC1 ZINC001236973574 1313563926 /nfs/dbraw/zinc/56/39/26/1313563926.db2.gz MBJKJDJMSDLDEF-NNZMDNLPSA-N 2 1 342.462 2.844 20 30 EFEDMP CCc1cc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278037039 1313566911 /nfs/dbraw/zinc/56/69/11/1313566911.db2.gz JTONZNGXXLYFPY-UHFFFAOYSA-N 2 1 340.515 2.580 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953544 1313570218 /nfs/dbraw/zinc/57/02/18/1313570218.db2.gz RDWAEGVNFCETTQ-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980217 1313579953 /nfs/dbraw/zinc/57/99/53/1313579953.db2.gz LLGJOBZNYKKTPO-BHIYHBOVSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961939276 1299256327 /nfs/dbraw/zinc/25/63/27/1299256327.db2.gz BYMXZIRKHIBFJM-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961939276 1299256339 /nfs/dbraw/zinc/25/63/39/1299256339.db2.gz BYMXZIRKHIBFJM-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017950319 1313609895 /nfs/dbraw/zinc/60/98/95/1313609895.db2.gz RJKNAJDRHFLFBN-BGYRXZFFSA-N 2 1 341.499 2.656 20 30 EFEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC001207199864 1313635684 /nfs/dbraw/zinc/63/56/84/1313635684.db2.gz TZSAFDPLKUAWPM-UHFFFAOYSA-N 2 1 346.475 2.627 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207276465 1313649693 /nfs/dbraw/zinc/64/96/93/1313649693.db2.gz XEVGKKGTCUDMRP-IBGZPJMESA-N 2 1 337.508 2.685 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962969909 1300241611 /nfs/dbraw/zinc/24/16/11/1300241611.db2.gz FZQFBSJPWBQFJT-DZFIZOCASA-N 2 1 345.487 2.748 20 30 EFEDMP C=CCOCc1ncn2c1C[N@@H+](CCC1CC[NH+](C)CC1)CCC2 ZINC001207481763 1313696707 /nfs/dbraw/zinc/69/67/07/1313696707.db2.gz OHUWDINBRRNLMD-UHFFFAOYSA-N 2 1 332.492 2.523 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314264 1300576481 /nfs/dbraw/zinc/57/64/81/1300576481.db2.gz KGHMRRFEPKNNSM-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329497 1300616601 /nfs/dbraw/zinc/61/66/01/1300616601.db2.gz ZMUARLDFDQSAOS-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000963337629 1300634909 /nfs/dbraw/zinc/63/49/09/1300634909.db2.gz CVRABZKGYMHKFP-SJJHQCBESA-N 2 1 341.927 2.828 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358195 1300680009 /nfs/dbraw/zinc/68/00/09/1300680009.db2.gz PCWNOXWQOREOTR-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358195 1300680016 /nfs/dbraw/zinc/68/00/16/1300680016.db2.gz PCWNOXWQOREOTR-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358195 1300680021 /nfs/dbraw/zinc/68/00/21/1300680021.db2.gz PCWNOXWQOREOTR-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358273 1300680491 /nfs/dbraw/zinc/68/04/91/1300680491.db2.gz QCBHWUQWEMQUOM-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358273 1300680498 /nfs/dbraw/zinc/68/04/98/1300680498.db2.gz QCBHWUQWEMQUOM-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358273 1300680503 /nfs/dbraw/zinc/68/05/03/1300680503.db2.gz QCBHWUQWEMQUOM-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358202 1300680923 /nfs/dbraw/zinc/68/09/23/1300680923.db2.gz PJMJBNAILBKPTD-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363869 1300693221 /nfs/dbraw/zinc/69/32/21/1300693221.db2.gz AETZGFZMDRHNFS-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389810 1300751389 /nfs/dbraw/zinc/75/13/89/1300751389.db2.gz GUNOABFWFDVJNO-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390199 1300753245 /nfs/dbraw/zinc/75/32/45/1300753245.db2.gz KCCSEXQJQLZNNQ-FUHWJXTLSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390199 1300753248 /nfs/dbraw/zinc/75/32/48/1300753248.db2.gz KCCSEXQJQLZNNQ-FUHWJXTLSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000963421295 1300818133 /nfs/dbraw/zinc/81/81/33/1300818133.db2.gz PTUUWLHQGLPOCF-LMDPOFIKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000963421297 1300818325 /nfs/dbraw/zinc/81/83/25/1300818325.db2.gz PTUUWLHQGLPOCF-VIQWUECVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000963563306 1301062612 /nfs/dbraw/zinc/06/26/12/1301062612.db2.gz INRPJGSUGQKHAU-GPANFISMSA-N 2 1 327.900 2.582 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652624 1313741461 /nfs/dbraw/zinc/74/14/61/1313741461.db2.gz CDFMWPPKONTCDI-KURKYZTESA-N 2 1 325.541 2.980 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963946651 1301505227 /nfs/dbraw/zinc/50/52/27/1301505227.db2.gz ISCLMOLWUJJHRR-LZZBAHKZSA-N 2 1 348.878 2.530 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001207790423 1313775627 /nfs/dbraw/zinc/77/56/27/1313775627.db2.gz STDQSAVCRHGCBH-CRAIPNDOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030222 1301625438 /nfs/dbraw/zinc/62/54/38/1301625438.db2.gz HWFSJPZZQKXQCO-SWPKYLGISA-N 2 1 331.504 2.596 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000964030219 1301625489 /nfs/dbraw/zinc/62/54/89/1301625489.db2.gz HWFSJPZZQKXQCO-BMTWLGCMSA-N 2 1 331.504 2.596 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CCCCF)C[C@H]3CC2)cc1C#N ZINC001278205996 1313787369 /nfs/dbraw/zinc/78/73/69/1313787369.db2.gz VDRRMWDHXCZQQX-HDICACEKSA-N 2 1 332.467 2.790 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858858 1313790095 /nfs/dbraw/zinc/79/00/95/1313790095.db2.gz AOBCFUHTAGYYTE-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018309972 1313805503 /nfs/dbraw/zinc/80/55/03/1313805503.db2.gz CLMLEHFNEKDCJH-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018303805 1313802498 /nfs/dbraw/zinc/80/24/98/1313802498.db2.gz BNKJHEKWZFKROM-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000119999770 1302883452 /nfs/dbraw/zinc/88/34/52/1302883452.db2.gz ZJBVENWTXUHRHH-QGZVFWFLSA-N 2 1 331.460 2.809 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619334 1303041637 /nfs/dbraw/zinc/04/16/37/1303041637.db2.gz UQMLODMHKTYRIW-PIIMJCKOSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[N@@H+](C)CCC[NH3+])c1 ZINC001239231800 1313917671 /nfs/dbraw/zinc/91/76/71/1313917671.db2.gz RTGMCAHBSCEFJN-UHFFFAOYSA-N 2 1 346.519 2.925 20 30 EFEDMP CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239238308 1313918813 /nfs/dbraw/zinc/91/88/13/1313918813.db2.gz FLFUACDPEVVDGT-DLBZAZTESA-N 2 1 338.540 2.861 20 30 EFEDMP CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239238308 1313918818 /nfs/dbraw/zinc/91/88/18/1313918818.db2.gz FLFUACDPEVVDGT-DLBZAZTESA-N 2 1 338.540 2.861 20 30 EFEDMP CCCCCCCCOC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239338954 1313926995 /nfs/dbraw/zinc/92/69/95/1313926995.db2.gz HAGVVQRVIDKNJK-QGZVFWFLSA-N 2 1 325.497 2.981 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1CC ZINC001037879203 1304100315 /nfs/dbraw/zinc/10/03/15/1304100315.db2.gz HJKPNQBLPXHVIB-IAGOWNOFSA-N 2 1 344.503 2.555 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114422789 1304305492 /nfs/dbraw/zinc/30/54/92/1304305492.db2.gz IIJHPYQULAWTCL-XSYGEPLQSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114422789 1304305497 /nfs/dbraw/zinc/30/54/97/1304305497.db2.gz IIJHPYQULAWTCL-XSYGEPLQSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114422789 1304305501 /nfs/dbraw/zinc/30/55/01/1304305501.db2.gz IIJHPYQULAWTCL-XSYGEPLQSA-N 2 1 335.536 2.878 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114425175 1304345542 /nfs/dbraw/zinc/34/55/42/1304345542.db2.gz AOXBHKJFUFUVMX-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425175 1304345545 /nfs/dbraw/zinc/34/55/45/1304345545.db2.gz AOXBHKJFUFUVMX-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425175 1304345548 /nfs/dbraw/zinc/34/55/48/1304345548.db2.gz AOXBHKJFUFUVMX-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208619584 1313982695 /nfs/dbraw/zinc/98/26/95/1313982695.db2.gz GQDLXJYVQVMUNV-GPMSIDNRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208619584 1313982698 /nfs/dbraw/zinc/98/26/98/1313982698.db2.gz GQDLXJYVQVMUNV-GPMSIDNRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208619584 1313982701 /nfs/dbraw/zinc/98/27/01/1313982701.db2.gz GQDLXJYVQVMUNV-GPMSIDNRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208619589 1313983288 /nfs/dbraw/zinc/98/32/88/1313983288.db2.gz GQDLXJYVQVMUNV-MDZRGWNJSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208619589 1313983290 /nfs/dbraw/zinc/98/32/90/1313983290.db2.gz GQDLXJYVQVMUNV-MDZRGWNJSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208619589 1313983292 /nfs/dbraw/zinc/98/32/92/1313983292.db2.gz GQDLXJYVQVMUNV-MDZRGWNJSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208722189 1314002621 /nfs/dbraw/zinc/00/26/21/1314002621.db2.gz PZUKSFAGTDMJDX-BRSBDYLESA-N 2 1 344.503 2.707 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374949 1314487067 /nfs/dbraw/zinc/48/70/67/1314487067.db2.gz UJRAGYQPEFXQNU-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925690 1314047679 /nfs/dbraw/zinc/04/76/79/1314047679.db2.gz NAIBRJSHBKCCHD-NRFANRHFSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925690 1314047681 /nfs/dbraw/zinc/04/76/81/1314047681.db2.gz NAIBRJSHBKCCHD-NRFANRHFSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925690 1314047683 /nfs/dbraw/zinc/04/76/83/1314047683.db2.gz NAIBRJSHBKCCHD-NRFANRHFSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925690 1314047684 /nfs/dbraw/zinc/04/76/84/1314047684.db2.gz NAIBRJSHBKCCHD-NRFANRHFSA-N 2 1 341.499 2.924 20 30 EFEDMP Cn1cc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1C#N ZINC001276608386 1314071209 /nfs/dbraw/zinc/07/12/09/1314071209.db2.gz NQXDMQPJBZGTGU-UHFFFAOYSA-N 2 1 334.467 2.876 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326774 1306135928 /nfs/dbraw/zinc/13/59/28/1306135928.db2.gz IUHWRRVCTUMYQH-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326777 1306136591 /nfs/dbraw/zinc/13/65/91/1306136591.db2.gz IUHWRRVCTUMYQH-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327805 1306137317 /nfs/dbraw/zinc/13/73/17/1306137317.db2.gz SJMIWHVUKPYYTG-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419533 1306289357 /nfs/dbraw/zinc/28/93/57/1306289357.db2.gz USGQTWFCRBUGML-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496928 1306400538 /nfs/dbraw/zinc/40/05/38/1306400538.db2.gz FJODTGNLDYDFOU-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001044359828 1306455221 /nfs/dbraw/zinc/45/52/21/1306455221.db2.gz RRBXATFSIZPPGF-UHFFFAOYSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579917 1314131856 /nfs/dbraw/zinc/13/18/56/1314131856.db2.gz KPWACPMUAIRLIS-AKHDSKFASA-N 2 1 331.504 2.549 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581084 1314132600 /nfs/dbraw/zinc/13/26/00/1314132600.db2.gz ONDMMDDVWXAIBL-RLLQIKCJSA-N 2 1 341.499 2.702 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C)CC1 ZINC000968683222 1306564975 /nfs/dbraw/zinc/56/49/75/1306564975.db2.gz ZVMWQJSLRWPNBL-PKOBYXMFSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860054 1306730970 /nfs/dbraw/zinc/73/09/70/1306730970.db2.gz XIQTVVMCMGRPHG-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859851 1306731116 /nfs/dbraw/zinc/73/11/16/1306731116.db2.gz SAYYTTDERZYHIE-QGZVFWFLSA-N 2 1 326.444 2.803 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860053 1306731242 /nfs/dbraw/zinc/73/12/42/1306731242.db2.gz XIQTVVMCMGRPHG-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001209351278 1314145316 /nfs/dbraw/zinc/14/53/16/1314145316.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 1 334.508 2.995 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209351278 1314145320 /nfs/dbraw/zinc/14/53/20/1314145320.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 1 334.508 2.995 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209351278 1314145324 /nfs/dbraw/zinc/14/53/24/1314145324.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 1 334.508 2.995 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968887535 1306760916 /nfs/dbraw/zinc/76/09/16/1306760916.db2.gz HFRPOQLPCUKHOY-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887535 1306760919 /nfs/dbraw/zinc/76/09/19/1306760919.db2.gz HFRPOQLPCUKHOY-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887535 1306760923 /nfs/dbraw/zinc/76/09/23/1306760923.db2.gz HFRPOQLPCUKHOY-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887861 1306761141 /nfs/dbraw/zinc/76/11/41/1306761141.db2.gz NZPRWNGKMXDYBL-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888744 1306763564 /nfs/dbraw/zinc/76/35/64/1306763564.db2.gz ZACCGSLFZFAIBH-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888744 1306763568 /nfs/dbraw/zinc/76/35/68/1306763568.db2.gz ZACCGSLFZFAIBH-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888744 1306763574 /nfs/dbraw/zinc/76/35/74/1306763574.db2.gz ZACCGSLFZFAIBH-OALUTQOASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965124 1306842521 /nfs/dbraw/zinc/84/25/21/1306842521.db2.gz GSLGWXJIUBGJHR-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001676 1306875884 /nfs/dbraw/zinc/87/58/84/1306875884.db2.gz FAUGYBMQTVAFDH-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001676 1306875888 /nfs/dbraw/zinc/87/58/88/1306875888.db2.gz FAUGYBMQTVAFDH-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1CN(C)C ZINC000969005382 1306880339 /nfs/dbraw/zinc/88/03/39/1306880339.db2.gz ROZFCLUWMSUKHD-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005382 1306880344 /nfs/dbraw/zinc/88/03/44/1306880344.db2.gz ROZFCLUWMSUKHD-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005382 1306880346 /nfs/dbraw/zinc/88/03/46/1306880346.db2.gz ROZFCLUWMSUKHD-KRWDZBQOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022259 1306898392 /nfs/dbraw/zinc/89/83/92/1306898392.db2.gz ALPHLTZVINWKIA-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022259 1306898398 /nfs/dbraw/zinc/89/83/98/1306898398.db2.gz ALPHLTZVINWKIA-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022299 1306899989 /nfs/dbraw/zinc/89/99/89/1306899989.db2.gz BKHQEXOCWJPBCT-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022299 1306899994 /nfs/dbraw/zinc/89/99/94/1306899994.db2.gz BKHQEXOCWJPBCT-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072545 1306945929 /nfs/dbraw/zinc/94/59/29/1306945929.db2.gz KWVXHQZLKAIROB-HXUWFJFHSA-N 2 1 341.499 2.746 20 30 EFEDMP C=CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001209437192 1314163559 /nfs/dbraw/zinc/16/35/59/1314163559.db2.gz IASQZVLAYCGPMN-QYZOEREBSA-N 2 1 331.508 2.809 20 30 EFEDMP C=CCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209437192 1314163562 /nfs/dbraw/zinc/16/35/62/1314163562.db2.gz IASQZVLAYCGPMN-QYZOEREBSA-N 2 1 331.508 2.809 20 30 EFEDMP C=CCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209437192 1314163565 /nfs/dbraw/zinc/16/35/65/1314163565.db2.gz IASQZVLAYCGPMN-QYZOEREBSA-N 2 1 331.508 2.809 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209448347 1314164310 /nfs/dbraw/zinc/16/43/10/1314164310.db2.gz PCIAQEFXQQFGCA-HXUWFJFHSA-N 2 1 349.519 2.973 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478319 1314171138 /nfs/dbraw/zinc/17/11/38/1314171138.db2.gz TWOBOMJGGZTGEN-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441987 1307341628 /nfs/dbraw/zinc/34/16/28/1307341628.db2.gz OUPZKOFDNTYYAL-GOSISDBHSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045536727 1307411328 /nfs/dbraw/zinc/41/13/28/1307411328.db2.gz CONCHQWOVQWXKB-QGZVFWFLSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045556622 1307427333 /nfs/dbraw/zinc/42/73/33/1307427333.db2.gz HTQZCEXITQORFF-QGZVFWFLSA-N 2 1 344.503 2.691 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045936166 1307935098 /nfs/dbraw/zinc/93/50/98/1307935098.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045936166 1307935103 /nfs/dbraw/zinc/93/51/03/1307935103.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045936166 1307935106 /nfs/dbraw/zinc/93/51/06/1307935106.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045942448 1307954041 /nfs/dbraw/zinc/95/40/41/1307954041.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942448 1307954043 /nfs/dbraw/zinc/95/40/43/1307954043.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942448 1307954050 /nfs/dbraw/zinc/95/40/50/1307954050.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045942466 1307954291 /nfs/dbraw/zinc/95/42/91/1307954291.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942466 1307954297 /nfs/dbraw/zinc/95/42/97/1307954297.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942466 1307954302 /nfs/dbraw/zinc/95/43/02/1307954302.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045942914 1307955575 /nfs/dbraw/zinc/95/55/75/1307955575.db2.gz CVMQYSVYTPMLMX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942914 1307955577 /nfs/dbraw/zinc/95/55/77/1307955577.db2.gz CVMQYSVYTPMLMX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942914 1307955578 /nfs/dbraw/zinc/95/55/78/1307955578.db2.gz CVMQYSVYTPMLMX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045942916 1307955733 /nfs/dbraw/zinc/95/57/33/1307955733.db2.gz CVMQYSVYTPMLMX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942916 1307955735 /nfs/dbraw/zinc/95/57/35/1307955735.db2.gz CVMQYSVYTPMLMX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942916 1307955740 /nfs/dbraw/zinc/95/57/40/1307955740.db2.gz CVMQYSVYTPMLMX-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278203 1307956086 /nfs/dbraw/zinc/95/60/86/1307956086.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278203 1307956091 /nfs/dbraw/zinc/95/60/91/1307956091.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278203 1307956096 /nfs/dbraw/zinc/95/60/96/1307956096.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943061 1307956583 /nfs/dbraw/zinc/95/65/83/1307956583.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045943061 1307956590 /nfs/dbraw/zinc/95/65/90/1307956590.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045943061 1307956596 /nfs/dbraw/zinc/95/65/96/1307956596.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943455 1307956720 /nfs/dbraw/zinc/95/67/20/1307956720.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943455 1307956723 /nfs/dbraw/zinc/95/67/23/1307956723.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943455 1307956728 /nfs/dbraw/zinc/95/67/28/1307956728.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943739 1307959118 /nfs/dbraw/zinc/95/91/18/1307959118.db2.gz NSZWSOQDIPHSRA-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943741 1307959146 /nfs/dbraw/zinc/95/91/46/1307959146.db2.gz NSZWSOQDIPHSRA-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943769 1307959293 /nfs/dbraw/zinc/95/92/93/1307959293.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943769 1307959300 /nfs/dbraw/zinc/95/93/00/1307959300.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943769 1307959303 /nfs/dbraw/zinc/95/93/03/1307959303.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945164 1307963275 /nfs/dbraw/zinc/96/32/75/1307963275.db2.gz NUEVKUWBHCAZHS-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945164 1307963281 /nfs/dbraw/zinc/96/32/81/1307963281.db2.gz NUEVKUWBHCAZHS-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945510 1307964807 /nfs/dbraw/zinc/96/48/07/1307964807.db2.gz UMFABIQPQPQDFC-AZUAARDMSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945722 1307965696 /nfs/dbraw/zinc/96/56/96/1307965696.db2.gz YDUZJHGHHOSHRA-AZUAARDMSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953327 1307987769 /nfs/dbraw/zinc/98/77/69/1307987769.db2.gz YENGFOLUWHUPGM-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1ccnc1)C2 ZINC001045958185 1307999223 /nfs/dbraw/zinc/99/92/23/1307999223.db2.gz LVWPNLVAPBEKGV-FQEVSTJZSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045962133 1308011894 /nfs/dbraw/zinc/01/18/94/1308011894.db2.gz XQGIHFHHXSIXOC-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045962133 1308011897 /nfs/dbraw/zinc/01/18/97/1308011897.db2.gz XQGIHFHHXSIXOC-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045962133 1308011900 /nfs/dbraw/zinc/01/19/00/1308011900.db2.gz XQGIHFHHXSIXOC-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973857 1308044145 /nfs/dbraw/zinc/04/41/45/1308044145.db2.gz VZPLZPAEMFHEKM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979401 1308062882 /nfs/dbraw/zinc/06/28/82/1308062882.db2.gz DCBZPKLCPLPENZ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979401 1308062885 /nfs/dbraw/zinc/06/28/85/1308062885.db2.gz DCBZPKLCPLPENZ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979401 1308062891 /nfs/dbraw/zinc/06/28/91/1308062891.db2.gz DCBZPKLCPLPENZ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982083 1308074549 /nfs/dbraw/zinc/07/45/49/1308074549.db2.gz NOAPPZQHCQPFHW-FQEVSTJZSA-N 2 1 344.503 2.633 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985479 1308084770 /nfs/dbraw/zinc/08/47/70/1308084770.db2.gz VFBNRVQVSDUVGX-FQEVSTJZSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985479 1308084775 /nfs/dbraw/zinc/08/47/75/1308084775.db2.gz VFBNRVQVSDUVGX-FQEVSTJZSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510438 1308125742 /nfs/dbraw/zinc/12/57/42/1308125742.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008510438 1308125749 /nfs/dbraw/zinc/12/57/49/1308125749.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008510438 1308125751 /nfs/dbraw/zinc/12/57/51/1308125751.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319511 1308536718 /nfs/dbraw/zinc/53/67/18/1308536718.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319511 1308536724 /nfs/dbraw/zinc/53/67/24/1308536724.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319511 1308536728 /nfs/dbraw/zinc/53/67/28/1308536728.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680175 1308605932 /nfs/dbraw/zinc/60/59/32/1308605932.db2.gz FUEOFBOKTASAKA-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179031 1314292611 /nfs/dbraw/zinc/29/26/11/1314292611.db2.gz GHICJUQXMCJBDM-FUHIMQAGSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707364 1309146651 /nfs/dbraw/zinc/14/66/51/1309146651.db2.gz SEWSBGYUTSXLAK-HXUWFJFHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701375 1314310723 /nfs/dbraw/zinc/31/07/23/1314310723.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701375 1314310727 /nfs/dbraw/zinc/31/07/27/1314310727.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701375 1314310728 /nfs/dbraw/zinc/31/07/28/1314310728.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337387 1314315670 /nfs/dbraw/zinc/31/56/70/1314315670.db2.gz ODCGDEWKOFDEMY-HLLBOEOZSA-N 2 1 330.476 2.552 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337387 1314315672 /nfs/dbraw/zinc/31/56/72/1314315672.db2.gz ODCGDEWKOFDEMY-HLLBOEOZSA-N 2 1 330.476 2.552 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046934286 1309711703 /nfs/dbraw/zinc/71/17/03/1309711703.db2.gz AAPKGUNOCGKUCY-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046934286 1309711709 /nfs/dbraw/zinc/71/17/09/1309711709.db2.gz AAPKGUNOCGKUCY-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046934286 1309711714 /nfs/dbraw/zinc/71/17/14/1309711714.db2.gz AAPKGUNOCGKUCY-JKSUJKDBSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758544 1314353689 /nfs/dbraw/zinc/35/36/89/1314353689.db2.gz WRWZNXIFGXJGKP-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758544 1314353693 /nfs/dbraw/zinc/35/36/93/1314353693.db2.gz WRWZNXIFGXJGKP-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633431 1314364516 /nfs/dbraw/zinc/36/45/16/1314364516.db2.gz CAPKOFKERMNXTR-OALUTQOASA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210646268 1314366126 /nfs/dbraw/zinc/36/61/26/1314366126.db2.gz WJJYQOMYYBZJNJ-RTBURBONSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231810 1310368627 /nfs/dbraw/zinc/36/86/27/1310368627.db2.gz QDLTWGSVLLXLGU-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047244473 1310400590 /nfs/dbraw/zinc/40/05/90/1310400590.db2.gz SIHADOJNDARQLQ-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176091 1310485531 /nfs/dbraw/zinc/48/55/31/1310485531.db2.gz SFUOBHMXCHFIAG-QYZOEREBSA-N 2 1 327.472 2.659 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664058 1311009404 /nfs/dbraw/zinc/00/94/04/1311009404.db2.gz CECKWYCBECTYGK-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664058 1311009408 /nfs/dbraw/zinc/00/94/08/1311009408.db2.gz CECKWYCBECTYGK-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664058 1311009411 /nfs/dbraw/zinc/00/94/11/1311009411.db2.gz CECKWYCBECTYGK-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671547 1311010370 /nfs/dbraw/zinc/01/03/70/1311010370.db2.gz BIHPYDIIEKUIBG-KVSKMBFKSA-N 2 1 338.455 2.835 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848328 1311042399 /nfs/dbraw/zinc/04/23/99/1311042399.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848328 1311042400 /nfs/dbraw/zinc/04/24/00/1311042400.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848328 1311042404 /nfs/dbraw/zinc/04/24/04/1311042404.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848329 1311042927 /nfs/dbraw/zinc/04/29/27/1311042927.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848329 1311042928 /nfs/dbraw/zinc/04/29/28/1311042928.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848329 1311042931 /nfs/dbraw/zinc/04/29/31/1311042931.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876814 1311046639 /nfs/dbraw/zinc/04/66/39/1311046639.db2.gz WDAOBFGLGVSMRM-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876814 1311046641 /nfs/dbraw/zinc/04/66/41/1311046641.db2.gz WDAOBFGLGVSMRM-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876814 1311046645 /nfs/dbraw/zinc/04/66/45/1311046645.db2.gz WDAOBFGLGVSMRM-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889923 1311049211 /nfs/dbraw/zinc/04/92/11/1311049211.db2.gz VMOAWDSCHCSVSB-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945204 1311058810 /nfs/dbraw/zinc/05/88/10/1311058810.db2.gz ISYJEJXHRDFBNP-GUDVDZBRSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945204 1311058813 /nfs/dbraw/zinc/05/88/13/1311058813.db2.gz ISYJEJXHRDFBNP-GUDVDZBRSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945204 1311058814 /nfs/dbraw/zinc/05/88/14/1311058814.db2.gz ISYJEJXHRDFBNP-GUDVDZBRSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952120 1311059178 /nfs/dbraw/zinc/05/91/78/1311059178.db2.gz PRYCFMLVXPGQQV-FRQCXROJSA-N 2 1 342.487 2.649 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952120 1311059180 /nfs/dbraw/zinc/05/91/80/1311059180.db2.gz PRYCFMLVXPGQQV-FRQCXROJSA-N 2 1 342.487 2.649 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258266 1311079853 /nfs/dbraw/zinc/07/98/53/1311079853.db2.gz PBULEYLOKLJKGG-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092611 1311082985 /nfs/dbraw/zinc/08/29/85/1311082985.db2.gz UDZDROPBQYKUMY-IBGZPJMESA-N 2 1 329.488 2.665 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092611 1311082989 /nfs/dbraw/zinc/08/29/89/1311082989.db2.gz UDZDROPBQYKUMY-IBGZPJMESA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001099490166 1311097253 /nfs/dbraw/zinc/09/72/53/1311097253.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490166 1311097255 /nfs/dbraw/zinc/09/72/55/1311097255.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490166 1311097258 /nfs/dbraw/zinc/09/72/58/1311097258.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099526658 1311100622 /nfs/dbraw/zinc/10/06/22/1311100622.db2.gz AAFBRQIPCHMZDN-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099547362 1311101200 /nfs/dbraw/zinc/10/12/00/1311101200.db2.gz DLXXOOPAUWBPFN-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924055 1311103192 /nfs/dbraw/zinc/10/31/92/1311103192.db2.gz IPDKEYCLYQHITA-UYAOXDASSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924055 1311103195 /nfs/dbraw/zinc/10/31/95/1311103195.db2.gz IPDKEYCLYQHITA-UYAOXDASSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000801924055 1311103198 /nfs/dbraw/zinc/10/31/98/1311103198.db2.gz IPDKEYCLYQHITA-UYAOXDASSA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000801924055 1311103202 /nfs/dbraw/zinc/10/32/02/1311103202.db2.gz IPDKEYCLYQHITA-UYAOXDASSA-N 2 1 327.472 2.903 20 30 EFEDMP C=CCCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521349 1311146435 /nfs/dbraw/zinc/14/64/35/1311146435.db2.gz REPNOZXSMYAKJW-FQEVSTJZSA-N 2 1 333.520 2.705 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222921050 1311199186 /nfs/dbraw/zinc/19/91/86/1311199186.db2.gz CEDANSIWPLNAAZ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222921050 1311199190 /nfs/dbraw/zinc/19/91/90/1311199190.db2.gz CEDANSIWPLNAAZ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222921050 1311199191 /nfs/dbraw/zinc/19/91/91/1311199191.db2.gz CEDANSIWPLNAAZ-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101066745 1311213380 /nfs/dbraw/zinc/21/33/80/1311213380.db2.gz GGAXFBFOQBKZLA-QHGAOEGBSA-N 2 1 343.515 2.958 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101066745 1311213382 /nfs/dbraw/zinc/21/33/82/1311213382.db2.gz GGAXFBFOQBKZLA-QHGAOEGBSA-N 2 1 343.515 2.958 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115522 1311220213 /nfs/dbraw/zinc/22/02/13/1311220213.db2.gz DFZQVUZWICUFEY-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223182177 1311227197 /nfs/dbraw/zinc/22/71/97/1311227197.db2.gz YOIWWLOVRLOFAA-HOJAQTOUSA-N 2 1 345.531 2.750 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228389 /nfs/dbraw/zinc/22/83/89/1311228389.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228391 /nfs/dbraw/zinc/22/83/91/1311228391.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228392 /nfs/dbraw/zinc/22/83/92/1311228392.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001223194861 1311229032 /nfs/dbraw/zinc/22/90/32/1311229032.db2.gz TYSONCWPIBMWPZ-MOPGFXCFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287698 1311231596 /nfs/dbraw/zinc/23/15/96/1311231596.db2.gz ZVRNGKGUDKWDOX-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287698 1311231599 /nfs/dbraw/zinc/23/15/99/1311231599.db2.gz ZVRNGKGUDKWDOX-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287698 1311231602 /nfs/dbraw/zinc/23/16/02/1311231602.db2.gz ZVRNGKGUDKWDOX-DYXWJJEUSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223250270 1311233158 /nfs/dbraw/zinc/23/31/58/1311233158.db2.gz WDQCJWXPYPKCLD-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258459 1311233770 /nfs/dbraw/zinc/23/37/70/1311233770.db2.gz JMYPOEFSSZQXAL-INIZCTEOSA-N 2 1 332.492 2.801 20 30 EFEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551522 1311249115 /nfs/dbraw/zinc/24/91/15/1311249115.db2.gz ORJTWHILNVIWTB-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489453 1311267785 /nfs/dbraw/zinc/26/77/85/1311267785.db2.gz PNOAPEAVSGCYDJ-QYZOEREBSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C\CCC)CC1 ZINC001223495080 1311268597 /nfs/dbraw/zinc/26/85/97/1311268597.db2.gz IYHUAMIGOVVYQI-HCZHMGAMSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C\CCC)CC1 ZINC001223495080 1311268598 /nfs/dbraw/zinc/26/85/98/1311268598.db2.gz IYHUAMIGOVVYQI-HCZHMGAMSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001223507789 1311270080 /nfs/dbraw/zinc/27/00/80/1311270080.db2.gz WHRCIZXGAONJRR-USXIJHARSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521897 1311271757 /nfs/dbraw/zinc/27/17/57/1311271757.db2.gz HSBHQFJDMWQZKR-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521897 1311271760 /nfs/dbraw/zinc/27/17/60/1311271760.db2.gz HSBHQFJDMWQZKR-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521897 1311271761 /nfs/dbraw/zinc/27/17/61/1311271761.db2.gz HSBHQFJDMWQZKR-MSOLQXFVSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189944 1311293351 /nfs/dbraw/zinc/29/33/51/1311293351.db2.gz JTCAEBNQBZLDRU-BHIYHBOVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223836731 1311309849 /nfs/dbraw/zinc/30/98/49/1311309849.db2.gz FOMOROMPMMNJQP-UHFFFAOYSA-N 2 1 344.503 2.556 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130022 1311346474 /nfs/dbraw/zinc/34/64/74/1311346474.db2.gz LMOPQXRFNGEKGH-QYZOEREBSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130022 1311346476 /nfs/dbraw/zinc/34/64/76/1311346476.db2.gz LMOPQXRFNGEKGH-QYZOEREBSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130022 1311346478 /nfs/dbraw/zinc/34/64/78/1311346478.db2.gz LMOPQXRFNGEKGH-QYZOEREBSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224128926 1311346621 /nfs/dbraw/zinc/34/66/21/1311346621.db2.gz AEBPSCYHGHZOII-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128926 1311346622 /nfs/dbraw/zinc/34/66/22/1311346622.db2.gz AEBPSCYHGHZOII-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128926 1311346625 /nfs/dbraw/zinc/34/66/25/1311346625.db2.gz AEBPSCYHGHZOII-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546287 1311405336 /nfs/dbraw/zinc/40/53/36/1311405336.db2.gz JCIMQHZYXFKHHQ-HKUYNNGSSA-N 2 1 335.536 2.759 20 30 EFEDMP C[N+](C)(C)C[C@@H](CC#N)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829590 1311440395 /nfs/dbraw/zinc/44/03/95/1311440395.db2.gz LBAJRGPAWISFKX-VQTJNVASSA-N 2 1 330.496 2.904 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884213 1311446489 /nfs/dbraw/zinc/44/64/89/1311446489.db2.gz QITKFQPXFFFVIC-QGZVFWFLSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160130973 1311650088 /nfs/dbraw/zinc/65/00/88/1311650088.db2.gz AVBJWFYFKQZDBF-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160130973 1311650090 /nfs/dbraw/zinc/65/00/90/1311650090.db2.gz AVBJWFYFKQZDBF-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160130973 1311650094 /nfs/dbraw/zinc/65/00/94/1311650094.db2.gz AVBJWFYFKQZDBF-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131022 1311650993 /nfs/dbraw/zinc/65/09/93/1311650993.db2.gz CYCPGXBQSYDKGN-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131022 1311650995 /nfs/dbraw/zinc/65/09/95/1311650995.db2.gz CYCPGXBQSYDKGN-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131022 1311650996 /nfs/dbraw/zinc/65/09/96/1311650996.db2.gz CYCPGXBQSYDKGN-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169217 1311659377 /nfs/dbraw/zinc/65/93/77/1311659377.db2.gz LSOUYFSXYMRUBM-KRWDZBQOSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169217 1311659380 /nfs/dbraw/zinc/65/93/80/1311659380.db2.gz LSOUYFSXYMRUBM-KRWDZBQOSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001160197793 1311662888 /nfs/dbraw/zinc/66/28/88/1311662888.db2.gz GRJZPJGRTQKHFN-NRFANRHFSA-N 2 1 349.478 2.533 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001160197793 1311662891 /nfs/dbraw/zinc/66/28/91/1311662891.db2.gz GRJZPJGRTQKHFN-NRFANRHFSA-N 2 1 349.478 2.533 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160209213 1311665439 /nfs/dbraw/zinc/66/54/39/1311665439.db2.gz DGVCQODEGHHWQJ-IBGZPJMESA-N 2 1 333.520 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160209213 1311665440 /nfs/dbraw/zinc/66/54/40/1311665440.db2.gz DGVCQODEGHHWQJ-IBGZPJMESA-N 2 1 333.520 2.540 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352269 1311695517 /nfs/dbraw/zinc/69/55/17/1311695517.db2.gz FTAQBXLALZHDLB-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352269 1311695521 /nfs/dbraw/zinc/69/55/21/1311695521.db2.gz FTAQBXLALZHDLB-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352269 1311695525 /nfs/dbraw/zinc/69/55/25/1311695525.db2.gz FTAQBXLALZHDLB-LJQANCHMSA-N 2 1 333.520 2.679 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359848 1311696030 /nfs/dbraw/zinc/69/60/30/1311696030.db2.gz CRFOWNDAEITVGT-LJQANCHMSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359848 1311696035 /nfs/dbraw/zinc/69/60/35/1311696035.db2.gz CRFOWNDAEITVGT-LJQANCHMSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359848 1311696039 /nfs/dbraw/zinc/69/60/39/1311696039.db2.gz CRFOWNDAEITVGT-LJQANCHMSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400222 1311703084 /nfs/dbraw/zinc/70/30/84/1311703084.db2.gz LZJYOFGJQDKQGV-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400222 1311703088 /nfs/dbraw/zinc/70/30/88/1311703088.db2.gz LZJYOFGJQDKQGV-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400222 1311703091 /nfs/dbraw/zinc/70/30/91/1311703091.db2.gz LZJYOFGJQDKQGV-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400222 1311703094 /nfs/dbraw/zinc/70/30/94/1311703094.db2.gz LZJYOFGJQDKQGV-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399878 1311703294 /nfs/dbraw/zinc/70/32/94/1311703294.db2.gz FTBJOOFAJAOPJQ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399878 1311703296 /nfs/dbraw/zinc/70/32/96/1311703296.db2.gz FTBJOOFAJAOPJQ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399878 1311703298 /nfs/dbraw/zinc/70/32/98/1311703298.db2.gz FTBJOOFAJAOPJQ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151221 1311714558 /nfs/dbraw/zinc/71/45/58/1311714558.db2.gz DQAJPOWGTSKZED-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226767174 1311719914 /nfs/dbraw/zinc/71/99/14/1311719914.db2.gz SMJJRXAMXVJQIL-GUDVDZBRSA-N 2 1 335.536 2.948 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492311 1311721351 /nfs/dbraw/zinc/72/13/51/1311721351.db2.gz PPGONTJTJXIPHQ-UHFFFAOYSA-N 2 1 345.531 2.967 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499772 1311722967 /nfs/dbraw/zinc/72/29/67/1311722967.db2.gz ICMVVAQXJXVLCD-IEBWSBKVSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499772 1311722969 /nfs/dbraw/zinc/72/29/69/1311722969.db2.gz ICMVVAQXJXVLCD-IEBWSBKVSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499772 1311722971 /nfs/dbraw/zinc/72/29/71/1311722971.db2.gz ICMVVAQXJXVLCD-IEBWSBKVSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787158 1311781387 /nfs/dbraw/zinc/78/13/87/1311781387.db2.gz JHBLKUWFBIJKNK-FQEVSTJZSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804977 1311785026 /nfs/dbraw/zinc/78/50/26/1311785026.db2.gz XGSCBJFNYHSJJT-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525557 1311815646 /nfs/dbraw/zinc/81/56/46/1311815646.db2.gz ZETPEGJYNHBHEI-QZTJIDSGSA-N 2 1 332.492 2.955 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007951 1311835169 /nfs/dbraw/zinc/83/51/69/1311835169.db2.gz IBOONCQNWPUUBG-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007951 1311835171 /nfs/dbraw/zinc/83/51/71/1311835171.db2.gz IBOONCQNWPUUBG-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007951 1311835173 /nfs/dbraw/zinc/83/51/73/1311835173.db2.gz IBOONCQNWPUUBG-HKUYNNGSSA-N 2 1 333.520 2.821 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227727720 1311846591 /nfs/dbraw/zinc/84/65/91/1311846591.db2.gz HUMPUALPQARQBD-RTBURBONSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525171 1311861326 /nfs/dbraw/zinc/86/13/26/1311861326.db2.gz NYNGTUIXYXCSMN-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525171 1311861330 /nfs/dbraw/zinc/86/13/30/1311861330.db2.gz NYNGTUIXYXCSMN-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525171 1311861333 /nfs/dbraw/zinc/86/13/33/1311861333.db2.gz NYNGTUIXYXCSMN-FSGKZVOOSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048525940 1311861744 /nfs/dbraw/zinc/86/17/44/1311861744.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048525940 1311861746 /nfs/dbraw/zinc/86/17/46/1311861746.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048525940 1311861748 /nfs/dbraw/zinc/86/17/48/1311861748.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529350 1311867041 /nfs/dbraw/zinc/86/70/41/1311867041.db2.gz LQDXZBKZQZHFFT-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529350 1311867045 /nfs/dbraw/zinc/86/70/45/1311867045.db2.gz LQDXZBKZQZHFFT-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529350 1311867050 /nfs/dbraw/zinc/86/70/50/1311867050.db2.gz LQDXZBKZQZHFFT-XCDZQEORSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001161385953 1311875093 /nfs/dbraw/zinc/87/50/93/1311875093.db2.gz CRZZOZMIULSNNA-IRXDYDNUSA-N 2 1 331.460 2.834 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572229 1311920172 /nfs/dbraw/zinc/92/01/72/1311920172.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572229 1311920174 /nfs/dbraw/zinc/92/01/74/1311920174.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 2 1 345.531 2.632 20 30 EFEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572229 1311920176 /nfs/dbraw/zinc/92/01/76/1311920176.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 2 1 345.531 2.632 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161695104 1311953519 /nfs/dbraw/zinc/95/35/19/1311953519.db2.gz VTRMFEKVRLYMSN-UHFFFAOYSA-N 2 1 345.531 2.823 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698713 1311953599 /nfs/dbraw/zinc/95/35/99/1311953599.db2.gz AQRCPJPWXGKLJC-IEBWSBKVSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161698713 1311953601 /nfs/dbraw/zinc/95/36/01/1311953601.db2.gz AQRCPJPWXGKLJC-IEBWSBKVSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161698713 1311953604 /nfs/dbraw/zinc/95/36/04/1311953604.db2.gz AQRCPJPWXGKLJC-IEBWSBKVSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704692 1311955722 /nfs/dbraw/zinc/95/57/22/1311955722.db2.gz GFAKQNKPXODZKM-MOPGFXCFSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749772 1311964804 /nfs/dbraw/zinc/96/48/04/1311964804.db2.gz LLQHKAXURYDKOG-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749772 1311964808 /nfs/dbraw/zinc/96/48/08/1311964808.db2.gz LLQHKAXURYDKOG-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749772 1311964811 /nfs/dbraw/zinc/96/48/11/1311964811.db2.gz LLQHKAXURYDKOG-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749772 1311964814 /nfs/dbraw/zinc/96/48/14/1311964814.db2.gz LLQHKAXURYDKOG-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161789805 1311973009 /nfs/dbraw/zinc/97/30/09/1311973009.db2.gz ARBHLDDJKUHGOT-NQIIRXRSSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001161789805 1311973013 /nfs/dbraw/zinc/97/30/13/1311973013.db2.gz ARBHLDDJKUHGOT-NQIIRXRSSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001161789805 1311973016 /nfs/dbraw/zinc/97/30/16/1311973016.db2.gz ARBHLDDJKUHGOT-NQIIRXRSSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879635 1311993510 /nfs/dbraw/zinc/99/35/10/1311993510.db2.gz RDPJGFOGAPKTLC-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161951993 1312011984 /nfs/dbraw/zinc/01/19/84/1312011984.db2.gz ABXNYKJKSAANDS-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952366 1312012711 /nfs/dbraw/zinc/01/27/11/1312012711.db2.gz HFTBFQYWOMZYDW-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994237 1312024340 /nfs/dbraw/zinc/02/43/40/1312024340.db2.gz VYOJONMVICMLEK-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC001162101671 1312048081 /nfs/dbraw/zinc/04/80/81/1312048081.db2.gz DIGPNTDPWUPBKI-PXNSSMCTSA-N 2 1 328.504 2.715 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001163006638 1312224322 /nfs/dbraw/zinc/22/43/22/1312224322.db2.gz HDOCLWMTKIVOKC-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230348024 1312226940 /nfs/dbraw/zinc/22/69/40/1312226940.db2.gz QSHRJOJLKCSDEL-QZTJIDSGSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230348024 1312226944 /nfs/dbraw/zinc/22/69/44/1312226944.db2.gz QSHRJOJLKCSDEL-QZTJIDSGSA-N 2 1 349.906 2.888 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001230580851 1312272000 /nfs/dbraw/zinc/27/20/00/1312272000.db2.gz RMECVIXXYRTDGQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001230580851 1312272004 /nfs/dbraw/zinc/27/20/04/1312272004.db2.gz RMECVIXXYRTDGQ-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592182 1312276557 /nfs/dbraw/zinc/27/65/57/1312276557.db2.gz UJTYNKBNUYTBNI-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592016 1312276660 /nfs/dbraw/zinc/27/66/60/1312276660.db2.gz POOHJIKUBZLJBR-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591850 1312276858 /nfs/dbraw/zinc/27/68/58/1312276858.db2.gz LLBJYQGWXLZEEK-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598690 1312279297 /nfs/dbraw/zinc/27/92/97/1312279297.db2.gz WXJVVZYICTYFNV-VQTJNVASSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230604870 1312280899 /nfs/dbraw/zinc/28/08/99/1312280899.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230604870 1312280901 /nfs/dbraw/zinc/28/09/01/1312280901.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230604870 1312280904 /nfs/dbraw/zinc/28/09/04/1312280904.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 2 1 347.547 2.691 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612883 1312284381 /nfs/dbraw/zinc/28/43/81/1312284381.db2.gz HQLBFPLSOLTUSE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612883 1312284385 /nfs/dbraw/zinc/28/43/85/1312284385.db2.gz HQLBFPLSOLTUSE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612883 1312284389 /nfs/dbraw/zinc/28/43/89/1312284389.db2.gz HQLBFPLSOLTUSE-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622247 1312287617 /nfs/dbraw/zinc/28/76/17/1312287617.db2.gz LWOPVFBCPNPHFM-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623408 1312288734 /nfs/dbraw/zinc/28/87/34/1312288734.db2.gz XFMJKSWKVCGBSU-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](C)C1 ZINC001163358834 1312295455 /nfs/dbraw/zinc/29/54/55/1312295455.db2.gz YKCLWJBAWLXMEK-KSSFIOAISA-N 2 1 327.476 2.520 20 30 EFEDMP CC(C)[N@H+]1CC[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](C)C1 ZINC001163358835 1312295577 /nfs/dbraw/zinc/29/55/77/1312295577.db2.gz YKCLWJBAWLXMEK-RDTXWAMCSA-N 2 1 327.476 2.520 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003277 1312348835 /nfs/dbraw/zinc/34/88/35/1312348835.db2.gz GGSGIRDFEXQDJB-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003277 1312348838 /nfs/dbraw/zinc/34/88/38/1312348838.db2.gz GGSGIRDFEXQDJB-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003277 1312348840 /nfs/dbraw/zinc/34/88/40/1312348840.db2.gz GGSGIRDFEXQDJB-NSHGMRRFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871291 1312375705 /nfs/dbraw/zinc/37/57/05/1312375705.db2.gz AQHRXAVUIYBXBQ-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[NH+](CCCNC(=O)C[N@H+](C)CCC)Cc1cccnc1 ZINC001230905136 1312386513 /nfs/dbraw/zinc/38/65/13/1312386513.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230905136 1312386517 /nfs/dbraw/zinc/38/65/17/1312386517.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230905136 1312386521 /nfs/dbraw/zinc/38/65/21/1312386521.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)C[NH+](CCCNC(=O)CC[N@H+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386849 /nfs/dbraw/zinc/38/68/49/1312386849.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)C[N@@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386853 /nfs/dbraw/zinc/38/68/53/1312386853.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)C[N@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386857 /nfs/dbraw/zinc/38/68/57/1312386857.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094079 1312448588 /nfs/dbraw/zinc/44/85/88/1312448588.db2.gz DJHAFLUKAVSVEK-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165604 1312532745 /nfs/dbraw/zinc/53/27/45/1312532745.db2.gz VDJLDFLTLLZUMR-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165604 1312532748 /nfs/dbraw/zinc/53/27/48/1312532748.db2.gz VDJLDFLTLLZUMR-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165604 1312532753 /nfs/dbraw/zinc/53/27/53/1312532753.db2.gz VDJLDFLTLLZUMR-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCOc1cccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)c1 ZINC001231621337 1312533509 /nfs/dbraw/zinc/53/35/09/1312533509.db2.gz YSZPUOVKLCOWPY-UHFFFAOYSA-N 2 1 331.504 2.711 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165473232 1312635268 /nfs/dbraw/zinc/63/52/68/1312635268.db2.gz XZUINGLTRQJVIX-GOSISDBHSA-N 2 1 335.536 2.807 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860879 1314428699 /nfs/dbraw/zinc/42/86/99/1314428699.db2.gz YYKOFOABLCVDPB-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860879 1314428701 /nfs/dbraw/zinc/42/87/01/1314428701.db2.gz YYKOFOABLCVDPB-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860879 1314428702 /nfs/dbraw/zinc/42/87/02/1314428702.db2.gz YYKOFOABLCVDPB-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268039 1314466808 /nfs/dbraw/zinc/46/68/08/1314466808.db2.gz GFHGTCHDYBUALA-RTBURBONSA-N 2 1 329.488 2.836 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001211307044 1314472796 /nfs/dbraw/zinc/47/27/96/1314472796.db2.gz MZUPYSSMHOTEER-PORCLINASA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374853 1314487622 /nfs/dbraw/zinc/48/76/22/1314487622.db2.gz QHYDQIKOQHJPQS-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374853 1314487623 /nfs/dbraw/zinc/48/76/23/1314487623.db2.gz QHYDQIKOQHJPQS-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952416 1314511550 /nfs/dbraw/zinc/51/15/50/1314511550.db2.gz DLSMQUXJLQRFTE-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955319 1314515945 /nfs/dbraw/zinc/51/59/45/1314515945.db2.gz CXKPWASYAVQZJX-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955319 1314515949 /nfs/dbraw/zinc/51/59/49/1314515949.db2.gz CXKPWASYAVQZJX-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955319 1314515952 /nfs/dbraw/zinc/51/59/52/1314515952.db2.gz CXKPWASYAVQZJX-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001052989713 1314546226 /nfs/dbraw/zinc/54/62/26/1314546226.db2.gz STYIYAVOMSBNJA-HDICACEKSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001052989713 1314546229 /nfs/dbraw/zinc/54/62/29/1314546229.db2.gz STYIYAVOMSBNJA-HDICACEKSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1COCCC12C[NH2+]C2 ZINC001245987550 1314560153 /nfs/dbraw/zinc/56/01/53/1314560153.db2.gz ZVMJZJQWRITAKV-QZTJIDSGSA-N 2 1 326.525 2.846 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246031862 1314569874 /nfs/dbraw/zinc/56/98/74/1314569874.db2.gz IZWFZUYDCDGWSA-XHSDSOJGSA-N 2 1 334.426 2.958 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246031862 1314569878 /nfs/dbraw/zinc/56/98/78/1314569878.db2.gz IZWFZUYDCDGWSA-XHSDSOJGSA-N 2 1 334.426 2.958 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600301 /nfs/dbraw/zinc/60/03/01/1314600301.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600306 /nfs/dbraw/zinc/60/03/06/1314600306.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600310 /nfs/dbraw/zinc/60/03/10/1314600310.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600312 /nfs/dbraw/zinc/60/03/12/1314600312.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 2 1 348.494 2.853 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600821 /nfs/dbraw/zinc/60/08/21/1314600821.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 2 1 341.540 2.504 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600827 /nfs/dbraw/zinc/60/08/27/1314600827.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 2 1 341.540 2.504 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600830 /nfs/dbraw/zinc/60/08/30/1314600830.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029932 1314602819 /nfs/dbraw/zinc/60/28/19/1314602819.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029932 1314602824 /nfs/dbraw/zinc/60/28/24/1314602824.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029932 1314602830 /nfs/dbraw/zinc/60/28/30/1314602830.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001246302597 1314608006 /nfs/dbraw/zinc/60/80/06/1314608006.db2.gz DPAOZPUEDBOSJQ-PBHICJAKSA-N 2 1 336.863 2.624 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246401103 1314624002 /nfs/dbraw/zinc/62/40/02/1314624002.db2.gz JZSAMQSTHYZRKB-FDYSRKEFSA-N 2 1 343.471 2.899 20 30 EFEDMP N#CC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246403858 1314624388 /nfs/dbraw/zinc/62/43/88/1314624388.db2.gz FBWKXYMPQOLBPZ-VJFUWPCTSA-N 2 1 329.444 2.509 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045183 1314628784 /nfs/dbraw/zinc/62/87/84/1314628784.db2.gz XQULGEUSTLDNLJ-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045185 1314628969 /nfs/dbraw/zinc/62/89/69/1314628969.db2.gz XQULGEUSTLDNLJ-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442886 1314629638 /nfs/dbraw/zinc/62/96/38/1314629638.db2.gz QVALJSNHBRCWFH-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442886 1314629641 /nfs/dbraw/zinc/62/96/41/1314629641.db2.gz QVALJSNHBRCWFH-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443373 1314629812 /nfs/dbraw/zinc/62/98/12/1314629812.db2.gz SJMGWABCKWSIDV-HUYLIWGRSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443374 1314630201 /nfs/dbraw/zinc/63/02/01/1314630201.db2.gz SJMGWABCKWSIDV-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246485851 1314635230 /nfs/dbraw/zinc/63/52/30/1314635230.db2.gz ORNWZGZMLJIJDM-FGTMMUONSA-N 2 1 329.444 2.509 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049879 1314635359 /nfs/dbraw/zinc/63/53/59/1314635359.db2.gz ATIRLOFGQLXCRK-RBUKOAKNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050122 1314636687 /nfs/dbraw/zinc/63/66/87/1314636687.db2.gz COPCWOXXKKXQGB-WOJBJXKFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246525362 1314642044 /nfs/dbraw/zinc/64/20/44/1314642044.db2.gz JGNMPNIRCBBHQL-IRXDYDNUSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC001246526816 1314642409 /nfs/dbraw/zinc/64/24/09/1314642409.db2.gz RMKCGXKKKNFMJP-SJORKVTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC001246526816 1314642412 /nfs/dbraw/zinc/64/24/12/1314642412.db2.gz RMKCGXKKKNFMJP-SJORKVTESA-N 2 1 335.492 2.628 20 30 EFEDMP CC[C@@H]1CC([NH+]2CCN(c3ccccc3C#N)CC2)C[C@@H](CC)[NH2+]1 ZINC001246532359 1314642748 /nfs/dbraw/zinc/64/27/48/1314642748.db2.gz ZABWZDCBGVUBDJ-QZTJIDSGSA-N 2 1 326.488 2.989 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053950 1314643589 /nfs/dbraw/zinc/64/35/89/1314643589.db2.gz FNPIIUONXXGASF-UXHICEINSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001246669021 1314667392 /nfs/dbraw/zinc/66/73/92/1314667392.db2.gz SYGSYLANAWFCST-ABSDTBQOSA-N 2 1 334.504 2.986 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087930 1314694905 /nfs/dbraw/zinc/69/49/05/1314694905.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087930 1314694911 /nfs/dbraw/zinc/69/49/11/1314694911.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087930 1314694916 /nfs/dbraw/zinc/69/49/16/1314694916.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087929 1314695284 /nfs/dbraw/zinc/69/52/84/1314695284.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087929 1314695287 /nfs/dbraw/zinc/69/52/87/1314695287.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087929 1314695292 /nfs/dbraw/zinc/69/52/92/1314695292.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088197 1314695708 /nfs/dbraw/zinc/69/57/08/1314695708.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088197 1314695711 /nfs/dbraw/zinc/69/57/11/1314695711.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088197 1314695715 /nfs/dbraw/zinc/69/57/15/1314695715.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882511 1314702211 /nfs/dbraw/zinc/70/22/11/1314702211.db2.gz YUSSGIWNQLGAKU-YHYVQYDKSA-N 2 1 331.463 2.962 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093376 1314704502 /nfs/dbraw/zinc/70/45/02/1314704502.db2.gz XXCYGIVHPAYOPN-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093376 1314704504 /nfs/dbraw/zinc/70/45/04/1314704504.db2.gz XXCYGIVHPAYOPN-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096444 1314708371 /nfs/dbraw/zinc/70/83/71/1314708371.db2.gz UCLJREHLIOYTNI-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096445 1314709000 /nfs/dbraw/zinc/70/90/00/1314709000.db2.gz UCLJREHLIOYTNI-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636553 1314718472 /nfs/dbraw/zinc/71/84/72/1314718472.db2.gz LVTIFTTXKAQKKB-ZIFCJYIRSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103960 1314723822 /nfs/dbraw/zinc/72/38/22/1314723822.db2.gz BEBKUOXNBRXBHX-PMACEKPBSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105411 1314728008 /nfs/dbraw/zinc/72/80/08/1314728008.db2.gz OIIZDTXZBJZVRE-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246999668 1314728384 /nfs/dbraw/zinc/72/83/84/1314728384.db2.gz GDJVGNPUPILLNI-LRYGQEGESA-N 2 1 335.492 2.675 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108839 1314733137 /nfs/dbraw/zinc/73/31/37/1314733137.db2.gz XHNDJWGNWWLGIW-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108839 1314733141 /nfs/dbraw/zinc/73/31/41/1314733141.db2.gz XHNDJWGNWWLGIW-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108098 1314733245 /nfs/dbraw/zinc/73/32/45/1314733245.db2.gz PEFWGEQJNMXHHI-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557815 1314851840 /nfs/dbraw/zinc/85/18/40/1314851840.db2.gz DMPYMRQMHLJSLN-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c(C#N)c1 ZINC001249327782 1315054780 /nfs/dbraw/zinc/05/47/80/1315054780.db2.gz QUQHRYNFVMGSSN-INIZCTEOSA-N 2 1 339.443 2.905 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833735 1315116222 /nfs/dbraw/zinc/11/62/22/1315116222.db2.gz YZKYVRRUBBHMLB-CTNGQTDRSA-N 2 1 344.499 2.991 20 30 EFEDMP CC[C@@]1(c2cccc(O[C@H]3C[NH2+]C[C@@H]3C#N)c2)CCCC[N@@H+](C)C1 ZINC001218410034 1315192063 /nfs/dbraw/zinc/19/20/63/1315192063.db2.gz YBIMSNKITOSREG-FFZOFVMBSA-N 2 1 327.472 2.940 20 30 EFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001054035777 1315198828 /nfs/dbraw/zinc/19/88/28/1315198828.db2.gz UVTUUNPZTPUTOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035777 1315198831 /nfs/dbraw/zinc/19/88/31/1315198831.db2.gz UVTUUNPZTPUTOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035777 1315198833 /nfs/dbraw/zinc/19/88/33/1315198833.db2.gz UVTUUNPZTPUTOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP N#Cc1cccc(CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)c1 ZINC001278587933 1315236045 /nfs/dbraw/zinc/23/60/45/1315236045.db2.gz BMSXHDYFWQNUDD-RTWAWAEBSA-N 3 1 349.482 2.980 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132806 1315342375 /nfs/dbraw/zinc/34/23/75/1315342375.db2.gz ORIJLCBDDBFELH-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132900 1315343580 /nfs/dbraw/zinc/34/35/80/1315343580.db2.gz RHMRKSPQOGJOKZ-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135562 1315346542 /nfs/dbraw/zinc/34/65/42/1315346542.db2.gz GAYDPQHUBMNSEG-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135562 1315346545 /nfs/dbraw/zinc/34/65/45/1315346545.db2.gz GAYDPQHUBMNSEG-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135562 1315346551 /nfs/dbraw/zinc/34/65/51/1315346551.db2.gz GAYDPQHUBMNSEG-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054135107 1315347299 /nfs/dbraw/zinc/34/72/99/1315347299.db2.gz VFIAJWLVWXUOMW-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135107 1315347301 /nfs/dbraw/zinc/34/73/01/1315347301.db2.gz VFIAJWLVWXUOMW-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135107 1315347304 /nfs/dbraw/zinc/34/73/04/1315347304.db2.gz VFIAJWLVWXUOMW-QWFCFKBJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054139532 1315353102 /nfs/dbraw/zinc/35/31/02/1315353102.db2.gz OUMPYXBFMKJVKD-IBGZPJMESA-N 2 1 347.528 2.924 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141384 1315356305 /nfs/dbraw/zinc/35/63/05/1315356305.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141384 1315356309 /nfs/dbraw/zinc/35/63/09/1315356309.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141384 1315356313 /nfs/dbraw/zinc/35/63/13/1315356313.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144169 1315361771 /nfs/dbraw/zinc/36/17/71/1315361771.db2.gz RAGSBDQKFZNOER-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144169 1315361772 /nfs/dbraw/zinc/36/17/72/1315361772.db2.gz RAGSBDQKFZNOER-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144169 1315361774 /nfs/dbraw/zinc/36/17/74/1315361774.db2.gz RAGSBDQKFZNOER-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144613 1315362127 /nfs/dbraw/zinc/36/21/27/1315362127.db2.gz AMTHVJMCPJEHER-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144613 1315362133 /nfs/dbraw/zinc/36/21/33/1315362133.db2.gz AMTHVJMCPJEHER-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144613 1315362135 /nfs/dbraw/zinc/36/21/35/1315362135.db2.gz AMTHVJMCPJEHER-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145233 1315363903 /nfs/dbraw/zinc/36/39/03/1315363903.db2.gz NKBUBHZQCDDBMR-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054152820 1315376936 /nfs/dbraw/zinc/37/69/36/1315376936.db2.gz HNOOIBFMZZUQIJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054152820 1315376940 /nfs/dbraw/zinc/37/69/40/1315376940.db2.gz HNOOIBFMZZUQIJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054152820 1315376944 /nfs/dbraw/zinc/37/69/44/1315376944.db2.gz HNOOIBFMZZUQIJ-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154374 1315380135 /nfs/dbraw/zinc/38/01/35/1315380135.db2.gz SRTUKOWIYDVAJN-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170176 1315403911 /nfs/dbraw/zinc/40/39/11/1315403911.db2.gz CIBCLXYAMYATAO-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183116 1315423455 /nfs/dbraw/zinc/42/34/55/1315423455.db2.gz YJKMOBUXOXQSIA-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183116 1315423458 /nfs/dbraw/zinc/42/34/58/1315423458.db2.gz YJKMOBUXOXQSIA-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183116 1315423464 /nfs/dbraw/zinc/42/34/64/1315423464.db2.gz YJKMOBUXOXQSIA-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCOC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001252467434 1315453162 /nfs/dbraw/zinc/45/31/62/1315453162.db2.gz YNBKOLROBPMBLB-HXUWFJFHSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205017 1315453690 /nfs/dbraw/zinc/45/36/90/1315453690.db2.gz IRGGAZDCPONWAN-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205017 1315453695 /nfs/dbraw/zinc/45/36/95/1315453695.db2.gz IRGGAZDCPONWAN-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552191 1315466599 /nfs/dbraw/zinc/46/65/99/1315466599.db2.gz HQTFTIHCZWMKRU-PMACEKPBSA-N 2 1 344.499 2.679 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252552080 1315467244 /nfs/dbraw/zinc/46/72/44/1315467244.db2.gz SPMCMVLYTCRPQB-FQEVSTJZSA-N 2 1 344.499 2.920 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132524 1315515091 /nfs/dbraw/zinc/51/50/91/1315515091.db2.gz NMNXHBMSGXWYRW-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132524 1315515094 /nfs/dbraw/zinc/51/50/94/1315515094.db2.gz NMNXHBMSGXWYRW-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132524 1315515097 /nfs/dbraw/zinc/51/50/97/1315515097.db2.gz NMNXHBMSGXWYRW-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132251 1315515199 /nfs/dbraw/zinc/51/51/99/1315515199.db2.gz GJUPRYSPSSBHIL-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132251 1315515201 /nfs/dbraw/zinc/51/52/01/1315515201.db2.gz GJUPRYSPSSBHIL-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132251 1315515205 /nfs/dbraw/zinc/51/52/05/1315515205.db2.gz GJUPRYSPSSBHIL-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244503 1315515786 /nfs/dbraw/zinc/51/57/86/1315515786.db2.gz FYEDBZRJZRSBAP-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245079 1315516910 /nfs/dbraw/zinc/51/69/10/1315516910.db2.gz OLXSBASZNPZJQA-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039135715 1315520421 /nfs/dbraw/zinc/52/04/21/1315520421.db2.gz IGMNZKNQSNNAOY-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)cc2C1 ZINC001054268748 1315522947 /nfs/dbraw/zinc/52/29/47/1315522947.db2.gz WFIKYHQNELKOPE-LJQANCHMSA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)cc2C1 ZINC001054268748 1315522949 /nfs/dbraw/zinc/52/29/49/1315522949.db2.gz WFIKYHQNELKOPE-LJQANCHMSA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268748 1315522951 /nfs/dbraw/zinc/52/29/51/1315522951.db2.gz WFIKYHQNELKOPE-LJQANCHMSA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268748 1315522955 /nfs/dbraw/zinc/52/29/55/1315522955.db2.gz WFIKYHQNELKOPE-LJQANCHMSA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136607 1315522928 /nfs/dbraw/zinc/52/29/28/1315522928.db2.gz BEBGUCYNQDGSLT-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136607 1315522930 /nfs/dbraw/zinc/52/29/30/1315522930.db2.gz BEBGUCYNQDGSLT-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136607 1315522932 /nfs/dbraw/zinc/52/29/32/1315522932.db2.gz BEBGUCYNQDGSLT-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140231 1315528189 /nfs/dbraw/zinc/52/81/89/1315528189.db2.gz RBAHEEMVYUPUAC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140231 1315528192 /nfs/dbraw/zinc/52/81/92/1315528192.db2.gz RBAHEEMVYUPUAC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140231 1315528196 /nfs/dbraw/zinc/52/81/96/1315528196.db2.gz RBAHEEMVYUPUAC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140908 1315529285 /nfs/dbraw/zinc/52/92/85/1315529285.db2.gz KOECVJLVUVPEFD-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140908 1315529293 /nfs/dbraw/zinc/52/92/93/1315529293.db2.gz KOECVJLVUVPEFD-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140908 1315529300 /nfs/dbraw/zinc/52/93/00/1315529300.db2.gz KOECVJLVUVPEFD-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140906 1315529780 /nfs/dbraw/zinc/52/97/80/1315529780.db2.gz KOECVJLVUVPEFD-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140906 1315529782 /nfs/dbraw/zinc/52/97/82/1315529782.db2.gz KOECVJLVUVPEFD-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140906 1315529783 /nfs/dbraw/zinc/52/97/83/1315529783.db2.gz KOECVJLVUVPEFD-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141009 1315531053 /nfs/dbraw/zinc/53/10/53/1315531053.db2.gz NAZAIVWWFGGHIH-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141009 1315531056 /nfs/dbraw/zinc/53/10/56/1315531056.db2.gz NAZAIVWWFGGHIH-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141009 1315531058 /nfs/dbraw/zinc/53/10/58/1315531058.db2.gz NAZAIVWWFGGHIH-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145125 1315538342 /nfs/dbraw/zinc/53/83/42/1315538342.db2.gz UMMLGESZICOHEN-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145125 1315538346 /nfs/dbraw/zinc/53/83/46/1315538346.db2.gz UMMLGESZICOHEN-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153121 1315547768 /nfs/dbraw/zinc/54/77/68/1315547768.db2.gz PMYADNBHJGWCDK-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153121 1315547772 /nfs/dbraw/zinc/54/77/72/1315547772.db2.gz PMYADNBHJGWCDK-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153121 1315547774 /nfs/dbraw/zinc/54/77/74/1315547774.db2.gz PMYADNBHJGWCDK-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562079 /nfs/dbraw/zinc/56/20/79/1315562079.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562082 /nfs/dbraw/zinc/56/20/82/1315562082.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562086 /nfs/dbraw/zinc/56/20/86/1315562086.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620659 1315564487 /nfs/dbraw/zinc/56/44/87/1315564487.db2.gz RAUHAWWUJWRAEF-IEBWSBKVSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620659 1315564490 /nfs/dbraw/zinc/56/44/90/1315564490.db2.gz RAUHAWWUJWRAEF-IEBWSBKVSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620659 1315564491 /nfs/dbraw/zinc/56/44/91/1315564491.db2.gz RAUHAWWUJWRAEF-IEBWSBKVSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643224 1315569673 /nfs/dbraw/zinc/56/96/73/1315569673.db2.gz VUVYDPQARSXLBR-GUDVDZBRSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181996 1315588934 /nfs/dbraw/zinc/58/89/34/1315588934.db2.gz GXBNUNQSFBESGC-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039181792 1315589206 /nfs/dbraw/zinc/58/92/06/1315589206.db2.gz BDHIJEHNFABWMQ-FQEVSTJZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001253577746 1315616413 /nfs/dbraw/zinc/61/64/13/1315616413.db2.gz PLPAVTPEUOOVPW-GOSISDBHSA-N 2 1 330.472 2.530 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214740 1315631775 /nfs/dbraw/zinc/63/17/75/1315631775.db2.gz QAVJONSSJCMNQG-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214740 1315631780 /nfs/dbraw/zinc/63/17/80/1315631780.db2.gz QAVJONSSJCMNQG-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3nccn32)C1 ZINC001039216683 1315635459 /nfs/dbraw/zinc/63/54/59/1315635459.db2.gz QOTPDOZFYGJJGG-IAGOWNOFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225741 1315646634 /nfs/dbraw/zinc/64/66/34/1315646634.db2.gz QVUIFXIQHRPQRI-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228591 1315650850 /nfs/dbraw/zinc/65/08/50/1315650850.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228591 1315650852 /nfs/dbraw/zinc/65/08/52/1315650852.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228591 1315650856 /nfs/dbraw/zinc/65/08/56/1315650856.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235512 1315659718 /nfs/dbraw/zinc/65/97/18/1315659718.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235512 1315659722 /nfs/dbraw/zinc/65/97/22/1315659722.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235512 1315659725 /nfs/dbraw/zinc/65/97/25/1315659725.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239934 1315666469 /nfs/dbraw/zinc/66/64/69/1315666469.db2.gz SKJFMQDKACPBSS-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240386 1315667458 /nfs/dbraw/zinc/66/74/58/1315667458.db2.gz VGDOLBLAIHMXQN-SJORKVTESA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240378 1315667573 /nfs/dbraw/zinc/66/75/73/1315667573.db2.gz VGDOLBLAIHMXQN-DLBZAZTESA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243830 1315672396 /nfs/dbraw/zinc/67/23/96/1315672396.db2.gz WMCSSRCCGQXAKK-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243708 1315672493 /nfs/dbraw/zinc/67/24/93/1315672493.db2.gz VWCPLCDERGOJOP-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039280907 1315700077 /nfs/dbraw/zinc/70/00/77/1315700077.db2.gz ROMYFDUQJAPUOZ-QBUWPKIASA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039288893 1315703395 /nfs/dbraw/zinc/70/33/95/1315703395.db2.gz JSRGTEKMFLZQLZ-FBVQUNGASA-N 2 1 342.487 2.838 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039298085 1315707248 /nfs/dbraw/zinc/70/72/48/1315707248.db2.gz JKKGVKXAHWNMPJ-MGNMYUMUSA-N 2 1 339.911 2.725 20 30 EFEDMP C[N@H+]1CCC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254506809 1315710930 /nfs/dbraw/zinc/71/09/30/1315710930.db2.gz ARYFWVYHYLWVDL-LJQANCHMSA-N 2 1 326.488 2.619 20 30 EFEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001254507646 1315712037 /nfs/dbraw/zinc/71/20/37/1315712037.db2.gz DWHZORDONLBRBH-IBGZPJMESA-N 2 1 326.488 2.597 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254516203 1315712483 /nfs/dbraw/zinc/71/24/83/1315712483.db2.gz KGVJNEKMDZTZEX-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254516203 1315712485 /nfs/dbraw/zinc/71/24/85/1315712485.db2.gz KGVJNEKMDZTZEX-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165312 1315746821 /nfs/dbraw/zinc/74/68/21/1315746821.db2.gz ZDBMPRQCXBXYAQ-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375098 1315747953 /nfs/dbraw/zinc/74/79/53/1315747953.db2.gz RHXPRXZCIBLTTA-SXLOBPIMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375098 1315747955 /nfs/dbraw/zinc/74/79/55/1315747955.db2.gz RHXPRXZCIBLTTA-SXLOBPIMSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375098 1315747957 /nfs/dbraw/zinc/74/79/57/1315747957.db2.gz RHXPRXZCIBLTTA-SXLOBPIMSA-N 2 1 345.531 2.892 20 30 EFEDMP C[NH+]1CCC(C#N)(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132951 1315779992 /nfs/dbraw/zinc/77/99/92/1315779992.db2.gz NTKMTAZVCKQOCE-OWZKRDHZSA-N 2 1 338.499 2.760 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563349 1315782671 /nfs/dbraw/zinc/78/26/71/1315782671.db2.gz JNXADGTVMRQZSS-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447863 1315797383 /nfs/dbraw/zinc/79/73/83/1315797383.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447863 1315797386 /nfs/dbraw/zinc/79/73/86/1315797386.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447863 1315797389 /nfs/dbraw/zinc/79/73/89/1315797389.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458143 1315805213 /nfs/dbraw/zinc/80/52/13/1315805213.db2.gz HPIZHTKHVQIFFP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458143 1315805216 /nfs/dbraw/zinc/80/52/16/1315805216.db2.gz HPIZHTKHVQIFFP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458143 1315805220 /nfs/dbraw/zinc/80/52/20/1315805220.db2.gz HPIZHTKHVQIFFP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039458447 1315805466 /nfs/dbraw/zinc/80/54/66/1315805466.db2.gz WFWLNISPOGRCBK-AABGKKOBSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458447 1315805469 /nfs/dbraw/zinc/80/54/69/1315805469.db2.gz WFWLNISPOGRCBK-AABGKKOBSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458447 1315805471 /nfs/dbraw/zinc/80/54/71/1315805471.db2.gz WFWLNISPOGRCBK-AABGKKOBSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458447 1315805473 /nfs/dbraw/zinc/80/54/73/1315805473.db2.gz WFWLNISPOGRCBK-AABGKKOBSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458142 1315805477 /nfs/dbraw/zinc/80/54/77/1315805477.db2.gz HPIZHTKHVQIFFP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458142 1315805480 /nfs/dbraw/zinc/80/54/80/1315805480.db2.gz HPIZHTKHVQIFFP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458142 1315805482 /nfs/dbraw/zinc/80/54/82/1315805482.db2.gz HPIZHTKHVQIFFP-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766531 1315809742 /nfs/dbraw/zinc/80/97/42/1315809742.db2.gz QHMWFUZCEWJIDT-IYBDPMFKSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255389307 1315815245 /nfs/dbraw/zinc/81/52/45/1315815245.db2.gz FLRRDRBJKJJZPR-UXHICEINSA-N 2 1 341.499 2.808 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474589 1315817307 /nfs/dbraw/zinc/81/73/07/1315817307.db2.gz PLMNZSSVBNSJDC-HSALFYBXSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474589 1315817312 /nfs/dbraw/zinc/81/73/12/1315817312.db2.gz PLMNZSSVBNSJDC-HSALFYBXSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H](C)CC[NH+](CC)CC)C2)CC1 ZINC001255957424 1315884368 /nfs/dbraw/zinc/88/43/68/1315884368.db2.gz RTUJWKOKFLZNMK-QGZVFWFLSA-N 2 1 337.508 2.827 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427863 1315945534 /nfs/dbraw/zinc/94/55/34/1315945534.db2.gz BWXHJSXQJMPGIV-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427863 1315945538 /nfs/dbraw/zinc/94/55/38/1315945538.db2.gz BWXHJSXQJMPGIV-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427863 1315945540 /nfs/dbraw/zinc/94/55/40/1315945540.db2.gz BWXHJSXQJMPGIV-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020090 1316021621 /nfs/dbraw/zinc/02/16/21/1316021621.db2.gz ZMLNOQMDYAZYOV-UHFFFAOYSA-N 2 1 340.515 2.764 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202105 1316140562 /nfs/dbraw/zinc/14/05/62/1316140562.db2.gz PRIGENCCCRXKSO-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202105 1316140564 /nfs/dbraw/zinc/14/05/64/1316140564.db2.gz PRIGENCCCRXKSO-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202105 1316140567 /nfs/dbraw/zinc/14/05/67/1316140567.db2.gz PRIGENCCCRXKSO-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP COC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362715 1316142943 /nfs/dbraw/zinc/14/29/43/1316142943.db2.gz ZORNVMMHWQZFEG-ATZDWAIDSA-N 2 1 343.471 2.972 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240774 1316160549 /nfs/dbraw/zinc/16/05/49/1316160549.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240774 1316160553 /nfs/dbraw/zinc/16/05/53/1316160553.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240774 1316160556 /nfs/dbraw/zinc/16/05/56/1316160556.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258727067 1316173410 /nfs/dbraw/zinc/17/34/10/1316173410.db2.gz BGDDXYVUIZZZMS-MRXNPFEDSA-N 2 1 332.492 2.644 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258727067 1316173412 /nfs/dbraw/zinc/17/34/12/1316173412.db2.gz BGDDXYVUIZZZMS-MRXNPFEDSA-N 2 1 332.492 2.644 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258727067 1316173414 /nfs/dbraw/zinc/17/34/14/1316173414.db2.gz BGDDXYVUIZZZMS-MRXNPFEDSA-N 2 1 332.492 2.644 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040265088 1316174027 /nfs/dbraw/zinc/17/40/27/1316174027.db2.gz VUPCGOYITXXEML-HXUWFJFHSA-N 2 1 336.439 2.514 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730306 1316174199 /nfs/dbraw/zinc/17/41/99/1316174199.db2.gz DQOBYYCXWSSWMV-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730306 1316174200 /nfs/dbraw/zinc/17/42/00/1316174200.db2.gz DQOBYYCXWSSWMV-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730306 1316174202 /nfs/dbraw/zinc/17/42/02/1316174202.db2.gz DQOBYYCXWSSWMV-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730153 1316174388 /nfs/dbraw/zinc/17/43/88/1316174388.db2.gz BJSMJDOQNGFTTO-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730153 1316174391 /nfs/dbraw/zinc/17/43/91/1316174391.db2.gz BJSMJDOQNGFTTO-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730153 1316174393 /nfs/dbraw/zinc/17/43/93/1316174393.db2.gz BJSMJDOQNGFTTO-MISYRCLQSA-N 2 1 329.488 2.959 20 30 EFEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177850 /nfs/dbraw/zinc/17/78/50/1316177850.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177852 /nfs/dbraw/zinc/17/78/52/1316177852.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177854 /nfs/dbraw/zinc/17/78/54/1316177854.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313785 1316198008 /nfs/dbraw/zinc/19/80/08/1316198008.db2.gz MWVNWPUFDXAOBV-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355351 1316218656 /nfs/dbraw/zinc/21/86/56/1316218656.db2.gz AVVBPOPTRLTUES-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355351 1316218659 /nfs/dbraw/zinc/21/86/59/1316218659.db2.gz AVVBPOPTRLTUES-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355351 1316218663 /nfs/dbraw/zinc/21/86/63/1316218663.db2.gz AVVBPOPTRLTUES-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422712 1316255659 /nfs/dbraw/zinc/25/56/59/1316255659.db2.gz NRRVDSFANQBHQT-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040422712 1316255662 /nfs/dbraw/zinc/25/56/62/1316255662.db2.gz NRRVDSFANQBHQT-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432259 1316262229 /nfs/dbraw/zinc/26/22/29/1316262229.db2.gz NNKAAKLCUPJXKH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432259 1316262232 /nfs/dbraw/zinc/26/22/32/1316262232.db2.gz NNKAAKLCUPJXKH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432259 1316262234 /nfs/dbraw/zinc/26/22/34/1316262234.db2.gz NNKAAKLCUPJXKH-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040451212 1316274027 /nfs/dbraw/zinc/27/40/27/1316274027.db2.gz CBAOXFKCNYVBIG-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542694 1316315449 /nfs/dbraw/zinc/31/54/49/1316315449.db2.gz COAHWQIAEUYDFP-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545435 1316317030 /nfs/dbraw/zinc/31/70/30/1316317030.db2.gz QBUVWVIWBKFBES-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040702734 1316354985 /nfs/dbraw/zinc/35/49/85/1316354985.db2.gz YIQQLWXQDWMNQD-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109772 1316358953 /nfs/dbraw/zinc/35/89/53/1316358953.db2.gz MNXGODAIPWZLHR-IAGOWNOFSA-N 2 1 345.487 2.727 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746661 1316365304 /nfs/dbraw/zinc/36/53/04/1316365304.db2.gz GBVIFEOQOCGPPC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746143 1316365574 /nfs/dbraw/zinc/36/55/74/1316365574.db2.gz WJTVNJLBHSEPKJ-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846475 1316387827 /nfs/dbraw/zinc/38/78/27/1316387827.db2.gz BSMYJAZAPXEMCM-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874125 1316393877 /nfs/dbraw/zinc/39/38/77/1316393877.db2.gz CTFFSELEWIWCOV-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040874932 1316394596 /nfs/dbraw/zinc/39/45/96/1316394596.db2.gz NBSYCKSJLCDTHO-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882552 1316397008 /nfs/dbraw/zinc/39/70/08/1316397008.db2.gz FSIULVUWDZISFK-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300983 1316507108 /nfs/dbraw/zinc/50/71/08/1316507108.db2.gz KYOUMORXCJWLDM-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300983 1316507109 /nfs/dbraw/zinc/50/71/09/1316507109.db2.gz KYOUMORXCJWLDM-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371085 1316530755 /nfs/dbraw/zinc/53/07/55/1316530755.db2.gz KCGGVEVCDAUKLL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371085 1316530758 /nfs/dbraw/zinc/53/07/58/1316530758.db2.gz KCGGVEVCDAUKLL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371085 1316530761 /nfs/dbraw/zinc/53/07/61/1316530761.db2.gz KCGGVEVCDAUKLL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421867 1316547923 /nfs/dbraw/zinc/54/79/23/1316547923.db2.gz KPXRUWUGMCYCKV-HXUWFJFHSA-N 2 1 338.455 2.757 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424473 1316549003 /nfs/dbraw/zinc/54/90/03/1316549003.db2.gz LGRDHAISMDYTDG-FQEVSTJZSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041424368 1316548966 /nfs/dbraw/zinc/54/89/66/1316548966.db2.gz ZRVPPPCBTBSYKH-FQEVSTJZSA-N 2 1 338.455 2.757 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424473 1316549001 /nfs/dbraw/zinc/54/90/01/1316549001.db2.gz LGRDHAISMDYTDG-FQEVSTJZSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424473 1316549005 /nfs/dbraw/zinc/54/90/05/1316549005.db2.gz LGRDHAISMDYTDG-FQEVSTJZSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041444628 1316553459 /nfs/dbraw/zinc/55/34/59/1316553459.db2.gz CTTCVCGPKQUHQM-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723424 1316665417 /nfs/dbraw/zinc/66/54/17/1316665417.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723424 1316665420 /nfs/dbraw/zinc/66/54/20/1316665420.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723424 1316665423 /nfs/dbraw/zinc/66/54/23/1316665423.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778697 1316694123 /nfs/dbraw/zinc/69/41/23/1316694123.db2.gz DYXYDVDZZCHWFT-SFTDATJTSA-N 2 1 341.499 2.574 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845943 1316732189 /nfs/dbraw/zinc/73/21/89/1316732189.db2.gz SRECMZYJRPSNLK-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114836 1316887902 /nfs/dbraw/zinc/88/79/02/1316887902.db2.gz OZOMROIZRYMPGX-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894706 /nfs/dbraw/zinc/89/47/06/1316894706.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894709 /nfs/dbraw/zinc/89/47/09/1316894709.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894713 /nfs/dbraw/zinc/89/47/13/1316894713.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896731 /nfs/dbraw/zinc/89/67/31/1316896731.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896734 /nfs/dbraw/zinc/89/67/34/1316896734.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896737 /nfs/dbraw/zinc/89/67/37/1316896737.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234207 1316997132 /nfs/dbraw/zinc/99/71/32/1316997132.db2.gz LBJHJQMQLLXYMC-QUCCMNQESA-N 2 1 341.499 2.513 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252820 1317036478 /nfs/dbraw/zinc/03/64/78/1317036478.db2.gz NTRKCAZDRIXJPW-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252820 1317036486 /nfs/dbraw/zinc/03/64/86/1317036486.db2.gz NTRKCAZDRIXJPW-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254279 1317039692 /nfs/dbraw/zinc/03/96/92/1317039692.db2.gz JUUXUFOYRZWBDK-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254279 1317039700 /nfs/dbraw/zinc/03/97/00/1317039700.db2.gz JUUXUFOYRZWBDK-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268680 1317066039 /nfs/dbraw/zinc/06/60/39/1317066039.db2.gz FJZYZSGZAIBICJ-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042307888 1317128337 /nfs/dbraw/zinc/12/83/37/1317128337.db2.gz QEHBEYCSXVQXJV-ICSRJNTNSA-N 2 1 345.531 2.607 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203150 /nfs/dbraw/zinc/20/31/50/1317203150.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203156 /nfs/dbraw/zinc/20/31/56/1317203156.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 2 1 349.482 2.636 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203163 /nfs/dbraw/zinc/20/31/63/1317203163.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 2 1 349.482 2.636 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368124 1317223268 /nfs/dbraw/zinc/22/32/68/1317223268.db2.gz ODHCINKOBPYDJU-FXAWDEMLSA-N 2 1 341.499 2.861 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229889 /nfs/dbraw/zinc/22/98/89/1317229889.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229897 /nfs/dbraw/zinc/22/98/97/1317229897.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229901 /nfs/dbraw/zinc/22/99/01/1317229901.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP C#Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229906 /nfs/dbraw/zinc/22/99/06/1317229906.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 2 1 348.494 2.853 20 30 EFEDMP Cc1ccc(NCCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)[nH+]c1 ZINC001326597223 1330324378 /nfs/dbraw/zinc/32/43/78/1330324378.db2.gz AFJROAYKJIQTFL-UHFFFAOYSA-N 2 1 337.427 2.682 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001335986081 1331424217 /nfs/dbraw/zinc/42/42/17/1331424217.db2.gz JBOYOKWLVVYJOO-JOCHJYFZSA-N 2 1 336.479 2.821 20 30 EFEDMP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001343664878 1332367770 /nfs/dbraw/zinc/36/77/70/1332367770.db2.gz GACHCGATPYWJFW-ROUUACIJSA-N 2 1 332.492 2.632 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751928 1333440580 /nfs/dbraw/zinc/44/05/80/1333440580.db2.gz PEVUBFFRBCEEAK-KRWDZBQOSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751928 1333440581 /nfs/dbraw/zinc/44/05/81/1333440581.db2.gz PEVUBFFRBCEEAK-KRWDZBQOSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771259 1333464855 /nfs/dbraw/zinc/46/48/55/1333464855.db2.gz BWMYIXQSIMAOPH-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513890 1334184462 /nfs/dbraw/zinc/18/44/62/1334184462.db2.gz SSUDYXUSYGQNLB-KLAILNCOSA-N 2 1 344.503 2.601 20 30 EFEDMP CN(C)CC[N@H+](C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849081490 1335071939 /nfs/dbraw/zinc/07/19/39/1335071939.db2.gz BDARWQRJWCSDII-UHFFFAOYSA-N 2 1 345.535 2.824 20 30 EFEDMP CN(C)CC[N@@H+](C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849081490 1335071942 /nfs/dbraw/zinc/07/19/42/1335071942.db2.gz BDARWQRJWCSDII-UHFFFAOYSA-N 2 1 345.535 2.824 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001357351046 1335304114 /nfs/dbraw/zinc/30/41/14/1335304114.db2.gz MVFPZMNGILMVCG-LJQANCHMSA-N 2 1 329.488 2.713 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366850779 1338117323 /nfs/dbraw/zinc/11/73/23/1338117323.db2.gz FTTAALJFUHURHN-QGZVFWFLSA-N 2 1 341.927 2.833 20 30 EFEDMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001367128777 1338417373 /nfs/dbraw/zinc/41/73/73/1338417373.db2.gz RHHMWADRTKGTDR-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001368777491 1339703740 /nfs/dbraw/zinc/70/37/40/1339703740.db2.gz WUIXMHBDVVNTRY-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001370491439 1340100731 /nfs/dbraw/zinc/10/07/31/1340100731.db2.gz GCBFZHHKCXONJV-SHTZXODSSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001392011835 1355713277 /nfs/dbraw/zinc/71/32/77/1355713277.db2.gz ZDKRFRHNDLJAKC-HNNXBMFYSA-N 2 1 327.900 2.632 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001374403020 1341868075 /nfs/dbraw/zinc/86/80/75/1341868075.db2.gz DEWUBBZWNFYGOK-KRWDZBQOSA-N 2 1 343.943 2.886 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001377671110 1344299084 /nfs/dbraw/zinc/29/90/84/1344299084.db2.gz BSTAAIJOLGQCGS-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671110 1344299087 /nfs/dbraw/zinc/29/90/87/1344299087.db2.gz BSTAAIJOLGQCGS-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671110 1344299090 /nfs/dbraw/zinc/29/90/90/1344299090.db2.gz BSTAAIJOLGQCGS-IAGOWNOFSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001377785956 1344437065 /nfs/dbraw/zinc/43/70/65/1344437065.db2.gz RPLJLZWCYZKPHD-GOSISDBHSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001377785956 1344437068 /nfs/dbraw/zinc/43/70/68/1344437068.db2.gz RPLJLZWCYZKPHD-GOSISDBHSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001377785956 1344437069 /nfs/dbraw/zinc/43/70/69/1344437069.db2.gz RPLJLZWCYZKPHD-GOSISDBHSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001377785956 1344437073 /nfs/dbraw/zinc/43/70/73/1344437073.db2.gz RPLJLZWCYZKPHD-GOSISDBHSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001377947048 1344606967 /nfs/dbraw/zinc/60/69/67/1344606967.db2.gz HVQZYBBTCVEUAI-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001377963546 1344620245 /nfs/dbraw/zinc/62/02/45/1344620245.db2.gz VXDOZSYIAXSVNE-UHFFFAOYSA-N 2 1 331.932 2.791 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001380179969 1347552985 /nfs/dbraw/zinc/55/29/85/1347552985.db2.gz JNEDYEWUUAZPIN-ALOPSCKCSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001380967404 1347990787 /nfs/dbraw/zinc/99/07/87/1347990787.db2.gz CHOROVLUWSPAHN-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001380967404 1347990792 /nfs/dbraw/zinc/99/07/92/1347990792.db2.gz CHOROVLUWSPAHN-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001380967404 1347990796 /nfs/dbraw/zinc/99/07/96/1347990796.db2.gz CHOROVLUWSPAHN-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001380967404 1347990801 /nfs/dbraw/zinc/99/08/01/1347990801.db2.gz CHOROVLUWSPAHN-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001390616188 1354212141 /nfs/dbraw/zinc/21/21/41/1354212141.db2.gz QAKNJFAFYRCXSX-CABCVRRESA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676410 1387279500 /nfs/dbraw/zinc/27/95/00/1387279500.db2.gz XFVZUJSAZSEZGJ-JKSUJKDBSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001399280390 1361120020 /nfs/dbraw/zinc/12/00/20/1361120020.db2.gz CXEVMRWPGYNQEN-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001399280390 1361120021 /nfs/dbraw/zinc/12/00/21/1361120021.db2.gz CXEVMRWPGYNQEN-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001399280390 1361120023 /nfs/dbraw/zinc/12/00/23/1361120023.db2.gz CXEVMRWPGYNQEN-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001399280390 1361120024 /nfs/dbraw/zinc/12/00/24/1361120024.db2.gz CXEVMRWPGYNQEN-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437357704 1387578721 /nfs/dbraw/zinc/57/87/21/1387578721.db2.gz MQIQYEJAZYQONA-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437357704 1387578725 /nfs/dbraw/zinc/57/87/25/1387578725.db2.gz MQIQYEJAZYQONA-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001401297681 1362644469 /nfs/dbraw/zinc/64/44/69/1362644469.db2.gz PFFXUMZXNOPRAQ-JKSUJKDBSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001401302032 1362647340 /nfs/dbraw/zinc/64/73/40/1362647340.db2.gz VKLAASNQFMKFKS-HIFRSBDPSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001402638918 1363870007 /nfs/dbraw/zinc/87/00/07/1363870007.db2.gz SJZRENBSDXVNKT-UHFFFAOYSA-N 2 1 334.851 2.789 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001402638918 1363870009 /nfs/dbraw/zinc/87/00/09/1363870009.db2.gz SJZRENBSDXVNKT-UHFFFAOYSA-N 2 1 334.851 2.789 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1CC ZINC001406809123 1368083057 /nfs/dbraw/zinc/08/30/57/1368083057.db2.gz OAQNDEKGNHPWDV-HZPDHXFCSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001407552467 1368976306 /nfs/dbraw/zinc/97/63/06/1368976306.db2.gz UCPFFCXVPAXPOG-HUUCEWRRSA-N 2 1 329.916 2.543 20 30 EFEDMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336827 1388516772 /nfs/dbraw/zinc/51/67/72/1388516772.db2.gz PNRACUDIXGZLKH-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001421286941 1378435286 /nfs/dbraw/zinc/43/52/86/1378435286.db2.gz SQGNXBMCIBNMFY-SFHVURJKSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001421286941 1378435274 /nfs/dbraw/zinc/43/52/74/1378435274.db2.gz SQGNXBMCIBNMFY-SFHVURJKSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001421286941 1378435280 /nfs/dbraw/zinc/43/52/80/1378435280.db2.gz SQGNXBMCIBNMFY-SFHVURJKSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001421286941 1378435284 /nfs/dbraw/zinc/43/52/84/1378435284.db2.gz SQGNXBMCIBNMFY-SFHVURJKSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001422698838 1380627198 /nfs/dbraw/zinc/62/71/98/1380627198.db2.gz HTAXSAIQLFFMBZ-QGZVFWFLSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001422698838 1380627218 /nfs/dbraw/zinc/62/72/18/1380627218.db2.gz HTAXSAIQLFFMBZ-QGZVFWFLSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001440617013 1389776310 /nfs/dbraw/zinc/77/63/10/1389776310.db2.gz CRCFYOVRGLSCQJ-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001440617013 1389776319 /nfs/dbraw/zinc/77/63/19/1389776319.db2.gz CRCFYOVRGLSCQJ-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001441386912 1391276510 /nfs/dbraw/zinc/27/65/10/1391276510.db2.gz OAEDQUOCMFRSRF-INIZCTEOSA-N 2 1 329.916 2.782 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001493846392 1398919053 /nfs/dbraw/zinc/91/90/53/1398919053.db2.gz FTUBQPBCYSIFBW-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001493896903 1398962235 /nfs/dbraw/zinc/96/22/35/1398962235.db2.gz NNDXWPABXSWBBD-MRXNPFEDSA-N 2 1 335.879 2.528 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001502381717 1404121184 /nfs/dbraw/zinc/12/11/84/1404121184.db2.gz FBFDUANVTFAJKJ-UHFFFAOYSA-N 2 1 337.895 2.895 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001502381717 1404121188 /nfs/dbraw/zinc/12/11/88/1404121188.db2.gz FBFDUANVTFAJKJ-UHFFFAOYSA-N 2 1 337.895 2.895 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001503763947 1404507858 /nfs/dbraw/zinc/50/78/58/1404507858.db2.gz KFZZTRKIRRPOMD-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672242 1415724731 /nfs/dbraw/zinc/72/47/31/1415724731.db2.gz OPOYJLVQZQBGFB-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672242 1415724735 /nfs/dbraw/zinc/72/47/35/1415724735.db2.gz OPOYJLVQZQBGFB-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001716808111 1419022234 /nfs/dbraw/zinc/02/22/34/1419022234.db2.gz JSJMIWVKZIKFEE-HXUWFJFHSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001724779494 1425007054 /nfs/dbraw/zinc/00/70/54/1425007054.db2.gz ZXUPNIUYCODQRW-QGZVFWFLSA-N 2 1 332.492 2.943 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)C)CC1 ZINC000969155978 712942564 /nfs/dbraw/zinc/94/25/64/712942564.db2.gz GKSQZWNRIBHDBL-FQEVSTJZSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156478 712945233 /nfs/dbraw/zinc/94/52/33/712945233.db2.gz UCSGVZASTXMTEC-IBGZPJMESA-N 2 1 341.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969834337 713275891 /nfs/dbraw/zinc/27/58/91/713275891.db2.gz XVBWMEFVNPDOJD-LPHOPBHVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326000 713635843 /nfs/dbraw/zinc/63/58/43/713635843.db2.gz LWQXDMSEVXYMOU-VQIMIIECSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723518 717923755 /nfs/dbraw/zinc/92/37/55/717923755.db2.gz WGQZWVGEHGQBJD-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557204 717936550 /nfs/dbraw/zinc/93/65/50/717936550.db2.gz OFCZQYCSAARNQZ-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700437 714333175 /nfs/dbraw/zinc/33/31/75/714333175.db2.gz PVIQCSWXGHIBSG-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706768 714345926 /nfs/dbraw/zinc/34/59/26/714345926.db2.gz OVKPDYKCAZENCB-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706765 714346089 /nfs/dbraw/zinc/34/60/89/714346089.db2.gz OVKPDYKCAZENCB-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738904 714401168 /nfs/dbraw/zinc/40/11/68/714401168.db2.gz DSDJUMCBRVREQP-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541077 714700478 /nfs/dbraw/zinc/70/04/78/714700478.db2.gz VABGMHHYKCDOLH-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541077 714700480 /nfs/dbraw/zinc/70/04/80/714700480.db2.gz VABGMHHYKCDOLH-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681597 714879316 /nfs/dbraw/zinc/87/93/16/714879316.db2.gz FOEKCCXIIAVUFK-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681597 714879317 /nfs/dbraw/zinc/87/93/17/714879317.db2.gz FOEKCCXIIAVUFK-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681597 714879318 /nfs/dbraw/zinc/87/93/18/714879318.db2.gz FOEKCCXIIAVUFK-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681597 714879319 /nfs/dbraw/zinc/87/93/19/714879319.db2.gz FOEKCCXIIAVUFK-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615449 718028163 /nfs/dbraw/zinc/02/81/63/718028163.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368109 715299507 /nfs/dbraw/zinc/29/95/07/715299507.db2.gz NUPRFDWDMPEFLF-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368109 715299509 /nfs/dbraw/zinc/29/95/09/715299509.db2.gz NUPRFDWDMPEFLF-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979409 715394150 /nfs/dbraw/zinc/39/41/50/715394150.db2.gz VNWINOZSZKRBNJ-MRXNPFEDSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979409 715394157 /nfs/dbraw/zinc/39/41/57/715394157.db2.gz VNWINOZSZKRBNJ-MRXNPFEDSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158020 715450963 /nfs/dbraw/zinc/45/09/63/715450963.db2.gz JJCKBOKHAYFXFT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972158020 715450968 /nfs/dbraw/zinc/45/09/68/715450968.db2.gz JJCKBOKHAYFXFT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972158020 715450975 /nfs/dbraw/zinc/45/09/75/715450975.db2.gz JJCKBOKHAYFXFT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443417 715817175 /nfs/dbraw/zinc/81/71/75/715817175.db2.gz LSOLQHUPCCVBFW-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027443417 715817180 /nfs/dbraw/zinc/81/71/80/715817180.db2.gz LSOLQHUPCCVBFW-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027443417 715817185 /nfs/dbraw/zinc/81/71/85/715817185.db2.gz LSOLQHUPCCVBFW-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507060 716108928 /nfs/dbraw/zinc/10/89/28/716108928.db2.gz HEUPMRMNFJVQIV-IBGZPJMESA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977430967 716215220 /nfs/dbraw/zinc/21/52/20/716215220.db2.gz BJMOMWBWRCNDIH-LJQANCHMSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977430965 716215267 /nfs/dbraw/zinc/21/52/67/716215267.db2.gz BJMOMWBWRCNDIH-IBGZPJMESA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977440479 716236445 /nfs/dbraw/zinc/23/64/45/716236445.db2.gz PUTYHJXVQIFLIJ-GOSISDBHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409976 716430194 /nfs/dbraw/zinc/43/01/94/716430194.db2.gz KHKRIQYFQCIYSE-MOPGFXCFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409976 716430201 /nfs/dbraw/zinc/43/02/01/716430201.db2.gz KHKRIQYFQCIYSE-MOPGFXCFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409976 716430204 /nfs/dbraw/zinc/43/02/04/716430204.db2.gz KHKRIQYFQCIYSE-MOPGFXCFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641529 716433718 /nfs/dbraw/zinc/43/37/18/716433718.db2.gz NXFAOYQTHXMATD-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556751 716478360 /nfs/dbraw/zinc/47/83/60/716478360.db2.gz SWIXZFSSGFWFLL-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556751 716478365 /nfs/dbraw/zinc/47/83/65/716478365.db2.gz SWIXZFSSGFWFLL-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454359 716489456 /nfs/dbraw/zinc/48/94/56/716489456.db2.gz SZEIZNQCNFGCFH-MRXNPFEDSA-N 2 1 326.444 2.661 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456877 716492486 /nfs/dbraw/zinc/49/24/86/716492486.db2.gz BCBSERXKYFOTOP-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456877 716492490 /nfs/dbraw/zinc/49/24/90/716492490.db2.gz BCBSERXKYFOTOP-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456877 716492493 /nfs/dbraw/zinc/49/24/93/716492493.db2.gz BCBSERXKYFOTOP-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692264 716539481 /nfs/dbraw/zinc/53/94/81/716539481.db2.gz DKTKGIKSDPBJAK-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694573 716549773 /nfs/dbraw/zinc/54/97/73/716549773.db2.gz CUQTWIJYVLWIDT-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552724 716616579 /nfs/dbraw/zinc/61/65/79/716616579.db2.gz MBILSASEZJRMKZ-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552724 716616584 /nfs/dbraw/zinc/61/65/84/716616584.db2.gz MBILSASEZJRMKZ-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552724 716616589 /nfs/dbraw/zinc/61/65/89/716616589.db2.gz MBILSASEZJRMKZ-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557548 716619265 /nfs/dbraw/zinc/61/92/65/716619265.db2.gz ZNXJRTPZHKXGSV-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557548 716619267 /nfs/dbraw/zinc/61/92/67/716619267.db2.gz ZNXJRTPZHKXGSV-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557548 716619269 /nfs/dbraw/zinc/61/92/69/716619269.db2.gz ZNXJRTPZHKXGSV-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027574346 716694298 /nfs/dbraw/zinc/69/42/98/716694298.db2.gz PURSEANHGIQAMX-HXUWFJFHSA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695179 716834831 /nfs/dbraw/zinc/83/48/31/716834831.db2.gz XTFLPJQSAIKICJ-SFHVURJKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023706951 716845785 /nfs/dbraw/zinc/84/57/85/716845785.db2.gz DSCWPMYZFWPXSP-INIZCTEOSA-N 2 1 330.476 2.556 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023706951 716845789 /nfs/dbraw/zinc/84/57/89/716845789.db2.gz DSCWPMYZFWPXSP-INIZCTEOSA-N 2 1 330.476 2.556 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)cnc4c3)[C@@H]2C1 ZINC000978169345 716867394 /nfs/dbraw/zinc/86/73/94/716867394.db2.gz UZCHDFMBLNHSMP-NNZMDNLPSA-N 2 1 338.455 2.517 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001023760448 716973199 /nfs/dbraw/zinc/97/31/99/716973199.db2.gz WJHIJDZBOBRKQN-IBGZPJMESA-N 2 1 347.547 2.596 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761541 716973907 /nfs/dbraw/zinc/97/39/07/716973907.db2.gz CDEQZSQDZYZDKX-KRWDZBQOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761541 716973911 /nfs/dbraw/zinc/97/39/11/716973911.db2.gz CDEQZSQDZYZDKX-KRWDZBQOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761703 716974558 /nfs/dbraw/zinc/97/45/58/716974558.db2.gz HAYNVQAIAUTAID-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770467 716991124 /nfs/dbraw/zinc/99/11/24/716991124.db2.gz ZYNJSCAJROMFPT-MRXNPFEDSA-N 2 1 333.476 2.749 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614918 717018543 /nfs/dbraw/zinc/01/85/43/717018543.db2.gz ILANUIDUDLZIFO-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC000979781287 717426524 /nfs/dbraw/zinc/42/65/24/717426524.db2.gz YMCAJWYNQVJZDW-UAGQMJEPSA-N 2 1 347.528 2.826 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985472803 724445701 /nfs/dbraw/zinc/44/57/01/724445701.db2.gz JHKIZBTVMAIKCN-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985472803 724445702 /nfs/dbraw/zinc/44/57/02/724445702.db2.gz JHKIZBTVMAIKCN-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980002390 717654733 /nfs/dbraw/zinc/65/47/33/717654733.db2.gz QPIDUQUIHOPJAJ-GBESFXJTSA-N 2 1 345.531 2.655 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440374 717739309 /nfs/dbraw/zinc/73/93/09/717739309.db2.gz ORJADLVMIXAOJD-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980140181 717784118 /nfs/dbraw/zinc/78/41/18/717784118.db2.gz JZWGNOZWULDECT-RCCFBDPRSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141502 717786444 /nfs/dbraw/zinc/78/64/44/717786444.db2.gz BLQWXPBQLQKUGL-BZSNNMDCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141502 717786448 /nfs/dbraw/zinc/78/64/48/717786448.db2.gz BLQWXPBQLQKUGL-BZSNNMDCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141502 717786451 /nfs/dbraw/zinc/78/64/51/717786451.db2.gz BLQWXPBQLQKUGL-BZSNNMDCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141507 717786529 /nfs/dbraw/zinc/78/65/29/717786529.db2.gz BLQWXPBQLQKUGL-KSZLIROESA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141507 717786531 /nfs/dbraw/zinc/78/65/31/717786531.db2.gz BLQWXPBQLQKUGL-KSZLIROESA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141507 717786533 /nfs/dbraw/zinc/78/65/33/717786533.db2.gz BLQWXPBQLQKUGL-KSZLIROESA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980152221 717802439 /nfs/dbraw/zinc/80/24/39/717802439.db2.gz WUXKQYPRIZHJFQ-CGTJXYLNSA-N 2 1 338.455 2.741 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980166095 717830449 /nfs/dbraw/zinc/83/04/49/717830449.db2.gz DVHNZUOASPZKFB-KSZLIROESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885571 717832223 /nfs/dbraw/zinc/83/22/23/717832223.db2.gz HEXZKUKIACAJKN-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885571 717832228 /nfs/dbraw/zinc/83/22/28/717832228.db2.gz HEXZKUKIACAJKN-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885571 717832233 /nfs/dbraw/zinc/83/22/33/717832233.db2.gz HEXZKUKIACAJKN-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187961 717876647 /nfs/dbraw/zinc/87/66/47/717876647.db2.gz KWKZOGUOGWTGLL-FHWLQOOXSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980190743 717881956 /nfs/dbraw/zinc/88/19/56/717881956.db2.gz YUTIIFOOBAORMS-SLFFLAALSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722907 717884523 /nfs/dbraw/zinc/88/45/23/717884523.db2.gz NBPHYXCLWYVNGW-QFBILLFUSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647748 718055251 /nfs/dbraw/zinc/05/52/51/718055251.db2.gz UACFBYRAENNHOM-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647748 718055252 /nfs/dbraw/zinc/05/52/52/718055252.db2.gz UACFBYRAENNHOM-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751849 718135009 /nfs/dbraw/zinc/13/50/09/718135009.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751849 718135010 /nfs/dbraw/zinc/13/50/10/718135010.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751849 718135013 /nfs/dbraw/zinc/13/50/13/718135013.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024752169 718138273 /nfs/dbraw/zinc/13/82/73/718138273.db2.gz QGHPZPYYEYVFKF-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024752169 718138275 /nfs/dbraw/zinc/13/82/75/718138275.db2.gz QGHPZPYYEYVFKF-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024752169 718138277 /nfs/dbraw/zinc/13/82/77/718138277.db2.gz QGHPZPYYEYVFKF-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024752169 718138278 /nfs/dbraw/zinc/13/82/78/718138278.db2.gz QGHPZPYYEYVFKF-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CCOCCC[N@H+]1CCC(=Nn2cc(Br)cn2)[C@H](C)C1 ZINC000752743720 725443640 /nfs/dbraw/zinc/44/36/40/725443640.db2.gz XJNKDVMZKLCDIM-GFCCVEGCSA-N 2 1 343.269 2.618 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240035 718459600 /nfs/dbraw/zinc/45/96/00/718459600.db2.gz KMVCAMHOVQNWRR-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259651 718476323 /nfs/dbraw/zinc/47/63/23/718476323.db2.gz SKYCNEACMLWMMI-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045654 718494315 /nfs/dbraw/zinc/49/43/15/718494315.db2.gz NSYYDBOOISISPI-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275236 718513256 /nfs/dbraw/zinc/51/32/56/718513256.db2.gz VAQMERSIKLTECL-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279641 718517482 /nfs/dbraw/zinc/51/74/82/718517482.db2.gz FOYPBIXFQPYNOU-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281452 718520026 /nfs/dbraw/zinc/52/00/26/718520026.db2.gz VGYGAXTZYOAKHM-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025297185 718544122 /nfs/dbraw/zinc/54/41/22/718544122.db2.gz XTTDNOPUEKTSEZ-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301650 718547337 /nfs/dbraw/zinc/54/73/37/718547337.db2.gz NSGKFBDLMXPJMZ-VQTJNVASSA-N 2 1 345.531 2.731 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420373 718799284 /nfs/dbraw/zinc/79/92/84/718799284.db2.gz AWHMVICDFJDRAN-NVXWUHKLSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985518411 724535806 /nfs/dbraw/zinc/53/58/06/724535806.db2.gz LOXCXOJJWVVANB-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985518411 724535807 /nfs/dbraw/zinc/53/58/07/724535807.db2.gz LOXCXOJJWVVANB-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985518411 724535808 /nfs/dbraw/zinc/53/58/08/724535808.db2.gz LOXCXOJJWVVANB-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687170 718943037 /nfs/dbraw/zinc/94/30/37/718943037.db2.gz IVYSWFGBEHUMKV-UHFFFAOYSA-N 2 1 329.488 2.515 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486368 719001253 /nfs/dbraw/zinc/00/12/53/719001253.db2.gz UBYDGPQSUKUTRV-JKSUJKDBSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516284 719052898 /nfs/dbraw/zinc/05/28/98/719052898.db2.gz RCHYWTKQHSOEQE-HZPDHXFCSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842717 719120495 /nfs/dbraw/zinc/12/04/95/719120495.db2.gz JLHJRQJKJSKCOE-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842717 719120496 /nfs/dbraw/zinc/12/04/96/719120496.db2.gz JLHJRQJKJSKCOE-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842717 719120497 /nfs/dbraw/zinc/12/04/97/719120497.db2.gz JLHJRQJKJSKCOE-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842720 719120824 /nfs/dbraw/zinc/12/08/24/719120824.db2.gz JLHJRQJKJSKCOE-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000981842720 719120828 /nfs/dbraw/zinc/12/08/28/719120828.db2.gz JLHJRQJKJSKCOE-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981842720 719120830 /nfs/dbraw/zinc/12/08/30/719120830.db2.gz JLHJRQJKJSKCOE-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865357 719143628 /nfs/dbraw/zinc/14/36/28/719143628.db2.gz QNEUCCPDFWSBKQ-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865357 719143630 /nfs/dbraw/zinc/14/36/30/719143630.db2.gz QNEUCCPDFWSBKQ-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865357 719143631 /nfs/dbraw/zinc/14/36/31/719143631.db2.gz QNEUCCPDFWSBKQ-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472898 719178984 /nfs/dbraw/zinc/17/89/84/719178984.db2.gz OTYGNCVGOHOHJC-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472898 719178986 /nfs/dbraw/zinc/17/89/86/719178986.db2.gz OTYGNCVGOHOHJC-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472898 719178987 /nfs/dbraw/zinc/17/89/87/719178987.db2.gz OTYGNCVGOHOHJC-SESVDKBCSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593865 719190105 /nfs/dbraw/zinc/19/01/05/719190105.db2.gz WLDCYIGSFZBFTR-YLJYHZDGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598255 719200278 /nfs/dbraw/zinc/20/02/78/719200278.db2.gz XKUHWOHAAZRTFV-IAGOWNOFSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598255 719200279 /nfs/dbraw/zinc/20/02/79/719200279.db2.gz XKUHWOHAAZRTFV-IAGOWNOFSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598254 719200290 /nfs/dbraw/zinc/20/02/90/719200290.db2.gz XKUHWOHAAZRTFV-DLBZAZTESA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598254 719200292 /nfs/dbraw/zinc/20/02/92/719200292.db2.gz XKUHWOHAAZRTFV-DLBZAZTESA-N 2 1 344.503 2.944 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627677 719248755 /nfs/dbraw/zinc/24/87/55/719248755.db2.gz AWVSEDNQSOKNPZ-AZUAARDMSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628862 719251779 /nfs/dbraw/zinc/25/17/79/719251779.db2.gz XIGXUJGXPRSLLG-YLJYHZDGSA-N 2 1 341.499 2.602 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630942 719258757 /nfs/dbraw/zinc/25/87/57/719258757.db2.gz XDEVIKGXTILSIX-ZWKOTPCHSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631002 719258987 /nfs/dbraw/zinc/25/89/87/719258987.db2.gz YCRLWTGKXMZMBU-SJORKVTESA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203505 719456475 /nfs/dbraw/zinc/45/64/75/719456475.db2.gz VWSUUDFIQLKQEQ-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052438 719507102 /nfs/dbraw/zinc/50/71/02/719507102.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052438 719507107 /nfs/dbraw/zinc/50/71/07/719507107.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052438 719507110 /nfs/dbraw/zinc/50/71/10/719507110.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162078 719606857 /nfs/dbraw/zinc/60/68/57/719606857.db2.gz HMCITLWCCCDXRI-UHFFFAOYSA-N 2 1 339.911 2.539 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162078 719606859 /nfs/dbraw/zinc/60/68/59/719606859.db2.gz HMCITLWCCCDXRI-UHFFFAOYSA-N 2 1 339.911 2.539 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164537 719609525 /nfs/dbraw/zinc/60/95/25/719609525.db2.gz QIKFFDCOUZSWBX-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164537 719609527 /nfs/dbraw/zinc/60/95/27/719609527.db2.gz QIKFFDCOUZSWBX-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164537 719609532 /nfs/dbraw/zinc/60/95/32/719609532.db2.gz QIKFFDCOUZSWBX-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279896 719792352 /nfs/dbraw/zinc/79/23/52/719792352.db2.gz LWZYAQRWGHWRMX-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279896 719792354 /nfs/dbraw/zinc/79/23/54/719792354.db2.gz LWZYAQRWGHWRMX-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279896 719792355 /nfs/dbraw/zinc/79/23/55/719792355.db2.gz LWZYAQRWGHWRMX-JYRKZWEQSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283365 719797522 /nfs/dbraw/zinc/79/75/22/719797522.db2.gz QLHWGWKYPRNWBB-AHRSYUTCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283365 719797525 /nfs/dbraw/zinc/79/75/25/719797525.db2.gz QLHWGWKYPRNWBB-AHRSYUTCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296791 719840783 /nfs/dbraw/zinc/84/07/83/719840783.db2.gz ZZNSXVKLWBFTMK-FFZOFVMBSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296791 719840791 /nfs/dbraw/zinc/84/07/91/719840791.db2.gz ZZNSXVKLWBFTMK-FFZOFVMBSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296543 719844440 /nfs/dbraw/zinc/84/44/40/719844440.db2.gz UODLMERLPQEUBF-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296543 719844449 /nfs/dbraw/zinc/84/44/49/719844449.db2.gz UODLMERLPQEUBF-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296543 719844457 /nfs/dbraw/zinc/84/44/57/719844457.db2.gz UODLMERLPQEUBF-NRSPTQNISA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333135 719918570 /nfs/dbraw/zinc/91/85/70/719918570.db2.gz SUCRJIONVKBCIO-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333135 719918573 /nfs/dbraw/zinc/91/85/73/719918573.db2.gz SUCRJIONVKBCIO-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333135 719918577 /nfs/dbraw/zinc/91/85/77/719918577.db2.gz SUCRJIONVKBCIO-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333028 719920929 /nfs/dbraw/zinc/92/09/29/719920929.db2.gz QISHDUMYTVRNBE-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333028 719920934 /nfs/dbraw/zinc/92/09/34/719920934.db2.gz QISHDUMYTVRNBE-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333028 719920941 /nfs/dbraw/zinc/92/09/41/719920941.db2.gz QISHDUMYTVRNBE-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344043 719946826 /nfs/dbraw/zinc/94/68/26/719946826.db2.gz RNZAHFPFMHEXNC-BGYRXZFFSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026508884 720690392 /nfs/dbraw/zinc/69/03/92/720690392.db2.gz QRMBLDPQVBPGGS-MHJFOBGBSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026508884 720690399 /nfs/dbraw/zinc/69/03/99/720690399.db2.gz QRMBLDPQVBPGGS-MHJFOBGBSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547375 720730844 /nfs/dbraw/zinc/73/08/44/720730844.db2.gz DCKFVESCPQPRTQ-TVPLGVNVSA-N 2 1 333.520 2.987 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541877 720983844 /nfs/dbraw/zinc/98/38/44/720983844.db2.gz GSGBEOIFUAJIFA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541877 720983847 /nfs/dbraw/zinc/98/38/47/720983847.db2.gz GSGBEOIFUAJIFA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541877 720983849 /nfs/dbraw/zinc/98/38/49/720983849.db2.gz GSGBEOIFUAJIFA-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725872 721131431 /nfs/dbraw/zinc/13/14/31/721131431.db2.gz PDCHWAQQPUWOJS-JYAXBFRTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594168 721232150 /nfs/dbraw/zinc/23/21/50/721232150.db2.gz DBKAJWUWZBTQRK-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594168 721232154 /nfs/dbraw/zinc/23/21/54/721232154.db2.gz DBKAJWUWZBTQRK-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594168 721232157 /nfs/dbraw/zinc/23/21/57/721232157.db2.gz DBKAJWUWZBTQRK-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595481 721262057 /nfs/dbraw/zinc/26/20/57/721262057.db2.gz ZMKKEUKYBFRZCY-RDJZCZTQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595481 721262061 /nfs/dbraw/zinc/26/20/61/721262061.db2.gz ZMKKEUKYBFRZCY-RDJZCZTQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595481 721262065 /nfs/dbraw/zinc/26/20/65/721262065.db2.gz ZMKKEUKYBFRZCY-RDJZCZTQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595481 721262070 /nfs/dbraw/zinc/26/20/70/721262070.db2.gz ZMKKEUKYBFRZCY-RDJZCZTQSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675313 721265953 /nfs/dbraw/zinc/26/59/53/721265953.db2.gz CGLPSHMOQHYVSC-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675313 721265956 /nfs/dbraw/zinc/26/59/56/721265956.db2.gz CGLPSHMOQHYVSC-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974675313 721265960 /nfs/dbraw/zinc/26/59/60/721265960.db2.gz CGLPSHMOQHYVSC-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677650 721270496 /nfs/dbraw/zinc/27/04/96/721270496.db2.gz FTWUFXFRTGOPQD-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677650 721270501 /nfs/dbraw/zinc/27/05/01/721270501.db2.gz FTWUFXFRTGOPQD-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831223 721303394 /nfs/dbraw/zinc/30/33/94/721303394.db2.gz JIRAOYGRQQKOOE-TZRIAGMCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831223 721303396 /nfs/dbraw/zinc/30/33/96/721303396.db2.gz JIRAOYGRQQKOOE-TZRIAGMCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833003 721307208 /nfs/dbraw/zinc/30/72/08/721307208.db2.gz AOHXSKRVEGYCBR-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833559 721309168 /nfs/dbraw/zinc/30/91/68/721309168.db2.gz NREQBJKFNXXHQN-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833559 721309173 /nfs/dbraw/zinc/30/91/73/721309173.db2.gz NREQBJKFNXXHQN-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833559 721309177 /nfs/dbraw/zinc/30/91/77/721309177.db2.gz NREQBJKFNXXHQN-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985687781 724797396 /nfs/dbraw/zinc/79/73/96/724797396.db2.gz XTJQKZIDDBRAIR-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028718170 721890433 /nfs/dbraw/zinc/89/04/33/721890433.db2.gz CNTZNEKAZZWURL-KRWDZBQOSA-N 2 1 338.455 2.890 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755188 721936233 /nfs/dbraw/zinc/93/62/33/721936233.db2.gz IJVPVEJHFQCEST-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755188 721936235 /nfs/dbraw/zinc/93/62/35/721936235.db2.gz IJVPVEJHFQCEST-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755188 721936238 /nfs/dbraw/zinc/93/62/38/721936238.db2.gz IJVPVEJHFQCEST-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925027671 722158982 /nfs/dbraw/zinc/15/89/82/722158982.db2.gz LUQBTNSEFMLNNZ-YQQQUEKLSA-N 2 1 330.472 2.983 20 30 EFEDMP C=CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925027671 722158984 /nfs/dbraw/zinc/15/89/84/722158984.db2.gz LUQBTNSEFMLNNZ-YQQQUEKLSA-N 2 1 330.472 2.983 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985735789 724841759 /nfs/dbraw/zinc/84/17/59/724841759.db2.gz UUMXDRYNNFQBCQ-UHFFFAOYSA-N 2 1 341.927 2.782 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863556 722913215 /nfs/dbraw/zinc/91/32/15/722913215.db2.gz IEXMHQPISIHYBW-PZJWPPBQSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863556 722913217 /nfs/dbraw/zinc/91/32/17/722913217.db2.gz IEXMHQPISIHYBW-PZJWPPBQSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863556 722913218 /nfs/dbraw/zinc/91/32/18/722913218.db2.gz IEXMHQPISIHYBW-PZJWPPBQSA-N 2 1 325.500 2.899 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801461 723339757 /nfs/dbraw/zinc/33/97/57/723339757.db2.gz NHQBRJYAXLPVIE-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802326 723411424 /nfs/dbraw/zinc/41/14/24/723411424.db2.gz XYJYUHMGGUUMNT-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154635094 728832635 /nfs/dbraw/zinc/83/26/35/728832635.db2.gz HFJZZMLPFBWFNH-QFBILLFUSA-N 2 1 344.503 2.736 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985752045 724857158 /nfs/dbraw/zinc/85/71/58/724857158.db2.gz QUSYAJRYWDCTNQ-WBVHZDCISA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802612 724896860 /nfs/dbraw/zinc/89/68/60/724896860.db2.gz UJKTYXIGEAAIEU-UHFFFAOYSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000985801982 724897271 /nfs/dbraw/zinc/89/72/71/724897271.db2.gz LNXNTVZSVMFDMA-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000985801982 724897274 /nfs/dbraw/zinc/89/72/74/724897274.db2.gz LNXNTVZSVMFDMA-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000985801982 724897276 /nfs/dbraw/zinc/89/72/76/724897276.db2.gz LNXNTVZSVMFDMA-MRXNPFEDSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985803823 724898206 /nfs/dbraw/zinc/89/82/06/724898206.db2.gz KQUIEEOEQLMNHF-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP CCOCCC[N@@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@H](C)C1 ZINC000752743720 725443641 /nfs/dbraw/zinc/44/36/41/725443641.db2.gz XJNKDVMZKLCDIM-GFCCVEGCSA-N 2 1 343.269 2.618 20 30 EFEDMP CCOCCC[N@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@H](C)C1 ZINC000752743720 725443642 /nfs/dbraw/zinc/44/36/42/725443642.db2.gz XJNKDVMZKLCDIM-GFCCVEGCSA-N 2 1 343.269 2.618 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136557 725554092 /nfs/dbraw/zinc/55/40/92/725554092.db2.gz KERDFAZABAZJLG-GNBUJSLZSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136557 725554093 /nfs/dbraw/zinc/55/40/93/725554093.db2.gz KERDFAZABAZJLG-GNBUJSLZSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136557 725554095 /nfs/dbraw/zinc/55/40/95/725554095.db2.gz KERDFAZABAZJLG-GNBUJSLZSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136555 725554209 /nfs/dbraw/zinc/55/42/09/725554209.db2.gz KERDFAZABAZJLG-CGBFIWBNSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136555 725554211 /nfs/dbraw/zinc/55/42/11/725554211.db2.gz KERDFAZABAZJLG-CGBFIWBNSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136555 725554212 /nfs/dbraw/zinc/55/42/12/725554212.db2.gz KERDFAZABAZJLG-CGBFIWBNSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992146539 725562340 /nfs/dbraw/zinc/56/23/40/725562340.db2.gz HKQIJDVKDILVOZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992146539 725562341 /nfs/dbraw/zinc/56/23/41/725562341.db2.gz HKQIJDVKDILVOZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992146539 725562342 /nfs/dbraw/zinc/56/23/42/725562342.db2.gz HKQIJDVKDILVOZ-CMKODMSKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992153280 725566643 /nfs/dbraw/zinc/56/66/43/725566643.db2.gz UVAYDWDPQKLMHZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992153280 725566645 /nfs/dbraw/zinc/56/66/45/725566645.db2.gz UVAYDWDPQKLMHZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992153280 725566647 /nfs/dbraw/zinc/56/66/47/725566647.db2.gz UVAYDWDPQKLMHZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262219 725655408 /nfs/dbraw/zinc/65/54/08/725655408.db2.gz RCIOIFDYFFGBCX-APWZRJJASA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262219 725655410 /nfs/dbraw/zinc/65/54/10/725655410.db2.gz RCIOIFDYFFGBCX-APWZRJJASA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040724801 725706013 /nfs/dbraw/zinc/70/60/13/725706013.db2.gz WLCGTWSYJJBXIT-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992317665 725711268 /nfs/dbraw/zinc/71/12/68/725711268.db2.gz PCKPEUWPNFWTEM-ICSRJNTNSA-N 2 1 327.472 2.661 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364486 725747209 /nfs/dbraw/zinc/74/72/09/725747209.db2.gz ARXOZBQOWKVVAM-UYAOXDASSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992399577 725777964 /nfs/dbraw/zinc/77/79/64/725777964.db2.gz CJLORTDYBUNOOD-FPOVZHCZSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992399581 725778000 /nfs/dbraw/zinc/77/80/00/725778000.db2.gz CJLORTDYBUNOOD-PZJWPPBQSA-N 2 1 345.531 2.798 20 30 EFEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153563565 726942380 /nfs/dbraw/zinc/94/23/80/726942380.db2.gz PUOZFPQZGYRBQQ-MRXNPFEDSA-N 2 1 338.565 2.655 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993357976 727160452 /nfs/dbraw/zinc/16/04/52/727160452.db2.gz YBTFUVJLRSGJGJ-DOTOQJQBSA-N 2 1 326.444 2.802 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498050 727283541 /nfs/dbraw/zinc/28/35/41/727283541.db2.gz DKUIFVYETCYPLZ-MAUKXSAKSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498544 727283768 /nfs/dbraw/zinc/28/37/68/727283768.db2.gz FYBWOUUHEGIBCZ-CRAIPNDOSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(Cl)CN1CCC[C@H](NC(=O)c2ccc3cncn3c2C)[C@@H]1C ZINC000993535419 727299958 /nfs/dbraw/zinc/29/99/58/727299958.db2.gz UERWHODLCKKVDK-YOEHRIQHSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993624084 727346395 /nfs/dbraw/zinc/34/63/95/727346395.db2.gz RLXURLUQONFOMD-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993624084 727346396 /nfs/dbraw/zinc/34/63/96/727346396.db2.gz RLXURLUQONFOMD-IAGOWNOFSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012634 727580154 /nfs/dbraw/zinc/58/01/54/727580154.db2.gz VWOMLYFCWICMIV-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201940 727622032 /nfs/dbraw/zinc/62/20/32/727622032.db2.gz INOVZAWVTILCSZ-VQIMIIECSA-N 2 1 333.520 2.654 20 30 EFEDMP C[NH+]=C(NCC(F)F)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000153892151 727665971 /nfs/dbraw/zinc/66/59/71/727665971.db2.gz VCCPADNCVCVIHK-FZMZJTMJSA-N 2 1 330.448 2.561 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994463810 727760740 /nfs/dbraw/zinc/76/07/40/727760740.db2.gz MKXFQWXCLGOGJL-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994469447 727762702 /nfs/dbraw/zinc/76/27/02/727762702.db2.gz JIKXNVRTZZXMKU-AEFFLSMTSA-N 2 1 345.487 2.727 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](C)C1 ZINC000942179514 728351656 /nfs/dbraw/zinc/35/16/56/728351656.db2.gz BHFTUECDFHVXLX-DOTOQJQBSA-N 2 1 332.492 2.719 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040951071 728360149 /nfs/dbraw/zinc/36/01/49/728360149.db2.gz DEVVXWQEEPYFJC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829548 728529806 /nfs/dbraw/zinc/52/98/06/728529806.db2.gz PQKQPSSWDZLAPJ-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829548 728529809 /nfs/dbraw/zinc/52/98/09/728529809.db2.gz PQKQPSSWDZLAPJ-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829548 728529811 /nfs/dbraw/zinc/52/98/11/728529811.db2.gz PQKQPSSWDZLAPJ-RBUKOAKNSA-N 2 1 333.520 2.586 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001571039568 1086652692 /nfs/dbraw/zinc/65/26/92/1086652692.db2.gz UGBURWDWZMSGHE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001571039568 1086652693 /nfs/dbraw/zinc/65/26/93/1086652693.db2.gz UGBURWDWZMSGHE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001571039568 1086652695 /nfs/dbraw/zinc/65/26/95/1086652695.db2.gz UGBURWDWZMSGHE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001571039570 1086653318 /nfs/dbraw/zinc/65/33/18/1086653318.db2.gz UGBURWDWZMSGHE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001571039570 1086653326 /nfs/dbraw/zinc/65/33/26/1086653326.db2.gz UGBURWDWZMSGHE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001571039570 1086653333 /nfs/dbraw/zinc/65/33/33/1086653333.db2.gz UGBURWDWZMSGHE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574545754 1088021425 /nfs/dbraw/zinc/02/14/25/1088021425.db2.gz VHIYMFDGWCOZQL-GOSISDBHSA-N 2 1 343.519 2.582 20 30 EFEDMP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCC[N@H+]1CC ZINC001574836109 1088113982 /nfs/dbraw/zinc/11/39/82/1088113982.db2.gz UYPRXNNQBZBDMI-IRXDYDNUSA-N 2 1 346.523 2.589 20 30 EFEDMP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574835731 1088114031 /nfs/dbraw/zinc/11/40/31/1088114031.db2.gz FLBGZMZBUCHIKO-OALUTQOASA-N 2 1 332.492 2.611 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849783 1088119255 /nfs/dbraw/zinc/11/92/55/1088119255.db2.gz QUTMHMMOCFHDNW-ZWKOTPCHSA-N 2 1 349.906 2.968 20 30 EFEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892412 1088141539 /nfs/dbraw/zinc/14/15/39/1088141539.db2.gz CSITVFMKWQUNLP-HFSMHLIXSA-N 2 1 341.499 2.569 20 30 EFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892438 1088142528 /nfs/dbraw/zinc/14/25/28/1088142528.db2.gz DQVZLTUDPMODEM-HFSMHLIXSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574902029 1088144068 /nfs/dbraw/zinc/14/40/68/1088144068.db2.gz ZDEPVUHIQVSMBJ-RTBURBONSA-N 2 1 329.488 2.793 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001574903977 1088147739 /nfs/dbraw/zinc/14/77/39/1088147739.db2.gz YVVBGQKPWFETQP-NEWSRXKRSA-N 2 1 329.488 2.697 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001574933308 1088160504 /nfs/dbraw/zinc/16/05/04/1088160504.db2.gz PAUNKLDBXPPOID-OAHLLOKOSA-N 2 1 335.517 2.583 20 30 EFEDMP N#Cc1c(NC(=O)CC[NH2+][C@@H](C[NH3+])C2CCCC2)sc2c1CCC2 ZINC001580057466 1090757409 /nfs/dbraw/zinc/75/74/09/1090757409.db2.gz WHIHXUWAMKKGFX-HNNXBMFYSA-N 2 1 346.500 2.544 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075453771 1093038306 /nfs/dbraw/zinc/03/83/06/1093038306.db2.gz AUAHHBWXJGSXIW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453771 1093038310 /nfs/dbraw/zinc/03/83/10/1093038310.db2.gz AUAHHBWXJGSXIW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453771 1093038317 /nfs/dbraw/zinc/03/83/17/1093038317.db2.gz AUAHHBWXJGSXIW-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457534 1093194998 /nfs/dbraw/zinc/19/49/98/1093194998.db2.gz VKWWYJCBLJNVPO-GOSISDBHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515244 1093196532 /nfs/dbraw/zinc/19/65/32/1093196532.db2.gz ZTVDMSXFZMXVOY-DYXWJJEUSA-N 2 1 347.547 2.903 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228804 /nfs/dbraw/zinc/22/88/04/1093228804.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228813 /nfs/dbraw/zinc/22/88/13/1093228813.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228820 /nfs/dbraw/zinc/22/88/20/1093228820.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458833 1093237690 /nfs/dbraw/zinc/23/76/90/1093237690.db2.gz QJCHRIIOBBUFIW-ICSRJNTNSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452253 1093291559 /nfs/dbraw/zinc/29/15/59/1093291559.db2.gz HMNIYNXWVHDYEH-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452386 1093293202 /nfs/dbraw/zinc/29/32/02/1093293202.db2.gz JZVRBVJPNVMITO-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461460 1093319607 /nfs/dbraw/zinc/31/96/07/1093319607.db2.gz HVELORPUXYXSHE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461460 1093319614 /nfs/dbraw/zinc/31/96/14/1093319614.db2.gz HVELORPUXYXSHE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461460 1093319624 /nfs/dbraw/zinc/31/96/24/1093319624.db2.gz HVELORPUXYXSHE-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461641 1093325691 /nfs/dbraw/zinc/32/56/91/1093325691.db2.gz NJDXSVVNHBADHH-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461747 1093328776 /nfs/dbraw/zinc/32/87/76/1093328776.db2.gz QFGCQUNUXYFLDI-GOSISDBHSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682102 1094616372 /nfs/dbraw/zinc/61/63/72/1094616372.db2.gz AYZZDQGNFBSJHE-GDBMZVCRSA-N 2 1 343.943 2.791 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529882 1094762852 /nfs/dbraw/zinc/76/28/52/1094762852.db2.gz TUGVGQRRRNJTSB-BJLQDIEVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112530009 1094772706 /nfs/dbraw/zinc/77/27/06/1094772706.db2.gz ZAHZWGBSHVOPEL-BJLQDIEVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531698 1095094230 /nfs/dbraw/zinc/09/42/30/1095094230.db2.gz MNMLEFZHUONNGD-PXNSSMCTSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421015 1095119164 /nfs/dbraw/zinc/11/91/64/1095119164.db2.gz YSTNHPOYDSPNCW-GJZGRUSLSA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301452 1095133442 /nfs/dbraw/zinc/13/34/42/1095133442.db2.gz CLXTYVOPICUUEX-KZNAEPCWSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001087303006 1095161330 /nfs/dbraw/zinc/16/13/30/1095161330.db2.gz FCMFBYRPJWQFHX-BPQIPLTHSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303006 1095161336 /nfs/dbraw/zinc/16/13/36/1095161336.db2.gz FCMFBYRPJWQFHX-BPQIPLTHSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303006 1095161343 /nfs/dbraw/zinc/16/13/43/1095161343.db2.gz FCMFBYRPJWQFHX-BPQIPLTHSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306354 1095192421 /nfs/dbraw/zinc/19/24/21/1095192421.db2.gz HUNZQHDDYJMFLL-NJAFHUGGSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306354 1095192430 /nfs/dbraw/zinc/19/24/30/1095192430.db2.gz HUNZQHDDYJMFLL-NJAFHUGGSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087307119 1095198940 /nfs/dbraw/zinc/19/89/40/1095198940.db2.gz UICOPCYIGXLROI-YZGWKJHDSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311792 1095253910 /nfs/dbraw/zinc/25/39/10/1095253910.db2.gz URUGWKUZXGPZAQ-QRVBRYPASA-N 2 1 347.547 2.898 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317550 1095316970 /nfs/dbraw/zinc/31/69/70/1095316970.db2.gz KEELMYLAKFUCQD-NEWSRXKRSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317550 1095316984 /nfs/dbraw/zinc/31/69/84/1095316984.db2.gz KEELMYLAKFUCQD-NEWSRXKRSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964043 1095846030 /nfs/dbraw/zinc/84/60/30/1095846030.db2.gz SVZZGIJJNBZFLD-UHFFFAOYSA-N 2 1 329.488 2.515 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711497 1096252253 /nfs/dbraw/zinc/25/22/53/1096252253.db2.gz JKMNAROALWMYLN-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713854 1096308826 /nfs/dbraw/zinc/30/88/26/1096308826.db2.gz WCGXIKLQXZUDLY-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729590 1096608577 /nfs/dbraw/zinc/60/85/77/1096608577.db2.gz DJQRPSASDCFACS-VQTJNVASSA-N 2 1 343.515 2.877 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609051561 1098121559 /nfs/dbraw/zinc/12/15/59/1098121559.db2.gz HCPLZPGMKWHEIC-SFHVURJKSA-N 2 1 340.475 2.948 20 30 EFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896414 1098932321 /nfs/dbraw/zinc/93/23/21/1098932321.db2.gz XSANOOIVRXGQKF-VAMGGRTRSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013269 1099354563 /nfs/dbraw/zinc/35/45/63/1099354563.db2.gz GORGLGDKHUFDSE-SOLBZPMBSA-N 2 1 332.492 2.620 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066909 1099547646 /nfs/dbraw/zinc/54/76/46/1099547646.db2.gz GDBWYTMPGDBNDY-OIISXLGYSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673577 1099632036 /nfs/dbraw/zinc/63/20/36/1099632036.db2.gz QRDFXIOCHVRNMW-YZGWKJHDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394210 1100398564 /nfs/dbraw/zinc/39/85/64/1100398564.db2.gz QOYJLCBBZLYYGB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540925 /nfs/dbraw/zinc/54/09/25/1100540925.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540928 /nfs/dbraw/zinc/54/09/28/1100540928.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540934 /nfs/dbraw/zinc/54/09/34/1100540934.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598519 1100578189 /nfs/dbraw/zinc/57/81/89/1100578189.db2.gz MQMITUMMIHBEQA-GBESFXJTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598519 1100578193 /nfs/dbraw/zinc/57/81/93/1100578193.db2.gz MQMITUMMIHBEQA-GBESFXJTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598519 1100578194 /nfs/dbraw/zinc/57/81/94/1100578194.db2.gz MQMITUMMIHBEQA-GBESFXJTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396762 1100593491 /nfs/dbraw/zinc/59/34/91/1100593491.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396762 1100593494 /nfs/dbraw/zinc/59/34/94/1100593494.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396762 1100593500 /nfs/dbraw/zinc/59/35/00/1100593500.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396832 1100611458 /nfs/dbraw/zinc/61/14/58/1100611458.db2.gz XBFCDDBOMYOJID-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396833 1100611630 /nfs/dbraw/zinc/61/16/30/1100611630.db2.gz XBFCDDBOMYOJID-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799066 1100783198 /nfs/dbraw/zinc/78/31/98/1100783198.db2.gz CCOBGEHGQACCKF-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799066 1100783203 /nfs/dbraw/zinc/78/32/03/1100783203.db2.gz CCOBGEHGQACCKF-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993695 1101167322 /nfs/dbraw/zinc/16/73/22/1101167322.db2.gz YRAKYVDVYPADDP-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993695 1101167324 /nfs/dbraw/zinc/16/73/24/1101167324.db2.gz YRAKYVDVYPADDP-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993695 1101167326 /nfs/dbraw/zinc/16/73/26/1101167326.db2.gz YRAKYVDVYPADDP-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053215 1101250497 /nfs/dbraw/zinc/25/04/97/1101250497.db2.gz ZCKOYISYNUYHIP-AABGKKOBSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(CC)CC)C1 ZINC001104306128 1101517435 /nfs/dbraw/zinc/51/74/35/1101517435.db2.gz MDZFBRCAPJACBH-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(CC)CC)C1 ZINC001104306128 1101517445 /nfs/dbraw/zinc/51/74/45/1101517445.db2.gz MDZFBRCAPJACBH-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCC)C1 ZINC001104306309 1101518386 /nfs/dbraw/zinc/51/83/86/1101518386.db2.gz XAWOWCIMASRDQU-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCC)C1 ZINC001104306309 1101518399 /nfs/dbraw/zinc/51/83/99/1101518399.db2.gz XAWOWCIMASRDQU-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311177 1101572980 /nfs/dbraw/zinc/57/29/80/1101572980.db2.gz VWGMVUJQNYOODW-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426613 1101585109 /nfs/dbraw/zinc/58/51/09/1101585109.db2.gz VNORCZFTNAEWPA-QZTJIDSGSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623650 /nfs/dbraw/zinc/62/36/50/1101623650.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623654 /nfs/dbraw/zinc/62/36/54/1101623654.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623658 /nfs/dbraw/zinc/62/36/58/1101623658.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166894 1101730235 /nfs/dbraw/zinc/73/02/35/1101730235.db2.gz XGOKNLBXMFQUIT-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166894 1101730241 /nfs/dbraw/zinc/73/02/41/1101730241.db2.gz XGOKNLBXMFQUIT-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166894 1101730247 /nfs/dbraw/zinc/73/02/47/1101730247.db2.gz XGOKNLBXMFQUIT-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211755 1101881379 /nfs/dbraw/zinc/88/13/79/1101881379.db2.gz YLEDILMIDJSFAP-MOPGFXCFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212659 1101888986 /nfs/dbraw/zinc/88/89/86/1101888986.db2.gz GPJCYITYOSPASC-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212994 1101894135 /nfs/dbraw/zinc/89/41/35/1101894135.db2.gz FBCVQCNAAJGJPN-AABGKKOBSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212994 1101894152 /nfs/dbraw/zinc/89/41/52/1101894152.db2.gz FBCVQCNAAJGJPN-AABGKKOBSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236273 1102112216 /nfs/dbraw/zinc/11/22/16/1102112216.db2.gz JEZJFUIWPGQJKK-QZTJIDSGSA-N 2 1 335.536 2.807 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378773 1102500216 /nfs/dbraw/zinc/50/02/16/1102500216.db2.gz FYNYAIZSIAUCRD-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287008 1102579512 /nfs/dbraw/zinc/57/95/12/1102579512.db2.gz QIBKOVMFXSAIPU-QRVBRYPASA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291098 1102852451 /nfs/dbraw/zinc/85/24/51/1102852451.db2.gz IUNGOFSFWJLGQI-KURKYZTESA-N 2 1 344.503 2.801 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291100 1102852621 /nfs/dbraw/zinc/85/26/21/1102852621.db2.gz IUNGOFSFWJLGQI-KZNAEPCWSA-N 2 1 344.503 2.801 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291922 1102860129 /nfs/dbraw/zinc/86/01/29/1102860129.db2.gz ZWOAAGMEVUDFFH-KURKYZTESA-N 2 1 344.503 2.801 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088328963 1102939124 /nfs/dbraw/zinc/93/91/24/1102939124.db2.gz KLQMSLPXZRSHDM-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088328963 1102939130 /nfs/dbraw/zinc/93/91/30/1102939130.db2.gz KLQMSLPXZRSHDM-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088369956 1103202803 /nfs/dbraw/zinc/20/28/03/1103202803.db2.gz WXKHGVFOOQVDBE-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001271953507 1103228707 /nfs/dbraw/zinc/22/87/07/1103228707.db2.gz GZODLGIOARUEGH-NRFANRHFSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381279 1103336228 /nfs/dbraw/zinc/33/62/28/1103336228.db2.gz AYCOQBPMCBBJEQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001088381259 1103336455 /nfs/dbraw/zinc/33/64/55/1103336455.db2.gz AOJIWBINZJAHSW-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381280 1103336487 /nfs/dbraw/zinc/33/64/87/1103336487.db2.gz AYCOQBPMCBBJEQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381281 1103337070 /nfs/dbraw/zinc/33/70/70/1103337070.db2.gz AYCOQBPMCBBJEQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991066672 1103454637 /nfs/dbraw/zinc/45/46/37/1103454637.db2.gz JQTRDJWOZINXBY-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991066672 1103454646 /nfs/dbraw/zinc/45/46/46/1103454646.db2.gz JQTRDJWOZINXBY-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991066672 1103454650 /nfs/dbraw/zinc/45/46/50/1103454650.db2.gz JQTRDJWOZINXBY-QWFCFKBJSA-N 2 1 333.520 2.939 20 30 EFEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212144954 1104112291 /nfs/dbraw/zinc/11/22/91/1104112291.db2.gz HVVJXQDMIRCWGS-HNNXBMFYSA-N 2 1 331.395 2.915 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379706 1104131497 /nfs/dbraw/zinc/13/14/97/1104131497.db2.gz ODFWQGAPNXNVDK-WOJBJXKFSA-N 2 1 334.504 2.687 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522139 1104142835 /nfs/dbraw/zinc/14/28/35/1104142835.db2.gz OAHIGZSVGGEITN-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569127 1104581999 /nfs/dbraw/zinc/58/19/99/1104581999.db2.gz HVVYMRLCQXVMEK-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569127 1104582002 /nfs/dbraw/zinc/58/20/02/1104582002.db2.gz HVVYMRLCQXVMEK-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569127 1104582011 /nfs/dbraw/zinc/58/20/11/1104582011.db2.gz HVVYMRLCQXVMEK-LMMKCTJWSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621472 1105517445 /nfs/dbraw/zinc/51/74/45/1105517445.db2.gz FXFSBCASHNXMCG-PMPSAXMXSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621472 1105517451 /nfs/dbraw/zinc/51/74/51/1105517451.db2.gz FXFSBCASHNXMCG-PMPSAXMXSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621472 1105517455 /nfs/dbraw/zinc/51/74/55/1105517455.db2.gz FXFSBCASHNXMCG-PMPSAXMXSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621472 1105517458 /nfs/dbraw/zinc/51/74/58/1105517458.db2.gz FXFSBCASHNXMCG-PMPSAXMXSA-N 2 1 327.900 2.581 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588505 /nfs/dbraw/zinc/58/85/05/1105588505.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518085 1105864552 /nfs/dbraw/zinc/86/45/52/1105864552.db2.gz QKCBDEAVWNHVHY-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542074 1105899877 /nfs/dbraw/zinc/89/98/77/1105899877.db2.gz OMMQNIPQAVRQBR-IBGZPJMESA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542593 1105900705 /nfs/dbraw/zinc/90/07/05/1105900705.db2.gz YEVMBGBDZVGEAO-LJQANCHMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536923 1105905616 /nfs/dbraw/zinc/90/56/16/1105905616.db2.gz KUFAEEUSUZBTRM-MOPGFXCFSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451648 1106212993 /nfs/dbraw/zinc/21/29/93/1106212993.db2.gz JJVZUYIGZRBCTP-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513387 1106396775 /nfs/dbraw/zinc/39/67/75/1106396775.db2.gz CZMJKOSTZYKELJ-CABCVRRESA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774821 1106646744 /nfs/dbraw/zinc/64/67/44/1106646744.db2.gz GXARNZHHMZHRRZ-UHFFFAOYSA-N 2 1 333.476 2.845 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243814 1106723292 /nfs/dbraw/zinc/72/32/92/1106723292.db2.gz BVMIRSLUWWUJGG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243814 1106723297 /nfs/dbraw/zinc/72/32/97/1106723297.db2.gz BVMIRSLUWWUJGG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243814 1106723303 /nfs/dbraw/zinc/72/33/03/1106723303.db2.gz BVMIRSLUWWUJGG-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243812 1106723411 /nfs/dbraw/zinc/72/34/11/1106723411.db2.gz BVMIRSLUWWUJGG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243812 1106723415 /nfs/dbraw/zinc/72/34/15/1106723415.db2.gz BVMIRSLUWWUJGG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243812 1106723420 /nfs/dbraw/zinc/72/34/20/1106723420.db2.gz BVMIRSLUWWUJGG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060652 1107384164 /nfs/dbraw/zinc/38/41/64/1107384164.db2.gz ZHDJFJNEADUWLR-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346173 1107388757 /nfs/dbraw/zinc/38/87/57/1107388757.db2.gz VYEKEFWPIONZKT-SFHVURJKSA-N 2 1 329.488 2.742 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106412 1107500165 /nfs/dbraw/zinc/50/01/65/1107500165.db2.gz FLBYNCCDIFMFBL-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719704 /nfs/dbraw/zinc/71/97/04/1107719704.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719716 /nfs/dbraw/zinc/71/97/16/1107719716.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719727 /nfs/dbraw/zinc/71/97/27/1107719727.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150947 1108658822 /nfs/dbraw/zinc/65/88/22/1108658822.db2.gz IQQOBQLZIJWYCM-BRWVUGGUSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769748 1108726899 /nfs/dbraw/zinc/72/68/99/1108726899.db2.gz BJBCVNYYJVSSQG-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076626930 1109970049 /nfs/dbraw/zinc/97/00/49/1109970049.db2.gz CWJJCQNNOJMPMT-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571396 1111638803 /nfs/dbraw/zinc/63/88/03/1111638803.db2.gz YMZLDXKFZVJKAT-DJIMGWMZSA-N 2 1 341.927 2.545 20 30 EFEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240942 1111682651 /nfs/dbraw/zinc/68/26/51/1111682651.db2.gz WIIMUBWAKDYTGA-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240942 1111682654 /nfs/dbraw/zinc/68/26/54/1111682654.db2.gz WIIMUBWAKDYTGA-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240942 1111682657 /nfs/dbraw/zinc/68/26/57/1111682657.db2.gz WIIMUBWAKDYTGA-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729618 1111771797 /nfs/dbraw/zinc/77/17/97/1111771797.db2.gz VKLYKZKFZXKHNL-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386652 1112048273 /nfs/dbraw/zinc/04/82/73/1112048273.db2.gz RXVNZAOMNLDXLE-RBUKOAKNSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386303 1112049907 /nfs/dbraw/zinc/04/99/07/1112049907.db2.gz OHKOKHJPEXABHN-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389019 1112055058 /nfs/dbraw/zinc/05/50/58/1112055058.db2.gz JLITUJNGZWIDFG-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389019 1112055061 /nfs/dbraw/zinc/05/50/61/1112055061.db2.gz JLITUJNGZWIDFG-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389019 1112055064 /nfs/dbraw/zinc/05/50/64/1112055064.db2.gz JLITUJNGZWIDFG-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392042 1112058273 /nfs/dbraw/zinc/05/82/73/1112058273.db2.gz RFSZVDVRRSLYFK-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392042 1112058276 /nfs/dbraw/zinc/05/82/76/1112058276.db2.gz RFSZVDVRRSLYFK-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392042 1112058281 /nfs/dbraw/zinc/05/82/81/1112058281.db2.gz RFSZVDVRRSLYFK-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398722 1112067034 /nfs/dbraw/zinc/06/70/34/1112067034.db2.gz LWCGUBWIRHZONA-INIZCTEOSA-N 2 1 347.528 2.663 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406591 1112078494 /nfs/dbraw/zinc/07/84/94/1112078494.db2.gz NXXBBWAYTFXTTP-MJGOQNOKSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406591 1112078497 /nfs/dbraw/zinc/07/84/97/1112078497.db2.gz NXXBBWAYTFXTTP-MJGOQNOKSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406591 1112078501 /nfs/dbraw/zinc/07/85/01/1112078501.db2.gz NXXBBWAYTFXTTP-MJGOQNOKSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406957 1112078836 /nfs/dbraw/zinc/07/88/36/1112078836.db2.gz UITOQVSMWUHDMJ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406957 1112078840 /nfs/dbraw/zinc/07/88/40/1112078840.db2.gz UITOQVSMWUHDMJ-JKSUJKDBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423354 1112107666 /nfs/dbraw/zinc/10/76/66/1112107666.db2.gz ILILBRUQIYKFRA-DLBZAZTESA-N 2 1 344.503 2.628 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429713 1112119852 /nfs/dbraw/zinc/11/98/52/1112119852.db2.gz DWOFWZYKGXTQHO-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430124 1112120945 /nfs/dbraw/zinc/12/09/45/1112120945.db2.gz IFXBXEKNESVTHZ-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431069 1112123801 /nfs/dbraw/zinc/12/38/01/1112123801.db2.gz YEOYTKGJTHULSS-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089471773 1112196202 /nfs/dbraw/zinc/19/62/02/1112196202.db2.gz ABFPOAYKONROGY-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471773 1112196207 /nfs/dbraw/zinc/19/62/07/1112196207.db2.gz ABFPOAYKONROGY-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471773 1112196211 /nfs/dbraw/zinc/19/62/11/1112196211.db2.gz ABFPOAYKONROGY-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475508 1112197619 /nfs/dbraw/zinc/19/76/19/1112197619.db2.gz BSHIZVYSHONNGC-INIZCTEOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221199 /nfs/dbraw/zinc/22/11/99/1112221199.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221205 /nfs/dbraw/zinc/22/12/05/1112221205.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221210 /nfs/dbraw/zinc/22/12/10/1112221210.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509073 1112251476 /nfs/dbraw/zinc/25/14/76/1112251476.db2.gz DSFBSCDHSYWMNW-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255485 /nfs/dbraw/zinc/25/54/85/1112255485.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255488 /nfs/dbraw/zinc/25/54/88/1112255488.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255491 /nfs/dbraw/zinc/25/54/91/1112255491.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510307 1112260329 /nfs/dbraw/zinc/26/03/29/1112260329.db2.gz QMWLSTUUEHBBNB-RBUKOAKNSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527419 1112271297 /nfs/dbraw/zinc/27/12/97/1112271297.db2.gz PBHKDGRVEQNXQW-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534037 1112279921 /nfs/dbraw/zinc/27/99/21/1112279921.db2.gz NBYRBBWECNLACV-IBGZPJMESA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089538894 1112284216 /nfs/dbraw/zinc/28/42/16/1112284216.db2.gz GYIYTQUHHABLTB-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089538894 1112284217 /nfs/dbraw/zinc/28/42/17/1112284217.db2.gz GYIYTQUHHABLTB-INIZCTEOSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641274 1112432610 /nfs/dbraw/zinc/43/26/10/1112432610.db2.gz KLBYCDNZANQINE-RBUKOAKNSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089640284 1112433007 /nfs/dbraw/zinc/43/30/07/1112433007.db2.gz DWBZAGYMNWECFJ-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089650050 1112474775 /nfs/dbraw/zinc/47/47/75/1112474775.db2.gz SEEZEZJNZBWWDT-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089650050 1112474776 /nfs/dbraw/zinc/47/47/76/1112474776.db2.gz SEEZEZJNZBWWDT-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089650050 1112474779 /nfs/dbraw/zinc/47/47/79/1112474779.db2.gz SEEZEZJNZBWWDT-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089650050 1112474781 /nfs/dbraw/zinc/47/47/81/1112474781.db2.gz SEEZEZJNZBWWDT-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649642 1112478670 /nfs/dbraw/zinc/47/86/70/1112478670.db2.gz MECDDRGOINDOJM-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649642 1112478675 /nfs/dbraw/zinc/47/86/75/1112478675.db2.gz MECDDRGOINDOJM-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649642 1112478678 /nfs/dbraw/zinc/47/86/78/1112478678.db2.gz MECDDRGOINDOJM-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650275 1112499593 /nfs/dbraw/zinc/49/95/93/1112499593.db2.gz XXDQRYMUMLFNBV-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650275 1112499595 /nfs/dbraw/zinc/49/95/95/1112499595.db2.gz XXDQRYMUMLFNBV-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656357 1112565412 /nfs/dbraw/zinc/56/54/12/1112565412.db2.gz HFQBZENONCJJDE-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660260 1112593228 /nfs/dbraw/zinc/59/32/28/1112593228.db2.gz GAQUXUJMQBCBFK-DLBZAZTESA-N 2 1 344.503 2.628 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820456 1117877734 /nfs/dbraw/zinc/87/77/34/1117877734.db2.gz MRAMZYJSNPGDDG-RDGPPVDQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099497837 1118621310 /nfs/dbraw/zinc/62/13/10/1118621310.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497837 1118621313 /nfs/dbraw/zinc/62/13/13/1118621313.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497837 1118621314 /nfs/dbraw/zinc/62/13/14/1118621314.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099497838 1118621402 /nfs/dbraw/zinc/62/14/02/1118621402.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497838 1118621404 /nfs/dbraw/zinc/62/14/04/1118621404.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 2 1 347.547 2.852 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099497838 1118621406 /nfs/dbraw/zinc/62/14/06/1118621406.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 2 1 347.547 2.852 20 30 EFEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272710429 1118779492 /nfs/dbraw/zinc/77/94/92/1118779492.db2.gz WVRGAMSSXKXABD-HXUWFJFHSA-N 2 1 335.536 2.999 20 30 EFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716520 1118921322 /nfs/dbraw/zinc/92/13/22/1118921322.db2.gz GQSOJTNEWJSLNT-FQEVSTJZSA-N 2 1 346.519 2.623 20 30 EFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716520 1118921323 /nfs/dbraw/zinc/92/13/23/1118921323.db2.gz GQSOJTNEWJSLNT-FQEVSTJZSA-N 2 1 346.519 2.623 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518862 1118922323 /nfs/dbraw/zinc/92/23/23/1118922323.db2.gz YMHQANYLORAFSF-BLLLJJGKSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518862 1118922325 /nfs/dbraw/zinc/92/23/25/1118922325.db2.gz YMHQANYLORAFSF-BLLLJJGKSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942529956 1118930306 /nfs/dbraw/zinc/93/03/06/1118930306.db2.gz OFORLHKJPPXEHM-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942722894 1119086564 /nfs/dbraw/zinc/08/65/64/1119086564.db2.gz PQNGBDQAYXSGFI-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514430 1119529707 /nfs/dbraw/zinc/52/97/07/1119529707.db2.gz CEXPQNGMBFOXIK-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877728 1119758950 /nfs/dbraw/zinc/75/89/50/1119758950.db2.gz PIIXMOVZERUVBW-PBHICJAKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877728 1119758955 /nfs/dbraw/zinc/75/89/55/1119758955.db2.gz PIIXMOVZERUVBW-PBHICJAKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039753 1120079432 /nfs/dbraw/zinc/07/94/32/1120079432.db2.gz XFPGPBQVAKQUKG-ZTFGCOKTSA-N 2 1 349.906 2.726 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553871 1120163384 /nfs/dbraw/zinc/16/33/84/1120163384.db2.gz NTVDHWIANPVIMB-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553871 1120163386 /nfs/dbraw/zinc/16/33/86/1120163386.db2.gz NTVDHWIANPVIMB-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553871 1120163391 /nfs/dbraw/zinc/16/33/91/1120163391.db2.gz NTVDHWIANPVIMB-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000181418305 234178538 /nfs/dbraw/zinc/17/85/38/234178538.db2.gz HPYVRRSGNMWPDY-UHFFFAOYSA-N 2 1 340.515 2.988 20 30 EFEDMP C[C@H]1CCC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181507183 234209776 /nfs/dbraw/zinc/20/97/76/234209776.db2.gz USYSNVCHKKAGHU-SFHVURJKSA-N 2 1 340.515 2.844 20 30 EFEDMP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181507183 234209779 /nfs/dbraw/zinc/20/97/79/234209779.db2.gz USYSNVCHKKAGHU-SFHVURJKSA-N 2 1 340.515 2.844 20 30 EFEDMP [NH2+]=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262448092 240353996 /nfs/dbraw/zinc/35/39/96/240353996.db2.gz DNRDSESSYKXLTB-NSHDSACASA-N 2 1 339.321 2.523 20 30 EFEDMP C[NH+]=C(NC1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262482553 240356433 /nfs/dbraw/zinc/35/64/33/240356433.db2.gz RUUMAWFNQOHFRO-HXUWFJFHSA-N 2 1 326.488 2.712 20 30 EFEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@@H](C)C3)CC2)oc1C ZINC000262516788 240359930 /nfs/dbraw/zinc/35/99/30/240359930.db2.gz GSHJWUDGQJLUGX-CQSZACIVSA-N 2 1 347.507 2.550 20 30 EFEDMP C[NH+]=C(NCC1(c2ccc(Cl)cc2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262727337 240363773 /nfs/dbraw/zinc/36/37/73/240363773.db2.gz APHPZHWFMBTINM-INIZCTEOSA-N 2 1 346.906 2.773 20 30 EFEDMP C[NH+]=C(NCC1(c2ccc(Cl)cc2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262727337 240363783 /nfs/dbraw/zinc/36/37/83/240363783.db2.gz APHPZHWFMBTINM-INIZCTEOSA-N 2 1 346.906 2.773 20 30 EFEDMP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1F ZINC000262683033 240363842 /nfs/dbraw/zinc/36/38/42/240363842.db2.gz XCCPFVJYLXASRJ-XJKSGUPXSA-N 2 1 336.842 2.542 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247352953 240280272 /nfs/dbraw/zinc/28/02/72/240280272.db2.gz PKROFRNFRDFDJJ-NZSAHSFTSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247352953 240280280 /nfs/dbraw/zinc/28/02/80/240280280.db2.gz PKROFRNFRDFDJJ-NZSAHSFTSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247352953 240280287 /nfs/dbraw/zinc/28/02/87/240280287.db2.gz PKROFRNFRDFDJJ-NZSAHSFTSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247352953 240280296 /nfs/dbraw/zinc/28/02/96/240280296.db2.gz PKROFRNFRDFDJJ-NZSAHSFTSA-N 2 1 332.488 2.569 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000248180800 240288492 /nfs/dbraw/zinc/28/84/92/240288492.db2.gz WJGNCKWYSVBKJM-WIYYLYMNSA-N 2 1 342.531 2.922 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248482437 240291245 /nfs/dbraw/zinc/29/12/45/240291245.db2.gz CARDFRAUYJKCKO-VQIMIIECSA-N 2 1 329.488 2.828 20 30 EFEDMP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248482436 240291685 /nfs/dbraw/zinc/29/16/85/240291685.db2.gz CARDFRAUYJKCKO-QFBILLFUSA-N 2 1 329.488 2.828 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261793612 240324624 /nfs/dbraw/zinc/32/46/24/240324624.db2.gz QRBSFPXRSSTTMP-DLBZAZTESA-N 2 1 340.581 2.756 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cn1 ZINC000261968257 240336811 /nfs/dbraw/zinc/33/68/11/240336811.db2.gz CGFKUEYIURFWRW-UHFFFAOYSA-N 2 1 346.438 2.991 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)NC1CC1 ZINC000262036324 240341907 /nfs/dbraw/zinc/34/19/07/240341907.db2.gz QNDAPNWWBCFNRZ-LRDDRELGSA-N 2 1 338.858 2.799 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354543653 242004947 /nfs/dbraw/zinc/00/49/47/242004947.db2.gz XWKFINNMQGCBGD-YSIASYRMSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354543653 242004952 /nfs/dbraw/zinc/00/49/52/242004952.db2.gz XWKFINNMQGCBGD-YSIASYRMSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354543653 242004959 /nfs/dbraw/zinc/00/49/59/242004959.db2.gz XWKFINNMQGCBGD-YSIASYRMSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521151 242123632 /nfs/dbraw/zinc/12/36/32/242123632.db2.gz XDVCKKDSAWMUGW-MRXNPFEDSA-N 2 1 347.528 2.727 20 30 EFEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459952 242223261 /nfs/dbraw/zinc/22/32/61/242223261.db2.gz OOMPRLFGNVHSGA-MJGOQNOKSA-N 2 1 345.487 2.816 20 30 EFEDMP CC#CCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364084536 242290993 /nfs/dbraw/zinc/29/09/93/242290993.db2.gz VOCIPCGPDRYKJK-UHFFFAOYSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735778 244316172 /nfs/dbraw/zinc/31/61/72/244316172.db2.gz GZSTUNKSLGNEAZ-BRWVUGGUSA-N 2 1 340.475 2.599 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441358388 250024555 /nfs/dbraw/zinc/02/45/55/250024555.db2.gz OKJOXEPGPLUJAU-UXHICEINSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441358388 250024560 /nfs/dbraw/zinc/02/45/60/250024560.db2.gz OKJOXEPGPLUJAU-UXHICEINSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441358388 250024565 /nfs/dbraw/zinc/02/45/65/250024565.db2.gz OKJOXEPGPLUJAU-UXHICEINSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441358388 250024568 /nfs/dbraw/zinc/02/45/68/250024568.db2.gz OKJOXEPGPLUJAU-UXHICEINSA-N 2 1 346.515 2.961 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304494286 296310637 /nfs/dbraw/zinc/31/06/37/296310637.db2.gz PAWDYSLQYABYNV-WBVHZDCISA-N 2 1 330.476 2.679 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170906389 533010826 /nfs/dbraw/zinc/01/08/26/533010826.db2.gz RIVUXDMSUZJTEH-INIZCTEOSA-N 2 1 339.443 2.654 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)cc1 ZINC000170906011 533177494 /nfs/dbraw/zinc/17/74/94/533177494.db2.gz ZCABJRCBLIGGHL-KRWDZBQOSA-N 2 1 339.443 2.654 20 30 EFEDMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000342435394 145125841 /nfs/dbraw/zinc/12/58/41/145125841.db2.gz XGRGEJQVOPCWPX-UHFFFAOYSA-N 2 1 330.457 2.635 20 30 EFEDMP CCCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344076848 145362743 /nfs/dbraw/zinc/36/27/43/145362743.db2.gz PNHOKBXMRIFGOH-UHFFFAOYSA-N 2 1 328.504 2.844 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421728 151344410 /nfs/dbraw/zinc/34/44/10/151344410.db2.gz PFUXUTHLIUNEHE-YZGWKJHDSA-N 2 1 343.471 2.511 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138769 287276574 /nfs/dbraw/zinc/27/65/74/287276574.db2.gz UVHDVZLVZLPXIN-VQIMIIECSA-N 2 1 342.487 2.698 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000272760495 266374232 /nfs/dbraw/zinc/37/42/32/266374232.db2.gz PHNAPRZIVQIBQQ-LJQANCHMSA-N 2 1 339.414 2.554 20 30 EFEDMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000281301924 266537788 /nfs/dbraw/zinc/53/77/88/266537788.db2.gz PUNFHOJWQGXZCP-UHFFFAOYSA-N 2 1 337.471 2.876 20 30 EFEDMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000281301924 266537790 /nfs/dbraw/zinc/53/77/90/266537790.db2.gz PUNFHOJWQGXZCP-UHFFFAOYSA-N 2 1 337.471 2.876 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000482162122 267060000 /nfs/dbraw/zinc/06/00/00/267060000.db2.gz GUWSJHXQHJKAPF-HKUYNNGSSA-N 2 1 342.487 2.987 20 30 EFEDMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000453413853 267305152 /nfs/dbraw/zinc/30/51/52/267305152.db2.gz WNZPGOSPVGSADI-UHFFFAOYSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000278886367 267595684 /nfs/dbraw/zinc/59/56/84/267595684.db2.gz YGTWUSMGRTWWPQ-FQEVSTJZSA-N 2 1 328.504 2.873 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212193 /nfs/dbraw/zinc/21/21/93/268212193.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212196 /nfs/dbraw/zinc/21/21/96/268212196.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212198 /nfs/dbraw/zinc/21/21/98/268212198.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 2 1 347.462 2.655 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212200 /nfs/dbraw/zinc/21/22/00/268212200.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 2 1 347.462 2.655 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326795 320098868 /nfs/dbraw/zinc/09/88/68/320098868.db2.gz QWXCMSCMQYANJL-GOSISDBHSA-N 2 1 326.488 2.847 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111613860 473219556 /nfs/dbraw/zinc/21/95/56/473219556.db2.gz CZKHQVQTXFONCM-KRWDZBQOSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111613860 473219558 /nfs/dbraw/zinc/21/95/58/473219558.db2.gz CZKHQVQTXFONCM-KRWDZBQOSA-N 2 1 341.499 2.590 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633161 473235846 /nfs/dbraw/zinc/23/58/46/473235846.db2.gz HBBFNMAYQBWXEM-SFHVURJKSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633161 473235849 /nfs/dbraw/zinc/23/58/49/473235849.db2.gz HBBFNMAYQBWXEM-SFHVURJKSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081633161 473235854 /nfs/dbraw/zinc/23/58/54/473235854.db2.gz HBBFNMAYQBWXEM-SFHVURJKSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633161 473235856 /nfs/dbraw/zinc/23/58/56/473235856.db2.gz HBBFNMAYQBWXEM-SFHVURJKSA-N 2 1 343.471 2.609 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057597 473296311 /nfs/dbraw/zinc/29/63/11/473296311.db2.gz PKROFRNFRDFDJJ-WDSOQIARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057597 473296315 /nfs/dbraw/zinc/29/63/15/473296315.db2.gz PKROFRNFRDFDJJ-WDSOQIARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057597 473296322 /nfs/dbraw/zinc/29/63/22/473296322.db2.gz PKROFRNFRDFDJJ-WDSOQIARSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057597 473296328 /nfs/dbraw/zinc/29/63/28/473296328.db2.gz PKROFRNFRDFDJJ-WDSOQIARSA-N 2 1 332.488 2.569 20 30 EFEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031834 473316347 /nfs/dbraw/zinc/31/63/47/473316347.db2.gz FYNMSRWVRCHVPD-FUHWJXTLSA-N 2 1 344.503 2.927 20 30 EFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N[C@H]1C[C@H]1C ZINC000083880702 473371390 /nfs/dbraw/zinc/37/13/90/473371390.db2.gz PMYOYHDUEQCUBU-WBMJQRKESA-N 2 1 329.423 2.783 20 30 EFEDMP C#Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000077201336 472471390 /nfs/dbraw/zinc/47/13/90/472471390.db2.gz RFXARVIUBZMWOZ-LJQANCHMSA-N 2 1 342.487 2.548 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776064 472608831 /nfs/dbraw/zinc/60/88/31/472608831.db2.gz CKTUSEMUSJQOFS-MOPGFXCFSA-N 2 1 348.535 2.565 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC(C)C)cc1OC ZINC000130831560 472630498 /nfs/dbraw/zinc/63/04/98/472630498.db2.gz UXBFRELBQVITQT-OAHLLOKOSA-N 2 1 334.464 2.551 20 30 EFEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166490 472659148 /nfs/dbraw/zinc/65/91/48/472659148.db2.gz YRSXRLDFZFWJCD-KRWDZBQOSA-N 2 1 332.492 2.879 20 30 EFEDMP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072759286 472711962 /nfs/dbraw/zinc/71/19/62/472711962.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759286 472711967 /nfs/dbraw/zinc/71/19/67/472711967.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000072759286 472711973 /nfs/dbraw/zinc/71/19/73/472711973.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 2 1 328.460 2.693 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157346603 472811065 /nfs/dbraw/zinc/81/10/65/472811065.db2.gz MSAXLDHFKSGCSM-UYAOXDASSA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157346603 472811072 /nfs/dbraw/zinc/81/10/72/472811072.db2.gz MSAXLDHFKSGCSM-UYAOXDASSA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(CC)CC1 ZINC000106388547 472847133 /nfs/dbraw/zinc/84/71/33/472847133.db2.gz AHMDTGVJNNADOH-LJQANCHMSA-N 2 1 332.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000106388547 472847140 /nfs/dbraw/zinc/84/71/40/472847140.db2.gz AHMDTGVJNNADOH-LJQANCHMSA-N 2 1 332.488 2.571 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913766 472988161 /nfs/dbraw/zinc/98/81/61/472988161.db2.gz JWPXWSJVKLNCCA-YQVWRLOYSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913766 472988163 /nfs/dbraw/zinc/98/81/63/472988163.db2.gz JWPXWSJVKLNCCA-YQVWRLOYSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134913766 472988166 /nfs/dbraw/zinc/98/81/66/472988166.db2.gz JWPXWSJVKLNCCA-YQVWRLOYSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134913766 472988168 /nfs/dbraw/zinc/98/81/68/472988168.db2.gz JWPXWSJVKLNCCA-YQVWRLOYSA-N 2 1 333.520 2.748 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923962 472990545 /nfs/dbraw/zinc/99/05/45/472990545.db2.gz HFBJEBJKLBUFKD-RLLQIKCJSA-N 2 1 325.456 2.540 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923962 472990552 /nfs/dbraw/zinc/99/05/52/472990552.db2.gz HFBJEBJKLBUFKD-RLLQIKCJSA-N 2 1 325.456 2.540 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923962 472990559 /nfs/dbraw/zinc/99/05/59/472990559.db2.gz HFBJEBJKLBUFKD-RLLQIKCJSA-N 2 1 325.456 2.540 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000160127507 473090330 /nfs/dbraw/zinc/09/03/30/473090330.db2.gz KRECIITYRBXVKZ-DJIMGWMZSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000160127507 473090337 /nfs/dbraw/zinc/09/03/37/473090337.db2.gz KRECIITYRBXVKZ-DJIMGWMZSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160157780 473092793 /nfs/dbraw/zinc/09/27/93/473092793.db2.gz HBMBVPJPKBWBAI-LFEHRJTNSA-N 2 1 344.478 2.984 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066704200 473140979 /nfs/dbraw/zinc/14/09/79/473140979.db2.gz JEFYCGFQJQGBHV-GOSISDBHSA-N 2 1 336.524 2.591 20 30 EFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000125419477 473406464 /nfs/dbraw/zinc/40/64/64/473406464.db2.gz YGMBJUJSCNVCBO-UHFFFAOYSA-N 2 1 341.434 2.805 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748426 473504404 /nfs/dbraw/zinc/50/44/04/473504404.db2.gz IXRDKRLNCLQTLS-BZSNNMDCSA-N 2 1 333.520 2.818 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748426 473504410 /nfs/dbraw/zinc/50/44/10/473504410.db2.gz IXRDKRLNCLQTLS-BZSNNMDCSA-N 2 1 333.520 2.818 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782257 473512413 /nfs/dbraw/zinc/51/24/13/473512413.db2.gz NWNVBBBTDGFPTC-NQIIRXRSSA-N 2 1 340.515 2.996 20 30 EFEDMP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000172116519 473526763 /nfs/dbraw/zinc/52/67/63/473526763.db2.gz LCGFZCZYAZKKTF-HDICACEKSA-N 2 1 330.472 2.678 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172575439 473645683 /nfs/dbraw/zinc/64/56/83/473645683.db2.gz LUSDXHSMQGYQDS-LJQANCHMSA-N 2 1 340.471 2.837 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281770507 473831417 /nfs/dbraw/zinc/83/14/17/473831417.db2.gz MFJONPILQGOSLZ-UHFFFAOYSA-N 2 1 345.535 2.564 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000264078113 473948174 /nfs/dbraw/zinc/94/81/74/473948174.db2.gz GJWXTJMVNOQXSY-UHFFFAOYSA-N 2 1 338.455 2.870 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264081340 473948240 /nfs/dbraw/zinc/94/82/40/473948240.db2.gz ULZKRVRTHSXQFZ-UHFFFAOYSA-N 2 1 328.460 2.985 20 30 EFEDMP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264131858 473952225 /nfs/dbraw/zinc/95/22/25/473952225.db2.gz UCCMQOYZPYGGDM-IYBDPMFKSA-N 2 1 332.492 2.500 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000264125528 473952303 /nfs/dbraw/zinc/95/23/03/473952303.db2.gz SBTAKTWJZMNNFI-HZPDHXFCSA-N 2 1 332.492 2.500 20 30 EFEDMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865314 473988010 /nfs/dbraw/zinc/98/80/10/473988010.db2.gz LGGDQHIXYTXJIN-WMLDXEAASA-N 2 1 346.862 2.566 20 30 EFEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174221768 474008548 /nfs/dbraw/zinc/00/85/48/474008548.db2.gz YXISMUCAOQJYIW-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174221768 474008556 /nfs/dbraw/zinc/00/85/56/474008556.db2.gz YXISMUCAOQJYIW-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000182187652 474118981 /nfs/dbraw/zinc/11/89/81/474118981.db2.gz SCQXGEBXKCFYKJ-MRXNPFEDSA-N 2 1 346.471 2.757 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622855 474219849 /nfs/dbraw/zinc/21/98/49/474219849.db2.gz VAHXIDVIFXXFSR-IAGOWNOFSA-N 2 1 348.535 2.589 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622893 474219939 /nfs/dbraw/zinc/21/99/39/474219939.db2.gz VAHXIDVIFXXFSR-SJORKVTESA-N 2 1 348.535 2.589 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000271509003 474575435 /nfs/dbraw/zinc/57/54/35/474575435.db2.gz RZELUMSTVBXUGZ-PXNSSMCTSA-N 2 1 345.487 2.816 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C(C)C ZINC000272859342 474627795 /nfs/dbraw/zinc/62/77/95/474627795.db2.gz VEBOUQHYSCMCTE-MJGOQNOKSA-N 2 1 348.535 2.635 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654385 474757784 /nfs/dbraw/zinc/75/77/84/474757784.db2.gz SSITYCIWHRWDNN-MSOLQXFVSA-N 2 1 330.472 2.850 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1F ZINC000340936591 474794592 /nfs/dbraw/zinc/79/45/92/474794592.db2.gz HJPGWQGNVDZAKV-UHFFFAOYSA-N 2 1 331.435 2.632 20 30 EFEDMP CN(C(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000273350527 474855312 /nfs/dbraw/zinc/85/53/12/474855312.db2.gz PXHDLFZUSDATOC-UHFFFAOYSA-N 2 1 326.444 2.821 20 30 EFEDMP CN(C(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000273350527 474855318 /nfs/dbraw/zinc/85/53/18/474855318.db2.gz PXHDLFZUSDATOC-UHFFFAOYSA-N 2 1 326.444 2.821 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509635 475015213 /nfs/dbraw/zinc/01/52/13/475015213.db2.gz HWSPJYCJFIXICJ-NJYVYQBISA-N 2 1 338.499 2.571 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509635 475015219 /nfs/dbraw/zinc/01/52/19/475015219.db2.gz HWSPJYCJFIXICJ-NJYVYQBISA-N 2 1 338.499 2.571 20 30 EFEDMP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000328590429 475034131 /nfs/dbraw/zinc/03/41/31/475034131.db2.gz NXAXEIQDHOVKNU-IBGZPJMESA-N 2 1 345.487 2.638 20 30 EFEDMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000328590429 475034140 /nfs/dbraw/zinc/03/41/40/475034140.db2.gz NXAXEIQDHOVKNU-IBGZPJMESA-N 2 1 345.487 2.638 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000294884618 475090694 /nfs/dbraw/zinc/09/06/94/475090694.db2.gz DPEPEEBPYAOYCF-KRWDZBQOSA-N 2 1 340.471 2.605 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000294884618 475090701 /nfs/dbraw/zinc/09/07/01/475090701.db2.gz DPEPEEBPYAOYCF-KRWDZBQOSA-N 2 1 340.471 2.605 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000295066104 475102671 /nfs/dbraw/zinc/10/26/71/475102671.db2.gz ROCILGKPNMYLMY-LLVKDONJSA-N 2 1 328.229 2.589 20 30 EFEDMP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000329689839 475112980 /nfs/dbraw/zinc/11/29/80/475112980.db2.gz CRLCNSJASWCDAV-QGZVFWFLSA-N 2 1 347.507 2.871 20 30 EFEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000329689839 475112990 /nfs/dbraw/zinc/11/29/90/475112990.db2.gz CRLCNSJASWCDAV-QGZVFWFLSA-N 2 1 347.507 2.871 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@@H+]1C ZINC000329908884 475160610 /nfs/dbraw/zinc/16/06/10/475160610.db2.gz UQIKCWFVIXEWFZ-VXGBXAGGSA-N 2 1 349.385 2.992 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@H+]1C ZINC000329908884 475160618 /nfs/dbraw/zinc/16/06/18/475160618.db2.gz UQIKCWFVIXEWFZ-VXGBXAGGSA-N 2 1 349.385 2.992 20 30 EFEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059684 475161461 /nfs/dbraw/zinc/16/14/61/475161461.db2.gz YNOKTRNWBULMCL-CJNGLKHVSA-N 2 1 340.874 2.951 20 30 EFEDMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2cncc2C1 ZINC000329932735 475165674 /nfs/dbraw/zinc/16/56/74/475165674.db2.gz PRMCZWKDMKGTGP-ZWKOTPCHSA-N 2 1 338.455 2.924 20 30 EFEDMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)nc2)CC1 ZINC000330316108 475226115 /nfs/dbraw/zinc/22/61/15/475226115.db2.gz ZEDLYELPLKYZSU-MRXNPFEDSA-N 2 1 345.491 2.686 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000361340952 475368469 /nfs/dbraw/zinc/36/84/69/475368469.db2.gz KRECIITYRBXVKZ-PVAVHDDUSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000361340952 475368478 /nfs/dbraw/zinc/36/84/78/475368478.db2.gz KRECIITYRBXVKZ-PVAVHDDUSA-N 2 1 330.451 2.738 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413865 475948934 /nfs/dbraw/zinc/94/89/34/475948934.db2.gz QXLWJBSVQZKEST-FQEVSTJZSA-N 2 1 326.488 2.553 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159495 476074140 /nfs/dbraw/zinc/07/41/40/476074140.db2.gz MOTFYBWEBOFLFR-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159495 476074145 /nfs/dbraw/zinc/07/41/45/476074145.db2.gz MOTFYBWEBOFLFR-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159495 476074156 /nfs/dbraw/zinc/07/41/56/476074156.db2.gz MOTFYBWEBOFLFR-GOSISDBHSA-N 2 1 340.471 2.551 20 30 EFEDMP CC1CCN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000303255479 476225927 /nfs/dbraw/zinc/22/59/27/476225927.db2.gz GISQWJPBTYZFOH-UHFFFAOYSA-N 2 1 328.504 2.870 20 30 EFEDMP CC1CCN(C(=[NH2+])NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000303255479 476225935 /nfs/dbraw/zinc/22/59/35/476225935.db2.gz GISQWJPBTYZFOH-UHFFFAOYSA-N 2 1 328.504 2.870 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000357299683 476321367 /nfs/dbraw/zinc/32/13/67/476321367.db2.gz FUHIMOPGIBFLCY-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000357299683 476321369 /nfs/dbraw/zinc/32/13/69/476321369.db2.gz FUHIMOPGIBFLCY-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000357299683 476321370 /nfs/dbraw/zinc/32/13/70/476321370.db2.gz FUHIMOPGIBFLCY-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839686 476419915 /nfs/dbraw/zinc/41/99/15/476419915.db2.gz IZEHPOFLJCUPTQ-NRFANRHFSA-N 2 1 340.515 2.943 20 30 EFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162702 476459001 /nfs/dbraw/zinc/45/90/01/476459001.db2.gz OCUJWWNKEIRUIZ-QGZVFWFLSA-N 2 1 346.519 2.525 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370708527 476944828 /nfs/dbraw/zinc/94/48/28/476944828.db2.gz QBGPLKUDJBJPFD-WIYYLYMNSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370708527 476944836 /nfs/dbraw/zinc/94/48/36/476944836.db2.gz QBGPLKUDJBJPFD-WIYYLYMNSA-N 2 1 343.515 2.709 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039060 476965637 /nfs/dbraw/zinc/96/56/37/476965637.db2.gz GSGSRGZGQOWHHM-UHFFFAOYSA-N 2 1 345.512 2.979 20 30 EFEDMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000447531624 477006802 /nfs/dbraw/zinc/00/68/02/477006802.db2.gz RWUPHUCCTGBMAM-IBGZPJMESA-N 2 1 342.487 2.542 20 30 EFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126026 477299206 /nfs/dbraw/zinc/29/92/06/477299206.db2.gz BAQXXDHXANEBHS-YJBOKZPZSA-N 2 1 328.460 2.878 20 30 EFEDMP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424160147 477312813 /nfs/dbraw/zinc/31/28/13/477312813.db2.gz TUUPYKDMLMGCTQ-NZSAHSFTSA-N 2 1 342.487 2.692 20 30 EFEDMP C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371468558 477338146 /nfs/dbraw/zinc/33/81/46/477338146.db2.gz BCLQFWSWGLPCTM-SESVDKBCSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371468558 477338151 /nfs/dbraw/zinc/33/81/51/477338151.db2.gz BCLQFWSWGLPCTM-SESVDKBCSA-N 2 1 342.483 2.772 20 30 EFEDMP C=CCn1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000424294673 477359983 /nfs/dbraw/zinc/35/99/83/477359983.db2.gz LIAJTCYMLDFCQW-UHFFFAOYSA-N 2 1 339.487 2.997 20 30 EFEDMP C[C@H]1CN(c2cccc(Cl)c2C#N)CC[N@@H+]1C1CCN(C)CC1 ZINC000450420572 477594200 /nfs/dbraw/zinc/59/42/00/477594200.db2.gz QWURRYJGUYUYEG-AWEZNQCLSA-N 2 1 332.879 2.816 20 30 EFEDMP C[C@H]1CN(c2cccc(Cl)c2C#N)CC[N@H+]1C1CCN(C)CC1 ZINC000450420572 477594206 /nfs/dbraw/zinc/59/42/06/477594206.db2.gz QWURRYJGUYUYEG-AWEZNQCLSA-N 2 1 332.879 2.816 20 30 EFEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C1 ZINC000372022390 477603366 /nfs/dbraw/zinc/60/33/66/477603366.db2.gz UJFFAXWJCBPUHQ-LJQANCHMSA-N 2 1 340.515 2.700 20 30 EFEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C1 ZINC000372022390 477603368 /nfs/dbraw/zinc/60/33/68/477603368.db2.gz UJFFAXWJCBPUHQ-LJQANCHMSA-N 2 1 340.515 2.700 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090629 477669253 /nfs/dbraw/zinc/66/92/53/477669253.db2.gz WYGUQCQYCZUMHK-VRVMVEOCSA-N 2 1 342.487 2.962 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090633 477669793 /nfs/dbraw/zinc/66/97/93/477669793.db2.gz WYGUQCQYCZUMHK-ZBPHDNMCSA-N 2 1 342.487 2.962 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420328884 477698090 /nfs/dbraw/zinc/69/80/90/477698090.db2.gz NHIRRSAGIUTXMK-MSOLQXFVSA-N 2 1 329.488 2.795 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774451 /nfs/dbraw/zinc/77/44/51/477774451.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774454 /nfs/dbraw/zinc/77/44/54/477774454.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774459 /nfs/dbraw/zinc/77/44/59/477774459.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774464 /nfs/dbraw/zinc/77/44/64/477774464.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 2 1 334.467 2.851 20 30 EFEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000558403428 477863891 /nfs/dbraw/zinc/86/38/91/477863891.db2.gz NBHDQKBIUMBUOV-KRWDZBQOSA-N 2 1 337.471 2.779 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000482165950 478027338 /nfs/dbraw/zinc/02/73/38/478027338.db2.gz RYSFPKXQIVHDCN-YQVWRLOYSA-N 2 1 336.524 2.531 20 30 EFEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000459794331 478097352 /nfs/dbraw/zinc/09/73/52/478097352.db2.gz UJVXTXYTSHTISN-SFHVURJKSA-N 2 1 326.488 2.849 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000518249736 478154006 /nfs/dbraw/zinc/15/40/06/478154006.db2.gz ZXYVOMLYQCRPFQ-GOSISDBHSA-N 2 1 340.496 2.698 20 30 EFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000518249737 478154157 /nfs/dbraw/zinc/15/41/57/478154157.db2.gz ZXYVOMLYQCRPFQ-SFHVURJKSA-N 2 1 340.496 2.698 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000579703163 478346646 /nfs/dbraw/zinc/34/66/46/478346646.db2.gz CHDNKQXRSAOITK-PZJWPPBQSA-N 2 1 344.499 2.682 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000579703164 478346793 /nfs/dbraw/zinc/34/67/93/478346793.db2.gz CHDNKQXRSAOITK-TZIWHRDSSA-N 2 1 344.499 2.682 20 30 EFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)s2)c2cccs2)CC1 ZINC000539383831 478413476 /nfs/dbraw/zinc/41/34/76/478413476.db2.gz ZQISNHDWUHCHCF-MRXNPFEDSA-N 2 1 346.525 2.760 20 30 EFEDMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594957109 478604467 /nfs/dbraw/zinc/60/44/67/478604467.db2.gz NOBVQDRLKMTQBP-FQEVSTJZSA-N 2 1 340.515 2.985 20 30 EFEDMP C=CCOc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000563809852 478636480 /nfs/dbraw/zinc/63/64/80/478636480.db2.gz ANVGQSOGKSFWET-UHFFFAOYSA-N 2 1 343.265 2.803 20 30 EFEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000563809852 478636492 /nfs/dbraw/zinc/63/64/92/478636492.db2.gz ANVGQSOGKSFWET-UHFFFAOYSA-N 2 1 343.265 2.803 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000598959582 479101435 /nfs/dbraw/zinc/10/14/35/479101435.db2.gz CCRGYXGQVWDQOU-UHFFFAOYSA-N 2 1 333.476 2.938 20 30 EFEDMP C(#CC[N@H+]1CC[C@@H](c2ccncc2)C1)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000567246151 479104227 /nfs/dbraw/zinc/10/42/27/479104227.db2.gz GYINUVGDTJYJLO-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@@H+]1CC[C@H](c2ccncc2)C1)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000567246151 479104233 /nfs/dbraw/zinc/10/42/33/479104233.db2.gz GYINUVGDTJYJLO-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP C(#CC[N@H+]1CC[C@H](c2ccncc2)C1)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000567246151 479104238 /nfs/dbraw/zinc/10/42/38/479104238.db2.gz GYINUVGDTJYJLO-SZPZYZBQSA-N 2 1 346.478 2.759 20 30 EFEDMP C=CCC(C)(C)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568222487 479121395 /nfs/dbraw/zinc/12/13/95/479121395.db2.gz RWTMXTXKSCLRAU-UHFFFAOYSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000568412210 479125232 /nfs/dbraw/zinc/12/52/32/479125232.db2.gz OHDQOVXFXXMOFA-QGZVFWFLSA-N 2 1 335.879 2.709 20 30 EFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC2)oc1C ZINC000554551443 479157845 /nfs/dbraw/zinc/15/78/45/479157845.db2.gz DVVKBYRCYZVPEO-QGZVFWFLSA-N 2 1 329.448 2.537 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000574392812 479276985 /nfs/dbraw/zinc/27/69/85/479276985.db2.gz HTDVTVWQTROCKM-FQEVSTJZSA-N 2 1 346.515 2.982 20 30 EFEDMP CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321868 479293585 /nfs/dbraw/zinc/29/35/85/479293585.db2.gz JCBBLJIQDOCVTN-PMACEKPBSA-N 2 1 326.488 2.643 20 30 EFEDMP C[C@@H](CCC#N)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000602508242 479373664 /nfs/dbraw/zinc/37/36/64/479373664.db2.gz LJVYQVFPWJSNPU-AZUAARDMSA-N 2 1 328.504 2.895 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](C)CCC#N)cc2)CC1 ZINC000602512359 479376715 /nfs/dbraw/zinc/37/67/15/479376715.db2.gz AQYKIWBTZGPWEE-GOSISDBHSA-N 2 1 328.504 2.854 20 30 EFEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662053 479377460 /nfs/dbraw/zinc/37/74/60/479377460.db2.gz XKPVHOAYWAZYQX-QGZVFWFLSA-N 2 1 344.503 2.578 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723718 479435150 /nfs/dbraw/zinc/43/51/50/479435150.db2.gz YBOMRUQIXJUBKN-JXFKEZNVSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723718 479435154 /nfs/dbraw/zinc/43/51/54/479435154.db2.gz YBOMRUQIXJUBKN-JXFKEZNVSA-N 2 1 326.488 2.595 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000578315669 479604534 /nfs/dbraw/zinc/60/45/34/479604534.db2.gz AWGFFIPIMWOFGN-FQEVSTJZSA-N 2 1 340.467 2.820 20 30 EFEDMP C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061157 480182459 /nfs/dbraw/zinc/18/24/59/480182459.db2.gz BFYGYPFKRORHTM-UHFFFAOYSA-N 2 1 331.504 2.995 20 30 EFEDMP Cn1c[nH+]cc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000614284998 480255884 /nfs/dbraw/zinc/25/58/84/480255884.db2.gz VQJSGTZIPRKESW-UHFFFAOYSA-N 2 1 334.427 2.530 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705494 481272415 /nfs/dbraw/zinc/27/24/15/481272415.db2.gz JKJXGEJGHBQLPJ-NSHGMRRFSA-N 2 1 330.472 2.970 20 30 EFEDMP CC(C)O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198871 /nfs/dbraw/zinc/19/88/71/482198871.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 2 1 336.520 2.769 20 30 EFEDMP CC(C)O[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198875 /nfs/dbraw/zinc/19/88/75/482198875.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 2 1 336.520 2.769 20 30 EFEDMP CC(C)O[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198880 /nfs/dbraw/zinc/19/88/80/482198880.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 2 1 336.520 2.769 20 30 EFEDMP CC(C)O[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703245 482201336 /nfs/dbraw/zinc/20/13/36/482201336.db2.gz YATLFPLSORPCPA-PMACEKPBSA-N 2 1 336.520 2.769 20 30 EFEDMP C=CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239017 482387140 /nfs/dbraw/zinc/38/71/40/482387140.db2.gz BUVQQFPSVZIIBH-ICSRJNTNSA-N 2 1 332.488 2.800 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239017 482387143 /nfs/dbraw/zinc/38/71/43/482387143.db2.gz BUVQQFPSVZIIBH-ICSRJNTNSA-N 2 1 332.488 2.800 20 30 EFEDMP C=CC[N@@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242502 482387542 /nfs/dbraw/zinc/38/75/42/482387542.db2.gz BLYYGOYZHJXGTG-DLBZAZTESA-N 2 1 331.460 2.537 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000153048596 526606945 /nfs/dbraw/zinc/60/69/45/526606945.db2.gz HVVWBMVEOHCFTA-MRXNPFEDSA-N 2 1 325.460 2.958 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000191478799 528863567 /nfs/dbraw/zinc/86/35/67/528863567.db2.gz YXTISECPRQMDON-GOSISDBHSA-N 2 1 326.444 2.763 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000191478799 528863570 /nfs/dbraw/zinc/86/35/70/528863570.db2.gz YXTISECPRQMDON-GOSISDBHSA-N 2 1 326.444 2.763 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000657750837 547272200 /nfs/dbraw/zinc/27/22/00/547272200.db2.gz FUWOGTADCAORPB-GOSISDBHSA-N 2 1 346.471 2.603 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000764569127 576473202 /nfs/dbraw/zinc/47/32/02/576473202.db2.gz DOPFUOARFKVJBS-UHFFFAOYSA-N 2 1 341.455 2.646 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000764569127 576473204 /nfs/dbraw/zinc/47/32/04/576473204.db2.gz DOPFUOARFKVJBS-UHFFFAOYSA-N 2 1 341.455 2.646 20 30 EFEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000769514932 577369187 /nfs/dbraw/zinc/36/91/87/577369187.db2.gz MLXBCFLQLBVXEG-IBGZPJMESA-N 2 1 330.472 2.631 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001752707225 1250832880 /nfs/dbraw/zinc/83/28/80/1250832880.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707225 1250832892 /nfs/dbraw/zinc/83/28/92/1250832892.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707225 1250832905 /nfs/dbraw/zinc/83/29/05/1250832905.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683659 1252160675 /nfs/dbraw/zinc/16/06/75/1252160675.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683659 1252160683 /nfs/dbraw/zinc/16/06/83/1252160683.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683659 1252160690 /nfs/dbraw/zinc/16/06/90/1252160690.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001089687429 1252182845 /nfs/dbraw/zinc/18/28/45/1252182845.db2.gz JSIWVJZCOYDWDU-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001089687429 1252182858 /nfs/dbraw/zinc/18/28/58/1252182858.db2.gz JSIWVJZCOYDWDU-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825635 1254747026 /nfs/dbraw/zinc/74/70/26/1254747026.db2.gz VWLYSHLSZAUSRL-SJLPKXTDSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995826613 1254748742 /nfs/dbraw/zinc/74/87/42/1254748742.db2.gz QQQIAUXSEXYAMW-JKSUJKDBSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995903121 1254825506 /nfs/dbraw/zinc/82/55/06/1254825506.db2.gz JVCRZVSTAUPJMW-HZPDHXFCSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995990897 1254921140 /nfs/dbraw/zinc/92/11/40/1254921140.db2.gz CQPQTYFONCKAST-CVEARBPZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996381825 1255264341 /nfs/dbraw/zinc/26/43/41/1255264341.db2.gz ZUOQFGWETKEAQU-HOTGVXAUSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676067 1255724274 /nfs/dbraw/zinc/72/42/74/1255724274.db2.gz LIZBSHSWXQXQCZ-IAGOWNOFSA-N 2 1 349.906 2.868 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436562 1255812194 /nfs/dbraw/zinc/81/21/94/1255812194.db2.gz CSSZTQLVJQDPGL-NVXWUHKLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442611 1255830686 /nfs/dbraw/zinc/83/06/86/1255830686.db2.gz GMGKXYCTZGAQIQ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442611 1255830692 /nfs/dbraw/zinc/83/06/92/1255830692.db2.gz GMGKXYCTZGAQIQ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442611 1255830702 /nfs/dbraw/zinc/83/07/02/1255830702.db2.gz GMGKXYCTZGAQIQ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491950 1255989803 /nfs/dbraw/zinc/98/98/03/1255989803.db2.gz PZZWXBGAQRTAQY-IEBWSBKVSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546689 1256104879 /nfs/dbraw/zinc/10/48/79/1256104879.db2.gz LTDNOZCYZGSGQR-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107576170 1256185035 /nfs/dbraw/zinc/18/50/35/1256185035.db2.gz OSBSGJCSEKVKAN-UYAOXDASSA-N 2 1 344.503 2.909 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107576170 1256185039 /nfs/dbraw/zinc/18/50/39/1256185039.db2.gz OSBSGJCSEKVKAN-UYAOXDASSA-N 2 1 344.503 2.909 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997061873 1256779164 /nfs/dbraw/zinc/77/91/64/1256779164.db2.gz KIHDCWGODIOEID-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997092754 1256855070 /nfs/dbraw/zinc/85/50/70/1256855070.db2.gz ASQPZPGESFBAQS-NZSAHSFTSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997127006 1257015354 /nfs/dbraw/zinc/01/53/54/1257015354.db2.gz IGRFQHVKIVITLE-WBVHZDCISA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997127006 1257015364 /nfs/dbraw/zinc/01/53/64/1257015364.db2.gz IGRFQHVKIVITLE-WBVHZDCISA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997127006 1257015371 /nfs/dbraw/zinc/01/53/71/1257015371.db2.gz IGRFQHVKIVITLE-WBVHZDCISA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405694 1257125445 /nfs/dbraw/zinc/12/54/45/1257125445.db2.gz OYEHBWCLYXJFSD-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405694 1257125448 /nfs/dbraw/zinc/12/54/48/1257125448.db2.gz OYEHBWCLYXJFSD-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405694 1257125451 /nfs/dbraw/zinc/12/54/51/1257125451.db2.gz OYEHBWCLYXJFSD-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413079 1257199371 /nfs/dbraw/zinc/19/93/71/1257199371.db2.gz BACWMFCQOKPHOA-IKGGRYGDSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413079 1257199375 /nfs/dbraw/zinc/19/93/75/1257199375.db2.gz BACWMFCQOKPHOA-IKGGRYGDSA-N 2 1 330.476 2.648 20 30 EFEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997278658 1257323496 /nfs/dbraw/zinc/32/34/96/1257323496.db2.gz IMFWKALNFASKDJ-XLIONFOSSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614064 1258116734 /nfs/dbraw/zinc/11/67/34/1258116734.db2.gz QFBPJAGCOHTTOV-PKOBYXMFSA-N 2 1 335.536 2.757 20 30 EFEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997619080 1258122841 /nfs/dbraw/zinc/12/28/41/1258122841.db2.gz WRTGUVIGHZWJCH-PXNSSMCTSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997624738 1258128203 /nfs/dbraw/zinc/12/82/03/1258128203.db2.gz ZELXYSOWQBJJGB-HKUYNNGSSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997624738 1258128208 /nfs/dbraw/zinc/12/82/08/1258128208.db2.gz ZELXYSOWQBJJGB-HKUYNNGSSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997655377 1258173573 /nfs/dbraw/zinc/17/35/73/1258173573.db2.gz QJVTVUZWZWQBFA-HNNXBMFYSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997727276 1258306207 /nfs/dbraw/zinc/30/62/07/1258306207.db2.gz ZRHRRGSQBIENGJ-HKUYNNGSSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997724088 1258310577 /nfs/dbraw/zinc/31/05/77/1258310577.db2.gz IMFWKALNFASKDJ-FXAWDEMLSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583863 1258787753 /nfs/dbraw/zinc/78/77/53/1258787753.db2.gz GEUMYKVIPRXQOD-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583863 1258787759 /nfs/dbraw/zinc/78/77/59/1258787759.db2.gz GEUMYKVIPRXQOD-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583863 1258787764 /nfs/dbraw/zinc/78/77/64/1258787764.db2.gz GEUMYKVIPRXQOD-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047564 1259023344 /nfs/dbraw/zinc/02/33/44/1259023344.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 1 344.503 2.712 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050909 1259026898 /nfs/dbraw/zinc/02/68/98/1259026898.db2.gz KBUGIBDDVWQJRH-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050909 1259026906 /nfs/dbraw/zinc/02/69/06/1259026906.db2.gz KBUGIBDDVWQJRH-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093252 1259101811 /nfs/dbraw/zinc/10/18/11/1259101811.db2.gz HCJVKWPUAVOWGN-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093252 1259101815 /nfs/dbraw/zinc/10/18/15/1259101815.db2.gz HCJVKWPUAVOWGN-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998101380 1259111703 /nfs/dbraw/zinc/11/17/03/1259111703.db2.gz HOPWXNYQMPCLJS-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101380 1259111705 /nfs/dbraw/zinc/11/17/05/1259111705.db2.gz HOPWXNYQMPCLJS-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101380 1259111707 /nfs/dbraw/zinc/11/17/07/1259111707.db2.gz HOPWXNYQMPCLJS-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112309 1259124616 /nfs/dbraw/zinc/12/46/16/1259124616.db2.gz UDSTYYUIJOIODZ-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112309 1259124621 /nfs/dbraw/zinc/12/46/21/1259124621.db2.gz UDSTYYUIJOIODZ-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998115966 1259131244 /nfs/dbraw/zinc/13/12/44/1259131244.db2.gz MFVFNORCPIAVAR-IRXDYDNUSA-N 2 1 342.487 2.556 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144461 1260171828 /nfs/dbraw/zinc/17/18/28/1260171828.db2.gz QDPRKFFMHCUJPN-LAUBAEHRSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144461 1260171831 /nfs/dbraw/zinc/17/18/31/1260171831.db2.gz QDPRKFFMHCUJPN-LAUBAEHRSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144461 1260171834 /nfs/dbraw/zinc/17/18/34/1260171834.db2.gz QDPRKFFMHCUJPN-LAUBAEHRSA-N 2 1 339.483 2.505 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000999391664 1260589196 /nfs/dbraw/zinc/58/91/96/1260589196.db2.gz NIYYSTXXCLBLFD-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000999391664 1260589199 /nfs/dbraw/zinc/58/91/99/1260589199.db2.gz NIYYSTXXCLBLFD-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031176 1266382746 /nfs/dbraw/zinc/38/27/46/1266382746.db2.gz TVYQRQAZMIRWLG-OAQYLSRUSA-N 2 1 339.483 2.552 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001032726742 1261083516 /nfs/dbraw/zinc/08/35/16/1261083516.db2.gz QFXWVKOFRWEEKG-FHWLQOOXSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726742 1261083523 /nfs/dbraw/zinc/08/35/23/1261083523.db2.gz QFXWVKOFRWEEKG-FHWLQOOXSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726742 1261083530 /nfs/dbraw/zinc/08/35/30/1261083530.db2.gz QFXWVKOFRWEEKG-FHWLQOOXSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159737 1261128955 /nfs/dbraw/zinc/12/89/55/1261128955.db2.gz DUSFIZDNJDIMRE-SJLPKXTDSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904590 1261724479 /nfs/dbraw/zinc/72/44/79/1261724479.db2.gz LFTJXCQNAIVTRI-ZCNNSNEGSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904590 1261724485 /nfs/dbraw/zinc/72/44/85/1261724485.db2.gz LFTJXCQNAIVTRI-ZCNNSNEGSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946904976 1261726182 /nfs/dbraw/zinc/72/61/82/1261726182.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904976 1261726191 /nfs/dbraw/zinc/72/61/91/1261726191.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904976 1261726195 /nfs/dbraw/zinc/72/61/95/1261726195.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799737 1261753912 /nfs/dbraw/zinc/75/39/12/1261753912.db2.gz KDSBLSPXWMIROJ-OALUTQOASA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739862 1262285603 /nfs/dbraw/zinc/28/56/03/1262285603.db2.gz RSUHPYANYDPBIU-JKSUJKDBSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084604074 1264068829 /nfs/dbraw/zinc/06/88/29/1264068829.db2.gz YUTVBXGZAMTJNZ-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084604074 1264068838 /nfs/dbraw/zinc/06/88/38/1264068838.db2.gz YUTVBXGZAMTJNZ-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084604074 1264068846 /nfs/dbraw/zinc/06/88/46/1264068846.db2.gz YUTVBXGZAMTJNZ-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768062 1264347494 /nfs/dbraw/zinc/34/74/94/1264347494.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768062 1264347500 /nfs/dbraw/zinc/34/75/00/1264347500.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768062 1264347509 /nfs/dbraw/zinc/34/75/09/1264347509.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768908 1264367845 /nfs/dbraw/zinc/36/78/45/1264367845.db2.gz JCXWITDZZRHLPQ-QFUCXCTJSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768908 1264367853 /nfs/dbraw/zinc/36/78/53/1264367853.db2.gz JCXWITDZZRHLPQ-QFUCXCTJSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768908 1264367862 /nfs/dbraw/zinc/36/78/62/1264367862.db2.gz JCXWITDZZRHLPQ-QFUCXCTJSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938984 1264712281 /nfs/dbraw/zinc/71/22/81/1264712281.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938984 1264712287 /nfs/dbraw/zinc/71/22/87/1264712287.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938984 1264712297 /nfs/dbraw/zinc/71/22/97/1264712297.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958089 1264763010 /nfs/dbraw/zinc/76/30/10/1264763010.db2.gz KUQDOIRRTPQTIN-SQNIBIBYSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958089 1264763020 /nfs/dbraw/zinc/76/30/20/1264763020.db2.gz KUQDOIRRTPQTIN-SQNIBIBYSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958360 1264763807 /nfs/dbraw/zinc/76/38/07/1264763807.db2.gz WMVWBYYESSXJFW-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958360 1264763816 /nfs/dbraw/zinc/76/38/16/1264763816.db2.gz WMVWBYYESSXJFW-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958360 1264763823 /nfs/dbraw/zinc/76/38/23/1264763823.db2.gz WMVWBYYESSXJFW-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962635 1264767928 /nfs/dbraw/zinc/76/79/28/1264767928.db2.gz ZFWYWRJLXWBDKR-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962635 1264767938 /nfs/dbraw/zinc/76/79/38/1264767938.db2.gz ZFWYWRJLXWBDKR-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962635 1264767947 /nfs/dbraw/zinc/76/79/47/1264767947.db2.gz ZFWYWRJLXWBDKR-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962635 1264767958 /nfs/dbraw/zinc/76/79/58/1264767958.db2.gz ZFWYWRJLXWBDKR-ZACQAIPSSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101307 1265144708 /nfs/dbraw/zinc/14/47/08/1265144708.db2.gz DCVXWDKAJUFVSW-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101307 1265144712 /nfs/dbraw/zinc/14/47/12/1265144712.db2.gz DCVXWDKAJUFVSW-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083104 1266450904 /nfs/dbraw/zinc/45/09/04/1266450904.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083104 1266450907 /nfs/dbraw/zinc/45/09/07/1266450907.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083104 1266450911 /nfs/dbraw/zinc/45/09/11/1266450911.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273038550 1266533208 /nfs/dbraw/zinc/53/32/08/1266533208.db2.gz FDRRZQLEOUCKSO-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccccc1C[N+](C)(C)CC ZINC001171069435 1278296052 /nfs/dbraw/zinc/29/60/52/1278296052.db2.gz JKIJKLXVLARIJZ-SFHVURJKSA-N 2 1 348.511 2.922 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444921 1267016354 /nfs/dbraw/zinc/01/63/54/1267016354.db2.gz CENQQWCKWBDFNO-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444921 1267016362 /nfs/dbraw/zinc/01/63/62/1267016362.db2.gz CENQQWCKWBDFNO-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444921 1267016373 /nfs/dbraw/zinc/01/63/73/1267016373.db2.gz CENQQWCKWBDFNO-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456324 1267083245 /nfs/dbraw/zinc/08/32/45/1267083245.db2.gz DLUMMOMSMFJEKK-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456786 1267084687 /nfs/dbraw/zinc/08/46/87/1267084687.db2.gz HZKQYRYGJNPJEV-MSOLQXFVSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456786 1267084698 /nfs/dbraw/zinc/08/46/98/1267084698.db2.gz HZKQYRYGJNPJEV-MSOLQXFVSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457968 1267093504 /nfs/dbraw/zinc/09/35/04/1267093504.db2.gz MULUAOZGCMTARM-OALUTQOASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085306975 1267106017 /nfs/dbraw/zinc/10/60/17/1267106017.db2.gz ZKWUHBYRHBVELH-GVDBMIGSSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004480529 1267135893 /nfs/dbraw/zinc/13/58/93/1267135893.db2.gz KHEKOSOZZCBKJX-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480529 1267135901 /nfs/dbraw/zinc/13/59/01/1267135901.db2.gz KHEKOSOZZCBKJX-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480529 1267135908 /nfs/dbraw/zinc/13/59/08/1267135908.db2.gz KHEKOSOZZCBKJX-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520959 1267211111 /nfs/dbraw/zinc/21/11/11/1267211111.db2.gz DCWGMFFXGCDNHR-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004519895 1267232847 /nfs/dbraw/zinc/23/28/47/1267232847.db2.gz FYQIPJUTGYJSPA-SFHVURJKSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540520 1267254110 /nfs/dbraw/zinc/25/41/10/1267254110.db2.gz RJWLVSHZTZMRKF-RBUKOAKNSA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004547027 1267268978 /nfs/dbraw/zinc/26/89/78/1267268978.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004547027 1267268988 /nfs/dbraw/zinc/26/89/88/1267268988.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004547027 1267268997 /nfs/dbraw/zinc/26/89/97/1267268997.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004539546 1267281405 /nfs/dbraw/zinc/28/14/05/1267281405.db2.gz KCTWHRCAWFELPB-RTBURBONSA-N 2 1 335.536 2.852 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570389 1267306602 /nfs/dbraw/zinc/30/66/02/1267306602.db2.gz RWSKJOCIALVXTL-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004576294 1267315957 /nfs/dbraw/zinc/31/59/57/1267315957.db2.gz FFPMTSOAVOHBJF-GOSISDBHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004576294 1267315964 /nfs/dbraw/zinc/31/59/64/1267315964.db2.gz FFPMTSOAVOHBJF-GOSISDBHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004593393 1267354633 /nfs/dbraw/zinc/35/46/33/1267354633.db2.gz RZYZJXPFAOLZPM-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608013 1267394362 /nfs/dbraw/zinc/39/43/62/1267394362.db2.gz XHECDUAWIMWITG-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617154 1267410495 /nfs/dbraw/zinc/41/04/95/1267410495.db2.gz PBNULOVFSGEWOO-QGZVFWFLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004617967 1267411596 /nfs/dbraw/zinc/41/15/96/1267411596.db2.gz UYTJJAJLVBXEIB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004617967 1267411598 /nfs/dbraw/zinc/41/15/98/1267411598.db2.gz UYTJJAJLVBXEIB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004617967 1267411602 /nfs/dbraw/zinc/41/16/02/1267411602.db2.gz UYTJJAJLVBXEIB-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619891 1267413962 /nfs/dbraw/zinc/41/39/62/1267413962.db2.gz NGSGTGRUVWQKOC-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619891 1267413967 /nfs/dbraw/zinc/41/39/67/1267413967.db2.gz NGSGTGRUVWQKOC-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004620847 1267416317 /nfs/dbraw/zinc/41/63/17/1267416317.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004620847 1267416319 /nfs/dbraw/zinc/41/63/19/1267416319.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004620847 1267416321 /nfs/dbraw/zinc/41/63/21/1267416321.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC[C@@H]2C1 ZINC000946638513 1267431689 /nfs/dbraw/zinc/43/16/89/1267431689.db2.gz NWXOFGBMRNJQMM-HDICACEKSA-N 2 1 344.503 2.673 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638524 1267431942 /nfs/dbraw/zinc/43/19/42/1267431942.db2.gz OUJCYZJHZHYQLG-KDURUIRLSA-N 2 1 345.531 2.609 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085648117 1268133113 /nfs/dbraw/zinc/13/31/13/1268133113.db2.gz DFTGCKWFMLDPDT-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085648117 1268133117 /nfs/dbraw/zinc/13/31/17/1268133117.db2.gz DFTGCKWFMLDPDT-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085648117 1268133120 /nfs/dbraw/zinc/13/31/20/1268133120.db2.gz DFTGCKWFMLDPDT-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085648117 1268133123 /nfs/dbraw/zinc/13/31/23/1268133123.db2.gz DFTGCKWFMLDPDT-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685752 1268195347 /nfs/dbraw/zinc/19/53/47/1268195347.db2.gz AAMQTILEUKNDBR-QGZVFWFLSA-N 2 1 326.444 2.755 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781748 1268502582 /nfs/dbraw/zinc/50/25/82/1268502582.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781748 1268502589 /nfs/dbraw/zinc/50/25/89/1268502589.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781748 1268502600 /nfs/dbraw/zinc/50/26/00/1268502600.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128073 1268685691 /nfs/dbraw/zinc/68/56/91/1268685691.db2.gz NBOZATBBHINLEJ-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366666 1268951207 /nfs/dbraw/zinc/95/12/07/1268951207.db2.gz YACBTTNCXZWWJR-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366666 1268951212 /nfs/dbraw/zinc/95/12/12/1268951212.db2.gz YACBTTNCXZWWJR-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366666 1268951220 /nfs/dbraw/zinc/95/12/20/1268951220.db2.gz YACBTTNCXZWWJR-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417621 1269090268 /nfs/dbraw/zinc/09/02/68/1269090268.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417621 1269090274 /nfs/dbraw/zinc/09/02/74/1269090274.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417621 1269090280 /nfs/dbraw/zinc/09/02/80/1269090280.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006279865 1269645046 /nfs/dbraw/zinc/64/50/46/1269645046.db2.gz UKLVWVNTKGUEHH-LJQANCHMSA-N 2 1 333.520 2.587 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682547 1278502945 /nfs/dbraw/zinc/50/29/45/1278502945.db2.gz HHYAEVRYXWTVDD-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682548 1278503590 /nfs/dbraw/zinc/50/35/90/1278503590.db2.gz HHYAEVRYXWTVDD-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283720 1269783779 /nfs/dbraw/zinc/78/37/79/1269783779.db2.gz KYUFFGVJOBGEFG-NVXWUHKLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832468 1270295816 /nfs/dbraw/zinc/29/58/16/1270295816.db2.gz FWPIRSSEFDTUAF-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832468 1270295821 /nfs/dbraw/zinc/29/58/21/1270295821.db2.gz FWPIRSSEFDTUAF-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832468 1270295830 /nfs/dbraw/zinc/29/58/30/1270295830.db2.gz FWPIRSSEFDTUAF-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835646 1270308030 /nfs/dbraw/zinc/30/80/30/1270308030.db2.gz KHIQXSKNCRGTSY-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835646 1270308040 /nfs/dbraw/zinc/30/80/40/1270308040.db2.gz KHIQXSKNCRGTSY-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835646 1270308045 /nfs/dbraw/zinc/30/80/45/1270308045.db2.gz KHIQXSKNCRGTSY-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395066 1270333449 /nfs/dbraw/zinc/33/34/49/1270333449.db2.gz HIFOUPFCIJIOGC-SFHVURJKSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990798 1270786460 /nfs/dbraw/zinc/78/64/60/1270786460.db2.gz XTULPFUQSMLERQ-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004744 1270859109 /nfs/dbraw/zinc/85/91/09/1270859109.db2.gz QNDCZIXODLDXDC-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050369 1270967622 /nfs/dbraw/zinc/96/76/22/1270967622.db2.gz KNYCNFVDIUDNFX-QGZVFWFLSA-N 2 1 345.487 2.681 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502397 1271027750 /nfs/dbraw/zinc/02/77/50/1271027750.db2.gz DXXPJCQEKLAMTN-KRWDZBQOSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502400 1271029578 /nfs/dbraw/zinc/02/95/78/1271029578.db2.gz DXXPJCQEKLAMTN-QGZVFWFLSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210128 1271361864 /nfs/dbraw/zinc/36/18/64/1271361864.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210128 1271361870 /nfs/dbraw/zinc/36/18/70/1271361870.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210128 1271361881 /nfs/dbraw/zinc/36/18/81/1271361881.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210127 1271362973 /nfs/dbraw/zinc/36/29/73/1271362973.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210127 1271362979 /nfs/dbraw/zinc/36/29/79/1271362979.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210127 1271362987 /nfs/dbraw/zinc/36/29/87/1271362987.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211848 1271367530 /nfs/dbraw/zinc/36/75/30/1271367530.db2.gz PCNCHKWMAIHKIB-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211848 1271367536 /nfs/dbraw/zinc/36/75/36/1271367536.db2.gz PCNCHKWMAIHKIB-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211848 1271367543 /nfs/dbraw/zinc/36/75/43/1271367543.db2.gz PCNCHKWMAIHKIB-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250438 1271425308 /nfs/dbraw/zinc/42/53/08/1271425308.db2.gz QHCVPMRUPHQETK-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260828 1271471374 /nfs/dbraw/zinc/47/13/74/1271471374.db2.gz OPHRKPPEUKNXIK-INIZCTEOSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260828 1271471382 /nfs/dbraw/zinc/47/13/82/1271471382.db2.gz OPHRKPPEUKNXIK-INIZCTEOSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285159 1271533972 /nfs/dbraw/zinc/53/39/72/1271533972.db2.gz QEPRSFQCOKSNBX-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292667 1271576663 /nfs/dbraw/zinc/57/66/63/1271576663.db2.gz SPTXSVZXARXNCY-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329352 1271668439 /nfs/dbraw/zinc/66/84/39/1271668439.db2.gz GYBNGBZYJXYBCA-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404570 1271911526 /nfs/dbraw/zinc/91/15/26/1271911526.db2.gz KLKUNIKLCOLUQZ-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034479690 1272081381 /nfs/dbraw/zinc/08/13/81/1272081381.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034479690 1272081396 /nfs/dbraw/zinc/08/13/96/1272081396.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034479690 1272081420 /nfs/dbraw/zinc/08/14/20/1272081420.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034539232 1272245429 /nfs/dbraw/zinc/24/54/29/1272245429.db2.gz YRTQWHQSTPWQRD-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542913 1272254993 /nfs/dbraw/zinc/25/49/93/1272254993.db2.gz XTPJWCOOTUFGFS-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001115648436 1272453225 /nfs/dbraw/zinc/45/32/25/1272453225.db2.gz QGFOUIHMPDVCAX-UHFFFAOYSA-N 2 1 333.520 2.683 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005581275 1272495436 /nfs/dbraw/zinc/49/54/36/1272495436.db2.gz KIRLYWWTFQHLRN-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005581275 1272495440 /nfs/dbraw/zinc/49/54/40/1272495440.db2.gz KIRLYWWTFQHLRN-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844034338 1278726552 /nfs/dbraw/zinc/72/65/52/1278726552.db2.gz AWFRJYLJRUWAQQ-IBGZPJMESA-N 2 1 329.488 2.616 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092127 1272669642 /nfs/dbraw/zinc/66/96/42/1272669642.db2.gz YAVAQKAKWZEFKA-WKCHPHFGSA-N 2 1 338.499 2.737 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169130389 1272688467 /nfs/dbraw/zinc/68/84/67/1272688467.db2.gz NKJFIFIOIMHERC-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130389 1272688488 /nfs/dbraw/zinc/68/84/88/1272688488.db2.gz NKJFIFIOIMHERC-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130389 1272688495 /nfs/dbraw/zinc/68/84/95/1272688495.db2.gz NKJFIFIOIMHERC-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045607907 1273125661 /nfs/dbraw/zinc/12/56/61/1273125661.db2.gz FEGBOIUISHPIGS-UHFFFAOYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)C(=O)OC ZINC001169838064 1273189296 /nfs/dbraw/zinc/18/92/96/1273189296.db2.gz KEESREZPARWTIT-HOTGVXAUSA-N 2 1 342.443 2.881 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778377 1273475115 /nfs/dbraw/zinc/47/51/15/1273475115.db2.gz PZPFHHQAHCECRC-FHWLQOOXSA-N 2 1 344.503 2.907 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197408 1273761098 /nfs/dbraw/zinc/76/10/98/1273761098.db2.gz MNMZYVAJDPSZIY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197408 1273761101 /nfs/dbraw/zinc/76/11/01/1273761101.db2.gz MNMZYVAJDPSZIY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197408 1273761110 /nfs/dbraw/zinc/76/11/10/1273761110.db2.gz MNMZYVAJDPSZIY-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197133 1273762858 /nfs/dbraw/zinc/76/28/58/1273762858.db2.gz ISVLIWBBSSBXFJ-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035197133 1273762865 /nfs/dbraw/zinc/76/28/65/1273762865.db2.gz ISVLIWBBSSBXFJ-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035197133 1273762871 /nfs/dbraw/zinc/76/28/71/1273762871.db2.gz ISVLIWBBSSBXFJ-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035198971 1273765372 /nfs/dbraw/zinc/76/53/72/1273765372.db2.gz CJQAQHDIZASKIG-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198971 1273765379 /nfs/dbraw/zinc/76/53/79/1273765379.db2.gz CJQAQHDIZASKIG-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198971 1273765383 /nfs/dbraw/zinc/76/53/83/1273765383.db2.gz CJQAQHDIZASKIG-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035193001 1273812763 /nfs/dbraw/zinc/81/27/63/1273812763.db2.gz SQYBENAGTWUSGL-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193001 1273812768 /nfs/dbraw/zinc/81/27/68/1273812768.db2.gz SQYBENAGTWUSGL-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193001 1273812775 /nfs/dbraw/zinc/81/27/75/1273812775.db2.gz SQYBENAGTWUSGL-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193466 1273816306 /nfs/dbraw/zinc/81/63/06/1273816306.db2.gz DRRJKDJIPKGCCZ-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193466 1273816314 /nfs/dbraw/zinc/81/63/14/1273816314.db2.gz DRRJKDJIPKGCCZ-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035227324 1273849693 /nfs/dbraw/zinc/84/96/93/1273849693.db2.gz WAUJOOQAJLQVEZ-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209881 1273860333 /nfs/dbraw/zinc/86/03/33/1273860333.db2.gz CKAVNJCZTRGFAC-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217513 1273882303 /nfs/dbraw/zinc/88/23/03/1273882303.db2.gz URMHZLQUNJCHME-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217513 1273882307 /nfs/dbraw/zinc/88/23/07/1273882307.db2.gz URMHZLQUNJCHME-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217513 1273882312 /nfs/dbraw/zinc/88/23/12/1273882312.db2.gz URMHZLQUNJCHME-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233989 1273886582 /nfs/dbraw/zinc/88/65/82/1273886582.db2.gz RKEVFVLUHUFGKL-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237015 1273899239 /nfs/dbraw/zinc/89/92/39/1273899239.db2.gz ICZBVXBCWMGFBO-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237015 1273899245 /nfs/dbraw/zinc/89/92/45/1273899245.db2.gz ICZBVXBCWMGFBO-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237015 1273899255 /nfs/dbraw/zinc/89/92/55/1273899255.db2.gz ICZBVXBCWMGFBO-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244513 1273916348 /nfs/dbraw/zinc/91/63/48/1273916348.db2.gz PTVLCSBKBWCTBS-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035244495 1273916632 /nfs/dbraw/zinc/91/66/32/1273916632.db2.gz PDNBJUFUNRFKFU-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244495 1273916638 /nfs/dbraw/zinc/91/66/38/1273916638.db2.gz PDNBJUFUNRFKFU-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244495 1273916646 /nfs/dbraw/zinc/91/66/46/1273916646.db2.gz PDNBJUFUNRFKFU-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405852 1274250221 /nfs/dbraw/zinc/25/02/21/1274250221.db2.gz DRRXPPMQNLBMBW-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485217 1274335717 /nfs/dbraw/zinc/33/57/17/1274335717.db2.gz PZENIAYEMWFACH-MHORFTMASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001035705332 1274382471 /nfs/dbraw/zinc/38/24/71/1274382471.db2.gz CZOAVFXTNOIMDZ-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(Cl)CN1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725272 1274412912 /nfs/dbraw/zinc/41/29/12/1274412912.db2.gz LMZNVJSPIDOYKZ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725224 1274412980 /nfs/dbraw/zinc/41/29/80/1274412980.db2.gz JCTQNVUZFBUQDI-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733033 1274423544 /nfs/dbraw/zinc/42/35/44/1274423544.db2.gz LXYAXTHKDRJDRB-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035733036 1274423716 /nfs/dbraw/zinc/42/37/16/1274423716.db2.gz LXYAXTHKDRJDRB-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736813 1274428836 /nfs/dbraw/zinc/42/88/36/1274428836.db2.gz KEIMHKBTAGBUGR-UHFFFAOYSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773293 1274498041 /nfs/dbraw/zinc/49/80/41/1274498041.db2.gz VTFSOOVLROHLOW-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773054 1274498683 /nfs/dbraw/zinc/49/86/83/1274498683.db2.gz PKKXDKUNMDAUOI-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984770 1274945948 /nfs/dbraw/zinc/94/59/48/1274945948.db2.gz MDUUTXGVWCORPT-HIRMHNASSA-N 2 1 342.487 2.837 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984770 1274945953 /nfs/dbraw/zinc/94/59/53/1274945953.db2.gz MDUUTXGVWCORPT-HIRMHNASSA-N 2 1 342.487 2.837 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563460 1275187073 /nfs/dbraw/zinc/18/70/73/1275187073.db2.gz WNBVQYDYTNLQRP-BJLQDIEVSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001112590352 1275344634 /nfs/dbraw/zinc/34/46/34/1275344634.db2.gz QBSYLESGYXBUKQ-FPOVZHCZSA-N 2 1 341.499 2.523 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001112590352 1275344638 /nfs/dbraw/zinc/34/46/38/1275344638.db2.gz QBSYLESGYXBUKQ-FPOVZHCZSA-N 2 1 341.499 2.523 20 30 EFEDMP C=C(C)CN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273143131 1275384191 /nfs/dbraw/zinc/38/41/91/1275384191.db2.gz CEWHOWQFCDQHJI-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855185 1276110982 /nfs/dbraw/zinc/11/09/82/1276110982.db2.gz NIBRRCJCRRDTML-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855186 1276111256 /nfs/dbraw/zinc/11/12/56/1276111256.db2.gz NIBRRCJCRRDTML-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974068 1276271419 /nfs/dbraw/zinc/27/14/19/1276271419.db2.gz HYRDLBWENSVQKN-IAGOWNOFSA-N 2 1 344.503 2.663 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991773 1276281374 /nfs/dbraw/zinc/28/13/74/1276281374.db2.gz JNROAYXBMHUTRW-OALUTQOASA-N 2 1 343.515 2.643 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135996777 1276287302 /nfs/dbraw/zinc/28/73/02/1276287302.db2.gz VQLOWZZSPLNNPJ-SJORKVTESA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877711 1276308419 /nfs/dbraw/zinc/30/84/19/1276308419.db2.gz FUNSBESLGZWOPL-IRXDYDNUSA-N 2 1 332.492 2.685 20 30 EFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001273146471 1276315748 /nfs/dbraw/zinc/31/57/48/1276315748.db2.gz NAIZURMAMNUHFT-PKOBYXMFSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001273147436 1276336932 /nfs/dbraw/zinc/33/69/32/1276336932.db2.gz XQHHQOGNLQAXCK-KDURUIRLSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964471 1276349921 /nfs/dbraw/zinc/34/99/21/1276349921.db2.gz XSXMOSGFJMDVHG-IBGZPJMESA-N 2 1 335.536 2.855 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001113008318 1276473651 /nfs/dbraw/zinc/47/36/51/1276473651.db2.gz NCGCLOBAGRFEFU-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001113008318 1276473655 /nfs/dbraw/zinc/47/36/55/1276473655.db2.gz NCGCLOBAGRFEFU-RBUKOAKNSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174931021 1287235891 /nfs/dbraw/zinc/23/58/91/1287235891.db2.gz ZZENOAIQVJSQTM-WBVHZDCISA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859167 1276785392 /nfs/dbraw/zinc/78/53/92/1276785392.db2.gz MAOJQSTXZBIZFY-VNTMZGSJSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086579186 1276952621 /nfs/dbraw/zinc/95/26/21/1276952621.db2.gz QDDYSAGFVGYZOI-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579186 1276952627 /nfs/dbraw/zinc/95/26/27/1276952627.db2.gz QDDYSAGFVGYZOI-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579186 1276952630 /nfs/dbraw/zinc/95/26/30/1276952630.db2.gz QDDYSAGFVGYZOI-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273668 1287369086 /nfs/dbraw/zinc/36/90/86/1287369086.db2.gz SVOCNTRPZPBYBS-AEFFLSMTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295162 1287377064 /nfs/dbraw/zinc/37/70/64/1287377064.db2.gz CZDHZVJQQDDTJY-SFHVURJKSA-N 2 1 331.504 2.612 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001144572236 1279855375 /nfs/dbraw/zinc/85/53/75/1279855375.db2.gz VCUPAXSAXCVJFB-UHFFFAOYSA-N 2 1 348.494 2.909 20 30 EFEDMP COc1ccnc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232997 1280261499 /nfs/dbraw/zinc/26/14/99/1280261499.db2.gz YNQDWYFKXHZHOH-INIZCTEOSA-N 2 1 336.439 2.715 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236045 1280292151 /nfs/dbraw/zinc/29/21/51/1280292151.db2.gz KMDZLXXSALCDHA-IRXDYDNUSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248320 1280439715 /nfs/dbraw/zinc/43/97/15/1280439715.db2.gz SHGATIPPONUNKD-LSDHHAIUSA-N 2 1 338.883 2.778 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248271 1280440222 /nfs/dbraw/zinc/44/02/22/1280440222.db2.gz RJXCQGKYFGTSLT-DLBZAZTESA-N 2 1 332.492 2.991 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171308719 1281194752 /nfs/dbraw/zinc/19/47/52/1281194752.db2.gz VNWZURKPZAPLRF-AEFFLSMTSA-N 2 1 347.528 2.610 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171308719 1281194753 /nfs/dbraw/zinc/19/47/53/1281194753.db2.gz VNWZURKPZAPLRF-AEFFLSMTSA-N 2 1 347.528 2.610 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147558219 1281202522 /nfs/dbraw/zinc/20/25/22/1281202522.db2.gz PZHJRXPBCWIUPY-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583211 1281212859 /nfs/dbraw/zinc/21/28/59/1281212859.db2.gz OCADAZYAOAWRSU-QZTJIDSGSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583211 1281212867 /nfs/dbraw/zinc/21/28/67/1281212867.db2.gz OCADAZYAOAWRSU-QZTJIDSGSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583211 1281212875 /nfs/dbraw/zinc/21/28/75/1281212875.db2.gz OCADAZYAOAWRSU-QZTJIDSGSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724908 1281247680 /nfs/dbraw/zinc/24/76/80/1281247680.db2.gz NDLVIVANVXEMJW-UHFFFAOYSA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001147774558 1281257638 /nfs/dbraw/zinc/25/76/38/1281257638.db2.gz XNHGXJBZIKCUAZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774558 1281257645 /nfs/dbraw/zinc/25/76/45/1281257645.db2.gz XNHGXJBZIKCUAZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001147774558 1281257653 /nfs/dbraw/zinc/25/76/53/1281257653.db2.gz XNHGXJBZIKCUAZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742890 1281261283 /nfs/dbraw/zinc/26/12/83/1281261283.db2.gz SIWDKEYPHDLIFO-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742890 1281261291 /nfs/dbraw/zinc/26/12/91/1281261291.db2.gz SIWDKEYPHDLIFO-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147742890 1281261300 /nfs/dbraw/zinc/26/13/00/1281261300.db2.gz SIWDKEYPHDLIFO-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965407 1281365495 /nfs/dbraw/zinc/36/54/95/1281365495.db2.gz GXBKOAYGICXTIN-MJGOQNOKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205753 1281448348 /nfs/dbraw/zinc/44/83/48/1281448348.db2.gz NBWBYPLKZZVFFV-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284844 1281492727 /nfs/dbraw/zinc/49/27/27/1281492727.db2.gz HJJITXDIOAAOPG-QZTJIDSGSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291849 1281496639 /nfs/dbraw/zinc/49/66/39/1281496639.db2.gz DHBCFMDCNSNBBD-QGZVFWFLSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291849 1281496641 /nfs/dbraw/zinc/49/66/41/1281496641.db2.gz DHBCFMDCNSNBBD-QGZVFWFLSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515537 /nfs/dbraw/zinc/51/55/37/1281515537.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515546 /nfs/dbraw/zinc/51/55/46/1281515546.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515557 /nfs/dbraw/zinc/51/55/57/1281515557.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391302 1281520485 /nfs/dbraw/zinc/52/04/85/1281520485.db2.gz RNGBYNUIOFIUDC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363760 1281532832 /nfs/dbraw/zinc/53/28/32/1281532832.db2.gz NXXJEJLKTAZLQD-KRWDZBQOSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363760 1281532845 /nfs/dbraw/zinc/53/28/45/1281532845.db2.gz NXXJEJLKTAZLQD-KRWDZBQOSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731746 1281639019 /nfs/dbraw/zinc/63/90/19/1281639019.db2.gz VGNIZARVGUCTHA-SBHAEUEKSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731746 1281639028 /nfs/dbraw/zinc/63/90/28/1281639028.db2.gz VGNIZARVGUCTHA-SBHAEUEKSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731746 1281639037 /nfs/dbraw/zinc/63/90/37/1281639037.db2.gz VGNIZARVGUCTHA-SBHAEUEKSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833757 1281760649 /nfs/dbraw/zinc/76/06/49/1281760649.db2.gz ILSQOJLAVOHIPC-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921485 1281931655 /nfs/dbraw/zinc/93/16/55/1281931655.db2.gz QQSUHXNFVDKWCQ-OALUTQOASA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924693 1281940264 /nfs/dbraw/zinc/94/02/64/1281940264.db2.gz ZNDLYBHIQRRLRF-GUDVDZBRSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926769 1281947379 /nfs/dbraw/zinc/94/73/79/1281947379.db2.gz JIGHEFKHFSJRHH-RTBURBONSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926928 1281949909 /nfs/dbraw/zinc/94/99/09/1281949909.db2.gz NUKKKJULCCMMRC-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926960 1281949940 /nfs/dbraw/zinc/94/99/40/1281949940.db2.gz OQRDMDUHMGNSTH-DLBZAZTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942161 1281971309 /nfs/dbraw/zinc/97/13/09/1281971309.db2.gz KIIKALBKWJOMSO-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942188 1281971767 /nfs/dbraw/zinc/97/17/67/1281971767.db2.gz KVPGGXHAJPQGQI-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928152 1281989895 /nfs/dbraw/zinc/98/98/95/1281989895.db2.gz WPQXSODELVMYSK-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804701 1282131612 /nfs/dbraw/zinc/13/16/12/1282131612.db2.gz QQPNDUPDQFRRSD-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804701 1282131627 /nfs/dbraw/zinc/13/16/27/1282131627.db2.gz QQPNDUPDQFRRSD-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804701 1282131640 /nfs/dbraw/zinc/13/16/40/1282131640.db2.gz QQPNDUPDQFRRSD-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091808153 1282137524 /nfs/dbraw/zinc/13/75/24/1282137524.db2.gz ZKYHVDURSBTLDC-UZLBHIALSA-N 2 1 338.455 2.613 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960644 1282281056 /nfs/dbraw/zinc/28/10/56/1282281056.db2.gz ZHDJRSIMQZNXJV-XLIONFOSSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070849 1282366851 /nfs/dbraw/zinc/36/68/51/1282366851.db2.gz ANWNEDWACQXHNP-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366946 /nfs/dbraw/zinc/36/69/46/1282366946.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366957 /nfs/dbraw/zinc/36/69/57/1282366957.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366969 /nfs/dbraw/zinc/36/69/69/1282366969.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071338 1282368970 /nfs/dbraw/zinc/36/89/70/1282368970.db2.gz RPKYQOXJSPYESA-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092298134 1282546896 /nfs/dbraw/zinc/54/68/96/1282546896.db2.gz OWLSZVHDFNVBSD-CTNGQTDRSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608020 1282841371 /nfs/dbraw/zinc/84/13/71/1282841371.db2.gz HVELFWKBJSCYFW-KZNAEPCWSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608020 1282841380 /nfs/dbraw/zinc/84/13/80/1282841380.db2.gz HVELFWKBJSCYFW-KZNAEPCWSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608020 1282841395 /nfs/dbraw/zinc/84/13/95/1282841395.db2.gz HVELFWKBJSCYFW-KZNAEPCWSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907406 1283084636 /nfs/dbraw/zinc/08/46/36/1283084636.db2.gz LYWHNUSBGYUNOC-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907406 1283084644 /nfs/dbraw/zinc/08/46/44/1283084644.db2.gz LYWHNUSBGYUNOC-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907406 1283084647 /nfs/dbraw/zinc/08/46/47/1283084647.db2.gz LYWHNUSBGYUNOC-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206091 1283156255 /nfs/dbraw/zinc/15/62/55/1283156255.db2.gz DQKLLJNYIZNZNI-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206091 1283156258 /nfs/dbraw/zinc/15/62/58/1283156258.db2.gz DQKLLJNYIZNZNI-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206091 1283156267 /nfs/dbraw/zinc/15/62/67/1283156267.db2.gz DQKLLJNYIZNZNI-QZTJIDSGSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093024634 1283166491 /nfs/dbraw/zinc/16/64/91/1283166491.db2.gz BLLKXJWMUOMFNQ-DJIMGWMZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024634 1283166493 /nfs/dbraw/zinc/16/64/93/1283166493.db2.gz BLLKXJWMUOMFNQ-DJIMGWMZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024634 1283166495 /nfs/dbraw/zinc/16/64/95/1283166495.db2.gz BLLKXJWMUOMFNQ-DJIMGWMZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097155 1283219090 /nfs/dbraw/zinc/21/90/90/1283219090.db2.gz AKFWXTUBGMEYNA-IEBWSBKVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731147 1283289474 /nfs/dbraw/zinc/28/94/74/1283289474.db2.gz OZGOODZRKRRSIE-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748412 1283395179 /nfs/dbraw/zinc/39/51/79/1283395179.db2.gz DLUYIHFACIPCDH-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365123 1283409934 /nfs/dbraw/zinc/40/99/34/1283409934.db2.gz IHOMRCRTNDTRGG-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365123 1283409939 /nfs/dbraw/zinc/40/99/39/1283409939.db2.gz IHOMRCRTNDTRGG-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378986 1283835838 /nfs/dbraw/zinc/83/58/38/1283835838.db2.gz XJOBZMMMFKHGED-ROUUACIJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093382846 1283853943 /nfs/dbraw/zinc/85/39/43/1283853943.db2.gz FDAKAEYABFWGHR-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382846 1283853950 /nfs/dbraw/zinc/85/39/50/1283853950.db2.gz FDAKAEYABFWGHR-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382846 1283853960 /nfs/dbraw/zinc/85/39/60/1283853960.db2.gz FDAKAEYABFWGHR-RBUKOAKNSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093384021 1283858313 /nfs/dbraw/zinc/85/83/13/1283858313.db2.gz SOTJZGYQLBAIEJ-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093384021 1283858323 /nfs/dbraw/zinc/85/83/23/1283858323.db2.gz SOTJZGYQLBAIEJ-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093384021 1283858336 /nfs/dbraw/zinc/85/83/36/1283858336.db2.gz SOTJZGYQLBAIEJ-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541234 1283864388 /nfs/dbraw/zinc/86/43/88/1283864388.db2.gz BTTQLZJAEPLWTD-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541234 1283864399 /nfs/dbraw/zinc/86/43/99/1283864399.db2.gz BTTQLZJAEPLWTD-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541234 1283864405 /nfs/dbraw/zinc/86/44/05/1283864405.db2.gz BTTQLZJAEPLWTD-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541234 1283864416 /nfs/dbraw/zinc/86/44/16/1283864416.db2.gz BTTQLZJAEPLWTD-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000815652789 1287671719 /nfs/dbraw/zinc/67/17/19/1287671719.db2.gz SYTKRTZNWZFOHO-IRXDYDNUSA-N 2 1 337.508 2.757 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000815652789 1287671724 /nfs/dbraw/zinc/67/17/24/1287671724.db2.gz SYTKRTZNWZFOHO-IRXDYDNUSA-N 2 1 337.508 2.757 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000815652907 1287672229 /nfs/dbraw/zinc/67/22/29/1287672229.db2.gz ZXKYKFASKZNAJK-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000815652907 1287672230 /nfs/dbraw/zinc/67/22/30/1287672230.db2.gz ZXKYKFASKZNAJK-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858892 1284335059 /nfs/dbraw/zinc/33/50/59/1284335059.db2.gz GZNJZVQKVIUSIF-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148169 1284383148 /nfs/dbraw/zinc/38/31/48/1284383148.db2.gz MHEGTPVDQGDVMB-RDGPPVDQSA-N 2 1 333.520 2.939 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941926 1284497672 /nfs/dbraw/zinc/49/76/72/1284497672.db2.gz SPAHPOPAUDKANE-MSOLQXFVSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120145 1287716673 /nfs/dbraw/zinc/71/66/73/1287716673.db2.gz JRIZFNRSPPLZIB-AZUAARDMSA-N 2 1 343.515 2.967 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434176 1285078854 /nfs/dbraw/zinc/07/88/54/1285078854.db2.gz VLTRMJSSYLZNSB-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434176 1285078859 /nfs/dbraw/zinc/07/88/59/1285078859.db2.gz VLTRMJSSYLZNSB-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434176 1285078865 /nfs/dbraw/zinc/07/88/65/1285078865.db2.gz VLTRMJSSYLZNSB-QKNQBKEWSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361032 1285259988 /nfs/dbraw/zinc/25/99/88/1285259988.db2.gz RKGKBRSGBNIKEE-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361032 1285259999 /nfs/dbraw/zinc/25/99/99/1285259999.db2.gz RKGKBRSGBNIKEE-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001133392589 1285333550 /nfs/dbraw/zinc/33/35/50/1285333550.db2.gz DUWHOTAWPRMQOE-KRWDZBQOSA-N 2 1 335.879 2.538 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133404006 1285355325 /nfs/dbraw/zinc/35/53/25/1285355325.db2.gz UJDCKSMIKVMVOJ-MRXNPFEDSA-N 2 1 349.906 2.786 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001133403833 1285355874 /nfs/dbraw/zinc/35/58/74/1285355874.db2.gz LNJLMJNAOPLWEW-MRXNPFEDSA-N 2 1 349.906 2.929 20 30 EFEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410747 1285374488 /nfs/dbraw/zinc/37/44/88/1285374488.db2.gz ZCRALHODTJLOQX-UHFFFAOYSA-N 2 1 349.906 2.623 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902617 1285382930 /nfs/dbraw/zinc/38/29/30/1285382930.db2.gz NAUKXXXOKZTSEQ-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585403 1285417386 /nfs/dbraw/zinc/41/73/86/1285417386.db2.gz VDCWZLKDKGYRBK-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585403 1285417391 /nfs/dbraw/zinc/41/73/91/1285417391.db2.gz VDCWZLKDKGYRBK-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585403 1285417405 /nfs/dbraw/zinc/41/74/05/1285417405.db2.gz VDCWZLKDKGYRBK-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001171725804 1285741770 /nfs/dbraw/zinc/74/17/70/1285741770.db2.gz RFMUVZISSJFQGX-UHFFFAOYSA-N 2 1 349.906 2.519 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171725222 1285741963 /nfs/dbraw/zinc/74/19/63/1285741963.db2.gz JEVOGKYLFYOCHJ-UHFFFAOYSA-N 2 1 349.906 2.519 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825255 1285795835 /nfs/dbraw/zinc/79/58/35/1285795835.db2.gz AZGIPGCBQKHHOK-KRWDZBQOSA-N 2 1 346.519 2.993 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825347 1285796093 /nfs/dbraw/zinc/79/60/93/1285796093.db2.gz CJRAMEMYAXKERX-QGZVFWFLSA-N 2 1 346.519 2.993 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918647 1285904249 /nfs/dbraw/zinc/90/42/49/1285904249.db2.gz QXZBNTFXBKQLNP-SFHVURJKSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172113959 1286025790 /nfs/dbraw/zinc/02/57/90/1286025790.db2.gz NDMOPBVFKLUVMB-PIIMJCKOSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856614 1286030726 /nfs/dbraw/zinc/03/07/26/1286030726.db2.gz LITMJDMAQWHRHT-GOSISDBHSA-N 2 1 327.488 2.651 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122645 1286030986 /nfs/dbraw/zinc/03/09/86/1286030986.db2.gz RQMODGUNGALAJI-FAJBIJEISA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122645 1286030992 /nfs/dbraw/zinc/03/09/92/1286030992.db2.gz RQMODGUNGALAJI-FAJBIJEISA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122645 1286030997 /nfs/dbraw/zinc/03/09/97/1286030997.db2.gz RQMODGUNGALAJI-FAJBIJEISA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122645 1286031002 /nfs/dbraw/zinc/03/10/02/1286031002.db2.gz RQMODGUNGALAJI-FAJBIJEISA-N 2 1 344.503 2.537 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001095009285 1286406898 /nfs/dbraw/zinc/40/68/98/1286406898.db2.gz BGPRKMPCJIWAIW-KSZLIROESA-N 2 1 344.503 2.942 20 30 EFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341476 1286531816 /nfs/dbraw/zinc/53/18/16/1286531816.db2.gz WRACKOCWUNHSST-ADKAHSJRSA-N 2 1 347.503 2.808 20 30 EFEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395368 1289119755 /nfs/dbraw/zinc/11/97/55/1289119755.db2.gz LUVCWHYGTBVZIS-GOSISDBHSA-N 2 1 346.519 2.986 20 30 EFEDMP CC[C@@H]1CN(C(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)=[NH+]C)CCS1 ZINC000123651124 1287120167 /nfs/dbraw/zinc/12/01/67/1287120167.db2.gz QQDNBYAVDJNHHD-DLBZAZTESA-N 2 1 340.581 2.757 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471884 1288034612 /nfs/dbraw/zinc/03/46/12/1288034612.db2.gz PXECJAIPXHXFOG-JKSUJKDBSA-N 2 1 348.491 2.723 20 30 EFEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481204 1288036456 /nfs/dbraw/zinc/03/64/56/1288036456.db2.gz RGOBHBJMVMRYGQ-ROUUACIJSA-N 2 1 331.504 2.610 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165727566 1312671200 /nfs/dbraw/zinc/67/12/00/1312671200.db2.gz DMNFUBXMHHOPOY-ROUUACIJSA-N 2 1 333.520 2.846 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753939 1288120822 /nfs/dbraw/zinc/12/08/22/1288120822.db2.gz OQOUDXHBWRIYRL-KRWDZBQOSA-N 2 1 344.503 2.663 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819978 1288136150 /nfs/dbraw/zinc/13/61/50/1288136150.db2.gz GPAQMABFIORAKG-GOSISDBHSA-N 2 1 331.504 2.959 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819978 1288136153 /nfs/dbraw/zinc/13/61/53/1288136153.db2.gz GPAQMABFIORAKG-GOSISDBHSA-N 2 1 331.504 2.959 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583559 1288138314 /nfs/dbraw/zinc/13/83/14/1288138314.db2.gz AHNAGRQMNBPRHH-ZIAGYGMSSA-N 2 1 326.872 2.632 20 30 EFEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691439 1288268531 /nfs/dbraw/zinc/26/85/31/1288268531.db2.gz URPYOLDRASFVGR-QZTJIDSGSA-N 2 1 341.540 2.574 20 30 EFEDMP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692037 1288278813 /nfs/dbraw/zinc/27/88/13/1288278813.db2.gz CWJYMORUPFAICF-ZWKOTPCHSA-N 2 1 341.540 2.552 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784736 1288368085 /nfs/dbraw/zinc/36/80/85/1288368085.db2.gz MBJOTHNVUHPPLY-CVEARBPZSA-N 2 1 341.459 2.720 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001177339589 1288399135 /nfs/dbraw/zinc/39/91/35/1288399135.db2.gz LHYACCOXULESHP-HXUWFJFHSA-N 2 1 347.547 2.596 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCCC)CC1CCCC1 ZINC001177342589 1288399734 /nfs/dbraw/zinc/39/97/34/1288399734.db2.gz RVTKDVXCYSGUTJ-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCCC)CC1CCCC1 ZINC001177342589 1288399742 /nfs/dbraw/zinc/39/97/42/1288399742.db2.gz RVTKDVXCYSGUTJ-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177341734 1288400517 /nfs/dbraw/zinc/40/05/17/1288400517.db2.gz BIDBMGXKQZGCRA-HXUWFJFHSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCC=C)CC1CCCC1 ZINC001177342061 1288400554 /nfs/dbraw/zinc/40/05/54/1288400554.db2.gz IJNYABPQYAZVEO-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCC=C)CC1CCCC1 ZINC001177342061 1288400557 /nfs/dbraw/zinc/40/05/57/1288400557.db2.gz IJNYABPQYAZVEO-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177415699 1288423477 /nfs/dbraw/zinc/42/34/77/1288423477.db2.gz IQNSKJNEOWLBTJ-HKUYNNGSSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416247 1288424371 /nfs/dbraw/zinc/42/43/71/1288424371.db2.gz XMMBDUDNESPUNS-HKUYNNGSSA-N 2 1 335.536 2.759 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177416257 1288424918 /nfs/dbraw/zinc/42/49/18/1288424918.db2.gz XSKXYKVDJRPCSY-UHFFFAOYSA-N 2 1 335.536 2.596 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484930 1288445547 /nfs/dbraw/zinc/44/55/47/1288445547.db2.gz ODOYYZOGIJKNNG-KDURUIRLSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)cc1 ZINC001170875351 1288707919 /nfs/dbraw/zinc/70/79/19/1288707919.db2.gz VWFSLWAUWMQBHW-GUDVDZBRSA-N 2 1 343.471 2.573 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483892 1288801454 /nfs/dbraw/zinc/80/14/54/1288801454.db2.gz JNBVFMRXZDYJPG-SJORKVTESA-N 2 1 341.927 2.880 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178722656 1288867853 /nfs/dbraw/zinc/86/78/53/1288867853.db2.gz LVNGQLIIPJUYEH-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178722656 1288867861 /nfs/dbraw/zinc/86/78/61/1288867861.db2.gz LVNGQLIIPJUYEH-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587341 1289190089 /nfs/dbraw/zinc/19/00/89/1289190089.db2.gz YTMQRUBSVQZIFJ-SFHVURJKSA-N 2 1 346.519 2.986 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592432 1289193489 /nfs/dbraw/zinc/19/34/89/1289193489.db2.gz BIUASEFUWWSGET-UHFFFAOYSA-N 2 1 331.932 2.983 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179630175 1289214069 /nfs/dbraw/zinc/21/40/69/1289214069.db2.gz MPOKHNWAQGGQFP-ULQDDVLXSA-N 2 1 332.492 2.940 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001179929296 1289311579 /nfs/dbraw/zinc/31/15/79/1289311579.db2.gz BZRDWWBNBGWBJO-UHFFFAOYSA-N 2 1 341.459 2.723 20 30 EFEDMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179989038 1289355874 /nfs/dbraw/zinc/35/58/74/1289355874.db2.gz SYARPRPWEBBFOA-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518734 1289852277 /nfs/dbraw/zinc/85/22/77/1289852277.db2.gz ZWMXAQFOLJGYAQ-NOVWEMISSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672359 1289898093 /nfs/dbraw/zinc/89/80/93/1289898093.db2.gz WQMZUQYHRFTKJX-QGPMSJSTSA-N 2 1 341.927 2.688 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001181764826 1289934526 /nfs/dbraw/zinc/93/45/26/1289934526.db2.gz VZDNWUDXIITFIE-SVFBPWRDSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001181764826 1289934535 /nfs/dbraw/zinc/93/45/35/1289934535.db2.gz VZDNWUDXIITFIE-SVFBPWRDSA-N 2 1 347.547 2.594 20 30 EFEDMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695406 1312752915 /nfs/dbraw/zinc/75/29/15/1312752915.db2.gz YTMOQTFLLXQNEL-FQEVSTJZSA-N 2 1 335.455 2.784 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000886 1290035976 /nfs/dbraw/zinc/03/59/76/1290035976.db2.gz GPCIGJCGKWSBQC-WSTZPKSXSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125141 1290079428 /nfs/dbraw/zinc/07/94/28/1290079428.db2.gz PSCRCNVQQLARMB-JTDSTZFVSA-N 2 1 332.492 2.620 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517126 1290353583 /nfs/dbraw/zinc/35/35/83/1290353583.db2.gz QGOMUZXEMCXFTK-QGPMSJSTSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714365 1290498104 /nfs/dbraw/zinc/49/81/04/1290498104.db2.gz XYJZRZTWRYNSTM-ZFWWWQNUSA-N 2 1 329.916 2.543 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184683273 1290499279 /nfs/dbraw/zinc/49/92/79/1290499279.db2.gz HFGUTACCTOIIMX-MSOLQXFVSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596878 1290994770 /nfs/dbraw/zinc/99/47/70/1290994770.db2.gz CWKWLOXBBQHIRN-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604200 1290999130 /nfs/dbraw/zinc/99/91/30/1290999130.db2.gz AJWZJTCIXZPDGX-LJQANCHMSA-N 2 1 347.547 2.692 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707058 1312825411 /nfs/dbraw/zinc/82/54/11/1312825411.db2.gz CTEPUZRHMPURHU-KRWDZBQOSA-N 2 1 334.508 2.820 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877008878 1291105665 /nfs/dbraw/zinc/10/56/65/1291105665.db2.gz BCVMBGMSNKZUTM-UHFFFAOYSA-N 2 1 325.497 2.777 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877009771 1291106392 /nfs/dbraw/zinc/10/63/92/1291106392.db2.gz ZHZWTUGUPGMLKD-UHFFFAOYSA-N 2 1 337.508 2.921 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001233079761 1312851327 /nfs/dbraw/zinc/85/13/27/1312851327.db2.gz MOKZIQNIMHRUFS-UHFFFAOYSA-N 2 1 349.482 2.717 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732293 1291580718 /nfs/dbraw/zinc/58/07/18/1291580718.db2.gz CIEXSICOPDGZPF-LTFXXXRZSA-N 2 1 335.536 2.734 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001114732293 1291580727 /nfs/dbraw/zinc/58/07/27/1291580727.db2.gz CIEXSICOPDGZPF-LTFXXXRZSA-N 2 1 335.536 2.734 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114732293 1291580733 /nfs/dbraw/zinc/58/07/33/1291580733.db2.gz CIEXSICOPDGZPF-LTFXXXRZSA-N 2 1 335.536 2.734 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114732987 1291599680 /nfs/dbraw/zinc/59/96/80/1291599680.db2.gz SHZGOFFTLFFBME-LTFXXXRZSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732987 1291599686 /nfs/dbraw/zinc/59/96/86/1291599686.db2.gz SHZGOFFTLFFBME-LTFXXXRZSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732987 1291599692 /nfs/dbraw/zinc/59/96/92/1291599692.db2.gz SHZGOFFTLFFBME-LTFXXXRZSA-N 2 1 333.520 2.510 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114738658 1291633782 /nfs/dbraw/zinc/63/37/82/1291633782.db2.gz ITZBONSWGZBLDT-PIIMJCKOSA-N 2 1 347.503 2.972 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001189276200 1291663395 /nfs/dbraw/zinc/66/33/95/1291663395.db2.gz HTAUEXNXZCQZCI-OKZBNKHCSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276200 1291663404 /nfs/dbraw/zinc/66/34/04/1291663404.db2.gz HTAUEXNXZCQZCI-OKZBNKHCSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276200 1291663411 /nfs/dbraw/zinc/66/34/11/1291663411.db2.gz HTAUEXNXZCQZCI-OKZBNKHCSA-N 2 1 344.503 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552426 1291751174 /nfs/dbraw/zinc/75/11/74/1291751174.db2.gz OTMBFDBPQYUJDS-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612165 1291785030 /nfs/dbraw/zinc/78/50/30/1291785030.db2.gz ICSPOYVJQLWDQL-YZGWKJHDSA-N 2 1 347.547 2.994 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593171 1291830813 /nfs/dbraw/zinc/83/08/13/1291830813.db2.gz MYKTWSCSFXJYTG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786596 1291860493 /nfs/dbraw/zinc/86/04/93/1291860493.db2.gz FYMIGXJZFROGSG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786596 1291860503 /nfs/dbraw/zinc/86/05/03/1291860503.db2.gz FYMIGXJZFROGSG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786596 1291860512 /nfs/dbraw/zinc/86/05/12/1291860512.db2.gz FYMIGXJZFROGSG-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633871 1291930315 /nfs/dbraw/zinc/93/03/15/1291930315.db2.gz RXXKLBMGDVCUCU-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049466109 1312890463 /nfs/dbraw/zinc/89/04/63/1312890463.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049466109 1312890467 /nfs/dbraw/zinc/89/04/67/1312890467.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049466109 1312890472 /nfs/dbraw/zinc/89/04/72/1312890472.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246318 1292078521 /nfs/dbraw/zinc/07/85/21/1292078521.db2.gz ACYQDJARLUWRNF-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246318 1292078534 /nfs/dbraw/zinc/07/85/34/1292078534.db2.gz ACYQDJARLUWRNF-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325119 1292116904 /nfs/dbraw/zinc/11/69/04/1292116904.db2.gz RXWQSEAFISKMIX-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016653753 1312905782 /nfs/dbraw/zinc/90/57/82/1312905782.db2.gz BLLHXOHPNRSEEZ-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445648 1292165404 /nfs/dbraw/zinc/16/54/04/1292165404.db2.gz ZJGIKFZPEHXGPJ-ROUUACIJSA-N 2 1 341.515 2.945 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656567 1292271329 /nfs/dbraw/zinc/27/13/29/1292271329.db2.gz VDRUTWPWRXBEDV-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656567 1292271339 /nfs/dbraw/zinc/27/13/39/1292271339.db2.gz VDRUTWPWRXBEDV-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656567 1292271351 /nfs/dbraw/zinc/27/13/51/1292271351.db2.gz VDRUTWPWRXBEDV-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000775408337 1292298151 /nfs/dbraw/zinc/29/81/51/1292298151.db2.gz JFEYIFBNKPCOBO-KRWDZBQOSA-N 2 1 331.460 2.950 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417871 1312920387 /nfs/dbraw/zinc/92/03/87/1312920387.db2.gz DGEQJIXMJZEZMK-SJORKVTESA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070545 1292448999 /nfs/dbraw/zinc/44/89/99/1292448999.db2.gz QNUHOCFQOBXRLS-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070545 1292449017 /nfs/dbraw/zinc/44/90/17/1292449017.db2.gz QNUHOCFQOBXRLS-INIZCTEOSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082060 1292456931 /nfs/dbraw/zinc/45/69/31/1292456931.db2.gz TWFXXAKWLCOANW-QGZVFWFLSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451048 1312927532 /nfs/dbraw/zinc/92/75/32/1312927532.db2.gz HUINETHUMIDDHA-SJORKVTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468492 1312931671 /nfs/dbraw/zinc/93/16/71/1312931671.db2.gz LAESSDQUGUKXPN-CVEARBPZSA-N 2 1 330.476 2.600 20 30 EFEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508574 1312942129 /nfs/dbraw/zinc/94/21/29/1312942129.db2.gz ZDYGIRCZLNVWAB-ZWKOTPCHSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513369 1312948226 /nfs/dbraw/zinc/94/82/26/1312948226.db2.gz VDVFELYKTHUEFU-JKSUJKDBSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513369 1312948233 /nfs/dbraw/zinc/94/82/33/1312948233.db2.gz VDVFELYKTHUEFU-JKSUJKDBSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513359 1312948385 /nfs/dbraw/zinc/94/83/85/1312948385.db2.gz VDVFELYKTHUEFU-CVEARBPZSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513359 1312948392 /nfs/dbraw/zinc/94/83/92/1312948392.db2.gz VDVFELYKTHUEFU-CVEARBPZSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513362 1312948405 /nfs/dbraw/zinc/94/84/05/1312948405.db2.gz VDVFELYKTHUEFU-HOTGVXAUSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513362 1312948411 /nfs/dbraw/zinc/94/84/11/1312948411.db2.gz VDVFELYKTHUEFU-HOTGVXAUSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514522 1312949808 /nfs/dbraw/zinc/94/98/08/1312949808.db2.gz GRVAGJZQJMYKBS-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514522 1312949811 /nfs/dbraw/zinc/94/98/11/1312949811.db2.gz GRVAGJZQJMYKBS-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514522 1312949814 /nfs/dbraw/zinc/94/98/14/1312949814.db2.gz GRVAGJZQJMYKBS-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523845 1312964077 /nfs/dbraw/zinc/96/40/77/1312964077.db2.gz IAFUVKCXXAJSCR-RCCFBDPRSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523845 1312964080 /nfs/dbraw/zinc/96/40/80/1312964080.db2.gz IAFUVKCXXAJSCR-RCCFBDPRSA-N 2 1 342.487 2.792 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049529378 1312971257 /nfs/dbraw/zinc/97/12/57/1312971257.db2.gz LPPMVVDAYLCXKP-QRVBRYPASA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049529378 1312971260 /nfs/dbraw/zinc/97/12/60/1312971260.db2.gz LPPMVVDAYLCXKP-QRVBRYPASA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049529378 1312971262 /nfs/dbraw/zinc/97/12/62/1312971262.db2.gz LPPMVVDAYLCXKP-QRVBRYPASA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049529378 1312971265 /nfs/dbraw/zinc/97/12/65/1312971265.db2.gz LPPMVVDAYLCXKP-QRVBRYPASA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026821 1293145116 /nfs/dbraw/zinc/14/51/16/1293145116.db2.gz MJCNCKZIVFLJBU-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788497 1312980488 /nfs/dbraw/zinc/98/04/88/1312980488.db2.gz ZGVGROGULYQXJH-MOPGFXCFSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383301 1293284521 /nfs/dbraw/zinc/28/45/21/1293284521.db2.gz RTVMCWYUSIRQAB-FXAWDEMLSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423920 1293303516 /nfs/dbraw/zinc/30/35/16/1293303516.db2.gz HSLKSLSMWHBLRS-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423920 1293303522 /nfs/dbraw/zinc/30/35/22/1293303522.db2.gz HSLKSLSMWHBLRS-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423920 1293303534 /nfs/dbraw/zinc/30/35/34/1293303534.db2.gz HSLKSLSMWHBLRS-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544890 1312992135 /nfs/dbraw/zinc/99/21/35/1312992135.db2.gz HGIPGWLWPFJRNA-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820690 1312997492 /nfs/dbraw/zinc/99/74/92/1312997492.db2.gz SHLDCKQXQNEUPJ-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730230 1313000544 /nfs/dbraw/zinc/00/05/44/1313000544.db2.gz KAKGJDZRBNNGCX-QZTJIDSGSA-N 2 1 344.503 2.955 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1cccc(Br)c1OC ZINC000883131109 1293473798 /nfs/dbraw/zinc/47/37/98/1293473798.db2.gz HCMYKBCIYNYWIZ-UHFFFAOYSA-N 2 1 325.250 2.502 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1cccc(Br)c1OC ZINC000883131109 1293473800 /nfs/dbraw/zinc/47/38/00/1293473800.db2.gz HCMYKBCIYNYWIZ-UHFFFAOYSA-N 2 1 325.250 2.502 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194226707 1293560380 /nfs/dbraw/zinc/56/03/80/1293560380.db2.gz FGMCUJMCHTWNAS-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563104 1313018854 /nfs/dbraw/zinc/01/88/54/1313018854.db2.gz CDVCYZVNUOAGCE-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563104 1313018858 /nfs/dbraw/zinc/01/88/58/1313018858.db2.gz CDVCYZVNUOAGCE-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563104 1313018860 /nfs/dbraw/zinc/01/88/60/1313018860.db2.gz CDVCYZVNUOAGCE-OALUTQOASA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569542 1313031435 /nfs/dbraw/zinc/03/14/35/1313031435.db2.gz ZDSLRQVFZXDQJF-MSOLQXFVSA-N 2 1 331.504 2.646 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195875605 1294067747 /nfs/dbraw/zinc/06/77/47/1294067747.db2.gz IESIXTCYFLUBHW-LJQANCHMSA-N 2 1 335.536 2.833 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711849 1294129317 /nfs/dbraw/zinc/12/93/17/1294129317.db2.gz KVICXQDSVVBYRM-HXUWFJFHSA-N 2 1 327.472 2.505 20 30 EFEDMP C=CCN1c2ccccc2C2(CC[NH+](CCC[NH+](C)C)CC2)C1=O ZINC001273711775 1294129333 /nfs/dbraw/zinc/12/93/33/1294129333.db2.gz IIBAZIQWLSSVHT-UHFFFAOYSA-N 2 1 327.472 2.505 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001196310338 1294186248 /nfs/dbraw/zinc/18/62/48/1294186248.db2.gz QCAOAIPQTDFYMW-GOSISDBHSA-N 2 1 346.519 2.950 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388146 1294219963 /nfs/dbraw/zinc/21/99/63/1294219963.db2.gz DSWSNFXGRQBYFF-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388146 1294219968 /nfs/dbraw/zinc/21/99/68/1294219968.db2.gz DSWSNFXGRQBYFF-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388146 1294219971 /nfs/dbraw/zinc/21/99/71/1294219971.db2.gz DSWSNFXGRQBYFF-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001196619972 1294307758 /nfs/dbraw/zinc/30/77/58/1294307758.db2.gz REPFDRJCQVNCRD-UHFFFAOYSA-N 2 1 343.515 2.905 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935311 1294400093 /nfs/dbraw/zinc/40/00/93/1294400093.db2.gz OVGATDYQWYTEGY-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935311 1294400098 /nfs/dbraw/zinc/40/00/98/1294400098.db2.gz OVGATDYQWYTEGY-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204076569 1313076931 /nfs/dbraw/zinc/07/69/31/1313076931.db2.gz QUSLWXXOAWLYTE-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204076569 1313076935 /nfs/dbraw/zinc/07/69/35/1313076935.db2.gz QUSLWXXOAWLYTE-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCCCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197157955 1294470648 /nfs/dbraw/zinc/47/06/48/1294470648.db2.gz BBVLUCZUMPOACL-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197157955 1294470650 /nfs/dbraw/zinc/47/06/50/1294470650.db2.gz BBVLUCZUMPOACL-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197157955 1294470653 /nfs/dbraw/zinc/47/06/53/1294470653.db2.gz BBVLUCZUMPOACL-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610673 1313085276 /nfs/dbraw/zinc/08/52/76/1313085276.db2.gz AUKDXGFDLTZXQQ-UXHICEINSA-N 2 1 341.499 2.656 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCC1 ZINC000303779399 1294579123 /nfs/dbraw/zinc/57/91/23/1294579123.db2.gz KNJAYOBFSJQCKM-KRWDZBQOSA-N 2 1 332.492 2.783 20 30 EFEDMP COc1cccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000303782469 1294579385 /nfs/dbraw/zinc/57/93/85/1294579385.db2.gz NGZPEXVSPUXGTD-LPHOPBHVSA-N 2 1 344.503 2.879 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000303776663 1294579902 /nfs/dbraw/zinc/57/99/02/1294579902.db2.gz HYMOYZYJUUQULR-MRXNPFEDSA-N 2 1 328.416 2.852 20 30 EFEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303778033 1294580273 /nfs/dbraw/zinc/58/02/73/1294580273.db2.gz JGUSPAWDTMRILP-ZACQAIPSSA-N 2 1 326.529 2.605 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790411 1294582131 /nfs/dbraw/zinc/58/21/31/1294582131.db2.gz WGJCCOSPORSXGT-MRXNPFEDSA-N 2 1 343.500 2.699 20 30 EFEDMP COCC[N@@H+](C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303870244 1294593398 /nfs/dbraw/zinc/59/33/98/1294593398.db2.gz BERMOFMMSVVPMT-UHFFFAOYSA-N 2 1 332.492 2.909 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000303879924 1294595379 /nfs/dbraw/zinc/59/53/79/1294595379.db2.gz GUVXGULYHHOTAZ-MRXNPFEDSA-N 2 1 346.544 2.782 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000303907941 1294601508 /nfs/dbraw/zinc/60/15/08/1294601508.db2.gz XGJDSBPCIAMAHQ-KBPBESRZSA-N 2 1 334.464 2.693 20 30 EFEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000303910503 1294602219 /nfs/dbraw/zinc/60/22/19/1294602219.db2.gz YZIBYPNONKSGJS-UHFFFAOYSA-N 2 1 334.467 2.960 20 30 EFEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000303910503 1294602230 /nfs/dbraw/zinc/60/22/30/1294602230.db2.gz YZIBYPNONKSGJS-UHFFFAOYSA-N 2 1 334.467 2.960 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000303990562 1294615579 /nfs/dbraw/zinc/61/55/79/1294615579.db2.gz YVKRZRFLKTWLAU-ZDUSSCGKSA-N 2 1 334.464 2.693 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615562 1313089059 /nfs/dbraw/zinc/08/90/59/1313089059.db2.gz LKZSVLCILFZCQK-VAMGGRTRSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615564 1313089499 /nfs/dbraw/zinc/08/94/99/1313089499.db2.gz LKZSVLCILFZCQK-ZCNNSNEGSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC001197668998 1294652416 /nfs/dbraw/zinc/65/24/16/1294652416.db2.gz JYOJXGKOFFAVAV-UHFFFAOYSA-N 2 1 338.455 2.986 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842596 1294735241 /nfs/dbraw/zinc/73/52/41/1294735241.db2.gz KPCAGKWTTOHSGM-MRXNPFEDSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842596 1294735250 /nfs/dbraw/zinc/73/52/50/1294735250.db2.gz KPCAGKWTTOHSGM-MRXNPFEDSA-N 2 1 330.476 2.650 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345900 1313109626 /nfs/dbraw/zinc/10/96/26/1313109626.db2.gz NRXZZJPHKRLPEE-RBUKOAKNSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677557 1313171847 /nfs/dbraw/zinc/17/18/47/1313171847.db2.gz UURJROMBQWJABJ-IRXDYDNUSA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677557 1313171851 /nfs/dbraw/zinc/17/18/51/1313171851.db2.gz UURJROMBQWJABJ-IRXDYDNUSA-N 2 1 331.460 2.596 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162756 1295731655 /nfs/dbraw/zinc/73/16/55/1295731655.db2.gz OBULIMSBDSIUFT-MRXNPFEDSA-N 2 1 346.544 2.925 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000304746589 1295748880 /nfs/dbraw/zinc/74/88/80/1295748880.db2.gz FXWUUALMBSRLIB-HOTGVXAUSA-N 2 1 332.492 2.895 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750824 1295749037 /nfs/dbraw/zinc/74/90/37/1295749037.db2.gz ISKMERGLTOPGQF-WBVHZDCISA-N 2 1 332.492 2.577 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304759358 1295751109 /nfs/dbraw/zinc/75/11/09/1295751109.db2.gz RAQPAYFKZXFPKV-AEFFLSMTSA-N 3 1 345.535 2.504 20 30 EFEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000304759358 1295751117 /nfs/dbraw/zinc/75/11/17/1295751117.db2.gz RAQPAYFKZXFPKV-AEFFLSMTSA-N 2 1 345.535 2.504 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000304759358 1295751123 /nfs/dbraw/zinc/75/11/23/1295751123.db2.gz RAQPAYFKZXFPKV-AEFFLSMTSA-N 2 1 345.535 2.504 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC001204842775 1313201948 /nfs/dbraw/zinc/20/19/48/1313201948.db2.gz DITUYTHFQMCUBF-UHFFFAOYSA-N 2 1 349.519 2.877 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327402 1296258846 /nfs/dbraw/zinc/25/88/46/1296258846.db2.gz QZPPALGLQANGPE-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327402 1296258855 /nfs/dbraw/zinc/25/88/55/1296258855.db2.gz QZPPALGLQANGPE-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205229241 1313255332 /nfs/dbraw/zinc/25/53/32/1313255332.db2.gz MTGGCXYVBWVDBF-HXUWFJFHSA-N 2 1 340.492 2.824 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754427 1313259735 /nfs/dbraw/zinc/25/97/35/1313259735.db2.gz NLHRPISVMHPEAO-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754427 1313259739 /nfs/dbraw/zinc/25/97/39/1313259739.db2.gz NLHRPISVMHPEAO-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283521 1313264639 /nfs/dbraw/zinc/26/46/39/1313264639.db2.gz DNPHDKFSPGFSBP-MOPGFXCFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043584 1296559110 /nfs/dbraw/zinc/55/91/10/1296559110.db2.gz DSDRLGIBFRGKOE-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049766762 1313276597 /nfs/dbraw/zinc/27/65/97/1313276597.db2.gz MXSGZQZNRLHZFS-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768532 1313279466 /nfs/dbraw/zinc/27/94/66/1313279466.db2.gz WWRHATAKSYJNKB-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768532 1313279470 /nfs/dbraw/zinc/27/94/70/1313279470.db2.gz WWRHATAKSYJNKB-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458834 1313293181 /nfs/dbraw/zinc/29/31/81/1313293181.db2.gz XLNTZALQYJBRGJ-RBUKOAKNSA-N 2 1 347.478 2.626 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205460978 1313293415 /nfs/dbraw/zinc/29/34/15/1313293415.db2.gz BSPJFPDNWVGHFZ-LJQANCHMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461524 1313293725 /nfs/dbraw/zinc/29/37/25/1313293725.db2.gz MAAUVGUULPFFRC-KRWDZBQOSA-N 2 1 330.476 2.555 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235339015 1313296024 /nfs/dbraw/zinc/29/60/24/1313296024.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339015 1313296027 /nfs/dbraw/zinc/29/60/27/1313296027.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235339015 1313296029 /nfs/dbraw/zinc/29/60/29/1313296029.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000926399989 1296926199 /nfs/dbraw/zinc/92/61/99/1296926199.db2.gz FALLORKSSAZHHD-YQQQUEKLSA-N 2 1 330.472 2.983 20 30 EFEDMP C[NH+](C)CCN1CCC2(CC1)C[N@@H+](CCCC#N)Cc1ccccc12 ZINC001277945246 1313321994 /nfs/dbraw/zinc/32/19/94/1313321994.db2.gz SPOWTSJZGNXMAI-UHFFFAOYSA-N 2 1 340.515 2.701 20 30 EFEDMP CN(C)CC[NH+]1CCC2(CC1)C[N@H+](CCCC#N)Cc1ccccc12 ZINC001277945246 1313321997 /nfs/dbraw/zinc/32/19/97/1313321997.db2.gz SPOWTSJZGNXMAI-UHFFFAOYSA-N 2 1 340.515 2.701 20 30 EFEDMP CN(C)CC[NH+]1CCC2(CC1)C[N@@H+](CCCC#N)Cc1ccccc12 ZINC001277945246 1313322001 /nfs/dbraw/zinc/32/20/01/1313322001.db2.gz SPOWTSJZGNXMAI-UHFFFAOYSA-N 2 1 340.515 2.701 20 30 EFEDMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](CCCCC#N)C[C@H]2CC1 ZINC001277948112 1313334090 /nfs/dbraw/zinc/33/40/90/1313334090.db2.gz FQKGBTHDAUYJRH-HDICACEKSA-N 2 1 329.492 2.741 20 30 EFEDMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](CCCCC#N)C[C@H]2CC1 ZINC001277948112 1313334094 /nfs/dbraw/zinc/33/40/94/1313334094.db2.gz FQKGBTHDAUYJRH-HDICACEKSA-N 2 1 329.492 2.741 20 30 EFEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](CCCCC#N)C[C@H]2CC1 ZINC001277948112 1313334098 /nfs/dbraw/zinc/33/40/98/1313334098.db2.gz FQKGBTHDAUYJRH-HDICACEKSA-N 2 1 329.492 2.741 20 30 EFEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](CCCCC#N)C[C@H]2CC1 ZINC001277948112 1313334102 /nfs/dbraw/zinc/33/41/02/1313334102.db2.gz FQKGBTHDAUYJRH-HDICACEKSA-N 2 1 329.492 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818798 1313339476 /nfs/dbraw/zinc/33/94/76/1313339476.db2.gz AMKGNGUTHGDESF-OALUTQOASA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202163171 1297268354 /nfs/dbraw/zinc/26/83/54/1297268354.db2.gz CPGMCWHFLRGKEV-GOSISDBHSA-N 2 1 341.540 2.504 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835218 1313364410 /nfs/dbraw/zinc/36/44/10/1313364410.db2.gz GZYAILORYIFBPE-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835218 1313364413 /nfs/dbraw/zinc/36/44/13/1313364413.db2.gz GZYAILORYIFBPE-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835218 1313364416 /nfs/dbraw/zinc/36/44/16/1313364416.db2.gz GZYAILORYIFBPE-XUVXKRRUSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202198002 1297280100 /nfs/dbraw/zinc/28/01/00/1297280100.db2.gz ZQUNBQVSRVRSIE-RDJZCZTQSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578404 1297316003 /nfs/dbraw/zinc/31/60/03/1297316003.db2.gz FMMKGDKNYZNUKD-VQHPVUNQSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578404 1297316018 /nfs/dbraw/zinc/31/60/18/1297316018.db2.gz FMMKGDKNYZNUKD-VQHPVUNQSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281266 1313431039 /nfs/dbraw/zinc/43/10/39/1313431039.db2.gz GOKJAJLQEPUYTD-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206273895 1313429536 /nfs/dbraw/zinc/42/95/36/1313429536.db2.gz CQQYNDJFAVPWFG-LJQANCHMSA-N 2 1 339.499 2.603 20 30 EFEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)cc1 ZINC001235998582 1313429632 /nfs/dbraw/zinc/42/96/32/1313429632.db2.gz NSFLRFFAUYHKKJ-HTZLVSCSSA-N 2 1 349.434 2.756 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610227 1313437588 /nfs/dbraw/zinc/43/75/88/1313437588.db2.gz CHLIRKYUAALTCJ-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017610227 1313437591 /nfs/dbraw/zinc/43/75/91/1313437591.db2.gz CHLIRKYUAALTCJ-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017610227 1313437595 /nfs/dbraw/zinc/43/75/95/1313437595.db2.gz CHLIRKYUAALTCJ-GBESFXJTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017616570 1313440217 /nfs/dbraw/zinc/44/02/17/1313440217.db2.gz CMBWKECIWQDGGW-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017616570 1313440219 /nfs/dbraw/zinc/44/02/19/1313440219.db2.gz CMBWKECIWQDGGW-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017616570 1313440222 /nfs/dbraw/zinc/44/02/22/1313440222.db2.gz CMBWKECIWQDGGW-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017616570 1313440225 /nfs/dbraw/zinc/44/02/25/1313440225.db2.gz CMBWKECIWQDGGW-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775819 1298062148 /nfs/dbraw/zinc/06/21/48/1298062148.db2.gz RSLULVGKJARWQI-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775819 1298062162 /nfs/dbraw/zinc/06/21/62/1298062162.db2.gz RSLULVGKJARWQI-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775819 1298062172 /nfs/dbraw/zinc/06/21/72/1298062172.db2.gz RSLULVGKJARWQI-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659700 1313460259 /nfs/dbraw/zinc/46/02/59/1313460259.db2.gz ZLTVHUXOQXNFNM-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659700 1313460261 /nfs/dbraw/zinc/46/02/61/1313460261.db2.gz ZLTVHUXOQXNFNM-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659700 1313460264 /nfs/dbraw/zinc/46/02/64/1313460264.db2.gz ZLTVHUXOQXNFNM-YRXWBPOGSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931636 1313460463 /nfs/dbraw/zinc/46/04/63/1313460463.db2.gz IXZDMCLCTBNQLQ-IKGGRYGDSA-N 2 1 331.460 2.643 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931636 1313460467 /nfs/dbraw/zinc/46/04/67/1313460467.db2.gz IXZDMCLCTBNQLQ-IKGGRYGDSA-N 2 1 331.460 2.643 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907219 1313466232 /nfs/dbraw/zinc/46/62/32/1313466232.db2.gz BMYUDBISGYOSTM-OALUTQOASA-N 2 1 327.472 2.613 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907218 1313466422 /nfs/dbraw/zinc/46/64/22/1313466422.db2.gz BMYUDBISGYOSTM-MOPGFXCFSA-N 2 1 327.472 2.613 20 30 EFEDMP CCCCCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308524 1313467942 /nfs/dbraw/zinc/46/79/42/1313467942.db2.gz GBXRHJFIHYWBIQ-UHFFFAOYSA-N 3 1 342.572 2.633 20 30 EFEDMP CCCCCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308524 1313467944 /nfs/dbraw/zinc/46/79/44/1313467944.db2.gz GBXRHJFIHYWBIQ-UHFFFAOYSA-N 3 1 342.572 2.633 20 30 EFEDMP N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320218 1313468335 /nfs/dbraw/zinc/46/83/35/1313468335.db2.gz MWEWXVBGRRXMSI-OKILXGFUSA-N 2 1 334.261 2.752 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909795 1313470556 /nfs/dbraw/zinc/47/05/56/1313470556.db2.gz CMENJUHCNJJKRN-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547022 1313473659 /nfs/dbraw/zinc/47/36/59/1313473659.db2.gz BSXVWGBEDIQJIH-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549085 1313474336 /nfs/dbraw/zinc/47/43/36/1313474336.db2.gz UKFQMYONVOZBBI-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913485 1313475919 /nfs/dbraw/zinc/47/59/19/1313475919.db2.gz YKFWJEBVOROSSN-OALUTQOASA-N 2 1 327.472 2.613 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156618 1298222833 /nfs/dbraw/zinc/22/28/33/1298222833.db2.gz LGTQAWKEXPQKAG-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603743 1313482460 /nfs/dbraw/zinc/48/24/60/1313482460.db2.gz UFCCZXRXZNQOEE-UHFFFAOYSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180408 1298256300 /nfs/dbraw/zinc/25/63/00/1298256300.db2.gz GVZUDQUVGBTLKN-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181352 1298258891 /nfs/dbraw/zinc/25/88/91/1298258891.db2.gz JHLKAUSKPAPEDJ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181352 1298258901 /nfs/dbraw/zinc/25/89/01/1298258901.db2.gz JHLKAUSKPAPEDJ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181352 1298258906 /nfs/dbraw/zinc/25/89/06/1298258906.db2.gz JHLKAUSKPAPEDJ-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182318 1298262992 /nfs/dbraw/zinc/26/29/92/1298262992.db2.gz LDQVSGVTQAMCTG-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961184742 1298267408 /nfs/dbraw/zinc/26/74/08/1298267408.db2.gz OEPUKUDTZHAHDG-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184742 1298267417 /nfs/dbraw/zinc/26/74/17/1298267417.db2.gz OEPUKUDTZHAHDG-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184742 1298267426 /nfs/dbraw/zinc/26/74/26/1298267426.db2.gz OEPUKUDTZHAHDG-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224119 1298358737 /nfs/dbraw/zinc/35/87/37/1298358737.db2.gz CXPCEWBTNRZQBW-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231296 1298375920 /nfs/dbraw/zinc/37/59/20/1298375920.db2.gz QHJWHVKANYZLPV-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259110 1298438340 /nfs/dbraw/zinc/43/83/40/1298438340.db2.gz GBVYQYYNVPEIJP-SJORKVTESA-N 2 1 344.503 2.824 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000961259110 1298438351 /nfs/dbraw/zinc/43/83/51/1298438351.db2.gz GBVYQYYNVPEIJP-SJORKVTESA-N 2 1 344.503 2.824 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604453 1313508843 /nfs/dbraw/zinc/50/88/43/1313508843.db2.gz JLCHLCJUBMMODL-QYZOEREBSA-N 2 1 327.472 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289386 1298500024 /nfs/dbraw/zinc/50/00/24/1298500024.db2.gz YRFUFMZEHJYDGF-RBUKOAKNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961340403 1298578756 /nfs/dbraw/zinc/57/87/56/1298578756.db2.gz KNRBCAZFGORTFR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961340403 1298578762 /nfs/dbraw/zinc/57/87/62/1298578762.db2.gz KNRBCAZFGORTFR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961340403 1298578771 /nfs/dbraw/zinc/57/87/71/1298578771.db2.gz KNRBCAZFGORTFR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961374330 1298641974 /nfs/dbraw/zinc/64/19/74/1298641974.db2.gz LBQYYVMIHLFETA-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374330 1298641985 /nfs/dbraw/zinc/64/19/85/1298641985.db2.gz LBQYYVMIHLFETA-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374330 1298641991 /nfs/dbraw/zinc/64/19/91/1298641991.db2.gz LBQYYVMIHLFETA-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961377988 1298650289 /nfs/dbraw/zinc/65/02/89/1298650289.db2.gz JRGIOQDXIHODJI-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377988 1298650299 /nfs/dbraw/zinc/65/02/99/1298650299.db2.gz JRGIOQDXIHODJI-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377988 1298650308 /nfs/dbraw/zinc/65/03/08/1298650308.db2.gz JRGIOQDXIHODJI-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961383740 1298658956 /nfs/dbraw/zinc/65/89/56/1298658956.db2.gz LUPPTLXMZVTYKT-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC000961390229 1298673337 /nfs/dbraw/zinc/67/33/37/1298673337.db2.gz AMAYHMUOVCNGTK-IBGZPJMESA-N 2 1 344.503 2.800 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961401311 1298692577 /nfs/dbraw/zinc/69/25/77/1298692577.db2.gz DGNCXROFHYYTBI-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961401311 1298692584 /nfs/dbraw/zinc/69/25/84/1298692584.db2.gz DGNCXROFHYYTBI-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961401311 1298692589 /nfs/dbraw/zinc/69/25/89/1298692589.db2.gz DGNCXROFHYYTBI-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403025 1298695609 /nfs/dbraw/zinc/69/56/09/1298695609.db2.gz TYTGQJPOZPDDMT-VQTJNVASSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411931 1298707998 /nfs/dbraw/zinc/70/79/98/1298707998.db2.gz QTHPXBMVCCQEJR-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961439265 1298748488 /nfs/dbraw/zinc/74/84/88/1298748488.db2.gz GWUXATNKEDMZPP-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961439265 1298748491 /nfs/dbraw/zinc/74/84/91/1298748491.db2.gz GWUXATNKEDMZPP-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441694 1298752034 /nfs/dbraw/zinc/75/20/34/1298752034.db2.gz QAQLQIUHJQBNLO-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441694 1298752049 /nfs/dbraw/zinc/75/20/49/1298752049.db2.gz QAQLQIUHJQBNLO-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961442466 1298754482 /nfs/dbraw/zinc/75/44/82/1298754482.db2.gz SWAGDEVFBUZFDJ-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442466 1298754488 /nfs/dbraw/zinc/75/44/88/1298754488.db2.gz SWAGDEVFBUZFDJ-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442466 1298754493 /nfs/dbraw/zinc/75/44/93/1298754493.db2.gz SWAGDEVFBUZFDJ-WOJBJXKFSA-N 2 1 347.547 2.855 20 30 EFEDMP C[NH+]1CCN(c2cccc(C[N@H+]3CCc4cc(C#N)ccc4C3)c2)CC1 ZINC001236886695 1313546743 /nfs/dbraw/zinc/54/67/43/1313546743.db2.gz CAEIRVPIMUOJBX-UHFFFAOYSA-N 2 1 346.478 2.868 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)(C#N)CC3)c(F)c2)CC1 ZINC001236943182 1313558090 /nfs/dbraw/zinc/55/80/90/1313558090.db2.gz QOSIPZDWMDUVAK-UHFFFAOYSA-N 2 1 330.451 2.703 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980235 1313579688 /nfs/dbraw/zinc/57/96/88/1313579688.db2.gz MXDDSPRAUJWWHE-NZSAHSFTSA-N 2 1 335.536 2.735 20 30 EFEDMP C(#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CNCCO3)cc1)c1ccccc1 ZINC001237143262 1313592513 /nfs/dbraw/zinc/59/25/13/1313592513.db2.gz QNWHADFJVHQNRU-JOCHJYFZSA-N 2 1 332.447 2.651 20 30 EFEDMP C(#Cc1ccc(C[N@H+]2CC[C@]3(C2)CNCCO3)cc1)c1ccccc1 ZINC001237143262 1313592514 /nfs/dbraw/zinc/59/25/14/1313592514.db2.gz QNWHADFJVHQNRU-JOCHJYFZSA-N 2 1 332.447 2.651 20 30 EFEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1C#N ZINC001207106841 1313614242 /nfs/dbraw/zinc/61/42/42/1313614242.db2.gz XGWRTAHCQLWKRY-UHFFFAOYSA-N 2 1 349.482 2.780 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962275616 1299539872 /nfs/dbraw/zinc/53/98/72/1299539872.db2.gz VYIKNFDFNDTABL-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275616 1299539876 /nfs/dbraw/zinc/53/98/76/1299539876.db2.gz VYIKNFDFNDTABL-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275616 1299539881 /nfs/dbraw/zinc/53/98/81/1299539881.db2.gz VYIKNFDFNDTABL-ZSYWTGECSA-N 2 1 333.520 2.654 20 30 EFEDMP Cc1ccc(C#N)c(NC(=O)C2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC001278089196 1313631625 /nfs/dbraw/zinc/63/16/25/1313631625.db2.gz DFPNXEVMJNLCRI-UHFFFAOYSA-N 2 1 340.471 2.611 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499858 1300327556 /nfs/dbraw/zinc/32/75/56/1300327556.db2.gz XOILZXPSJAKLEO-NOENWEJRSA-N 2 1 338.455 2.657 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482570 1313697276 /nfs/dbraw/zinc/69/72/76/1313697276.db2.gz OCNHFVGTAPNBSB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCC1CC[NH+](C)CC1)CCO2 ZINC001207482915 1313697423 /nfs/dbraw/zinc/69/74/23/1313697423.db2.gz HWRCNXNHVNXRAV-WOJBJXKFSA-N 2 1 336.520 2.792 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314263 1300575467 /nfs/dbraw/zinc/57/54/67/1300575467.db2.gz KGHMRRFEPKNNSM-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315245 1300580622 /nfs/dbraw/zinc/58/06/22/1300580622.db2.gz SBYVUVJSLRISCY-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315245 1300580627 /nfs/dbraw/zinc/58/06/27/1300580627.db2.gz SBYVUVJSLRISCY-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315245 1300580629 /nfs/dbraw/zinc/58/06/29/1300580629.db2.gz SBYVUVJSLRISCY-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963319090 1300590494 /nfs/dbraw/zinc/59/04/94/1300590494.db2.gz FUSZXAZXPJVJKN-OFLPRAFFSA-N 2 1 341.927 2.971 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963332284 1300619920 /nfs/dbraw/zinc/61/99/20/1300619920.db2.gz XFUVDDIIWTVZIL-VIQWUECVSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344970 1300649089 /nfs/dbraw/zinc/64/90/89/1300649089.db2.gz BRWNZXAHMGRQSN-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541210 1313711509 /nfs/dbraw/zinc/71/15/09/1313711509.db2.gz YVOTVKSLFSMLCD-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207541210 1313711513 /nfs/dbraw/zinc/71/15/13/1313711513.db2.gz YVOTVKSLFSMLCD-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207541210 1313711518 /nfs/dbraw/zinc/71/15/18/1313711518.db2.gz YVOTVKSLFSMLCD-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358271 1300681449 /nfs/dbraw/zinc/68/14/49/1300681449.db2.gz QCBHWUQWEMQUOM-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358271 1300681451 /nfs/dbraw/zinc/68/14/51/1300681451.db2.gz QCBHWUQWEMQUOM-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358271 1300681452 /nfs/dbraw/zinc/68/14/52/1300681452.db2.gz QCBHWUQWEMQUOM-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363860 1300694023 /nfs/dbraw/zinc/69/40/23/1300694023.db2.gz AETZGFZMDRHNFS-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364393 1300694946 /nfs/dbraw/zinc/69/49/46/1300694946.db2.gz BYGHOSPXUZHCEX-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384214 1300740608 /nfs/dbraw/zinc/74/06/08/1300740608.db2.gz RRAMCYVQPSZKLS-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384581 1300742954 /nfs/dbraw/zinc/74/29/54/1300742954.db2.gz VHAFAMHRZVEINK-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389812 1300752137 /nfs/dbraw/zinc/75/21/37/1300752137.db2.gz GUNOABFWFDVJNO-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018165848 1313722918 /nfs/dbraw/zinc/72/29/18/1313722918.db2.gz NQVGGXYTSCIQKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018165848 1313722921 /nfs/dbraw/zinc/72/29/21/1313722921.db2.gz NQVGGXYTSCIQKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018165848 1313722925 /nfs/dbraw/zinc/72/29/25/1313722925.db2.gz NQVGGXYTSCIQKT-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018165808 1313722720 /nfs/dbraw/zinc/72/27/20/1313722720.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018165808 1313722723 /nfs/dbraw/zinc/72/27/23/1313722723.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018165808 1313722728 /nfs/dbraw/zinc/72/27/28/1313722728.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018165808 1313722731 /nfs/dbraw/zinc/72/27/31/1313722731.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018165808 1313722735 /nfs/dbraw/zinc/72/27/35/1313722735.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682150 1313748685 /nfs/dbraw/zinc/74/86/85/1313748685.db2.gz BQIXQWIEXMIQJF-KZNAEPCWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963786039 1301314681 /nfs/dbraw/zinc/31/46/81/1301314681.db2.gz ADHYZNFPTXAWQS-HVEGKCCWSA-N 2 1 339.911 2.629 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccc3cncn31)C2 ZINC001238105998 1313762053 /nfs/dbraw/zinc/76/20/53/1313762053.db2.gz HZCSUMWVHQEQDP-HXUWFJFHSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105998 1313762056 /nfs/dbraw/zinc/76/20/56/1313762056.db2.gz HZCSUMWVHQEQDP-HXUWFJFHSA-N 2 1 338.455 2.867 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000963913401 1301468770 /nfs/dbraw/zinc/46/87/70/1301468770.db2.gz XWABMJBYEVLDSD-FHERZECASA-N 2 1 327.900 2.582 20 30 EFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963946582 1301504845 /nfs/dbraw/zinc/50/48/45/1301504845.db2.gz GNXMLLZLPZJBFX-OIFHUDRTSA-N 2 1 331.504 2.596 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310329 1313805218 /nfs/dbraw/zinc/80/52/18/1313805218.db2.gz KULWELAMKMQOAD-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310329 1313805221 /nfs/dbraw/zinc/80/52/21/1313805221.db2.gz KULWELAMKMQOAD-ZCNNSNEGSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312045 1313806270 /nfs/dbraw/zinc/80/62/70/1313806270.db2.gz AISTXEMWFUKRMG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208050245 1313835237 /nfs/dbraw/zinc/83/52/37/1313835237.db2.gz WWFUGMFIOZGHCF-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)[C@@H]1CC=C(CN2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CC1 ZINC001208171465 1313860755 /nfs/dbraw/zinc/86/07/55/1313860755.db2.gz UMCZAAULEXXRET-LJQANCHMSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CC1 ZINC001208171465 1313860758 /nfs/dbraw/zinc/86/07/58/1313860758.db2.gz UMCZAAULEXXRET-LJQANCHMSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619178 1303037902 /nfs/dbraw/zinc/03/79/02/1303037902.db2.gz ROGLVACONZHMRH-INDMIFKZSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000965314757 1303127102 /nfs/dbraw/zinc/12/71/02/1303127102.db2.gz WXORSCFYHLSMGQ-UHFFFAOYSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331040 1313901010 /nfs/dbraw/zinc/90/10/10/1313901010.db2.gz JSCPRKPGTUEFIY-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=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 ZINC001097209018 1313909359 /nfs/dbraw/zinc/90/93/59/1313909359.db2.gz AXJNECLSNWAMID-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP C=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 ZINC001097209018 1313909361 /nfs/dbraw/zinc/90/93/61/1313909361.db2.gz AXJNECLSNWAMID-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP C=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 ZINC001097209018 1313909362 /nfs/dbraw/zinc/90/93/62/1313909362.db2.gz AXJNECLSNWAMID-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412962 1313923068 /nfs/dbraw/zinc/92/30/68/1313923068.db2.gz UUNUUUJCIGKELK-YDZRNGNQSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412962 1313923071 /nfs/dbraw/zinc/92/30/71/1313923071.db2.gz UUNUUUJCIGKELK-YDZRNGNQSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412962 1313923073 /nfs/dbraw/zinc/92/30/73/1313923073.db2.gz UUNUUUJCIGKELK-YDZRNGNQSA-N 2 1 335.536 2.900 20 30 EFEDMP CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239323295 1313926166 /nfs/dbraw/zinc/92/61/66/1313926166.db2.gz SVESDXNHAOGEBG-MRXNPFEDSA-N 2 1 325.497 2.899 20 30 EFEDMP CCCCCCCCOC(=O)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239323295 1313926170 /nfs/dbraw/zinc/92/61/70/1313926170.db2.gz SVESDXNHAOGEBG-MRXNPFEDSA-N 2 1 325.497 2.899 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422575 1313926222 /nfs/dbraw/zinc/92/62/22/1313926222.db2.gz QTGAUANAQAFMNT-BFYDXBDKSA-N 2 1 333.476 2.746 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422575 1313926224 /nfs/dbraw/zinc/92/62/24/1313926224.db2.gz QTGAUANAQAFMNT-BFYDXBDKSA-N 2 1 333.476 2.746 20 30 EFEDMP CCCCCCCCOC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239338952 1313926855 /nfs/dbraw/zinc/92/68/55/1313926855.db2.gz HAGVVQRVIDKNJK-KRWDZBQOSA-N 2 1 325.497 2.981 20 30 EFEDMP CCCCCCCCCNC(=S)NCC[NH+]1CCC([NH3+])CC1 ZINC001239388822 1313932034 /nfs/dbraw/zinc/93/20/34/1313932034.db2.gz MYDGHTLFWIGWPC-UHFFFAOYSA-N 2 1 328.570 2.624 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114403031 1303869981 /nfs/dbraw/zinc/86/99/81/1303869981.db2.gz MBUMYSDXHISYSX-ZRNYENFQSA-N 2 1 349.563 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001114403031 1303869990 /nfs/dbraw/zinc/86/99/90/1303869990.db2.gz MBUMYSDXHISYSX-ZRNYENFQSA-N 2 1 349.563 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001114403031 1303869994 /nfs/dbraw/zinc/86/99/94/1303869994.db2.gz MBUMYSDXHISYSX-ZRNYENFQSA-N 2 1 349.563 2.981 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923002 1304761135 /nfs/dbraw/zinc/76/11/35/1304761135.db2.gz DMAHMNBMBNHUQM-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037923001 1304761780 /nfs/dbraw/zinc/76/17/80/1304761780.db2.gz DMAHMNBMBNHUQM-CVEARBPZSA-N 2 1 341.927 2.688 20 30 EFEDMP N#Cc1cc(-c2ccccc2CN2CCC([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001240360816 1314024928 /nfs/dbraw/zinc/02/49/28/1314024928.db2.gz PDJIDHJILHMZFQ-UHFFFAOYSA-N 2 1 346.478 2.835 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425219 1304978480 /nfs/dbraw/zinc/97/84/80/1304978480.db2.gz YOPMAZXWBFWMCE-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP N#Cc1cc(-c2ccccc2C[NH+]2CCOCC2)cc(C2C[NH2+]C2)c1 ZINC001240351662 1314023740 /nfs/dbraw/zinc/02/37/40/1314023740.db2.gz XPEPEMXTBKOQCZ-UHFFFAOYSA-N 2 1 333.435 2.744 20 30 EFEDMP N#Cc1cc(-c2ccc(CN3CCC([NH3+])CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360192 1314024356 /nfs/dbraw/zinc/02/43/56/1314024356.db2.gz AJMKLZHPFUTBAI-UHFFFAOYSA-N 2 1 346.478 2.835 20 30 EFEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208861871 1314031933 /nfs/dbraw/zinc/03/19/33/1314031933.db2.gz QWAXRKIIZNFAFU-UHFFFAOYSA-N 2 1 326.444 2.621 20 30 EFEDMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(C#N)cc1)C2 ZINC001208927166 1314048501 /nfs/dbraw/zinc/04/85/01/1314048501.db2.gz RGBUCMRVJIHHAQ-UHFFFAOYSA-N 2 1 337.471 2.653 20 30 EFEDMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(C#N)cc1)C2 ZINC001208927166 1314048505 /nfs/dbraw/zinc/04/85/05/1314048505.db2.gz RGBUCMRVJIHHAQ-UHFFFAOYSA-N 2 1 337.471 2.653 20 30 EFEDMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208927166 1314048508 /nfs/dbraw/zinc/04/85/08/1314048508.db2.gz RGBUCMRVJIHHAQ-UHFFFAOYSA-N 2 1 337.471 2.653 20 30 EFEDMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208927166 1314048512 /nfs/dbraw/zinc/04/85/12/1314048512.db2.gz RGBUCMRVJIHHAQ-UHFFFAOYSA-N 2 1 337.471 2.653 20 30 EFEDMP C[N@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926785 1314048686 /nfs/dbraw/zinc/04/86/86/1314048686.db2.gz BNIRQMXQVXSAMD-UHFFFAOYSA-N 2 1 327.472 2.676 20 30 EFEDMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926785 1314048688 /nfs/dbraw/zinc/04/86/88/1314048688.db2.gz BNIRQMXQVXSAMD-UHFFFAOYSA-N 2 1 327.472 2.676 20 30 EFEDMP Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070787 /nfs/dbraw/zinc/07/07/87/1314070787.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 1 337.471 2.713 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070789 /nfs/dbraw/zinc/07/07/89/1314070789.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 1 337.471 2.713 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858196 1314426141 /nfs/dbraw/zinc/42/61/41/1314426141.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858196 1314426143 /nfs/dbraw/zinc/42/61/43/1314426143.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858196 1314426145 /nfs/dbraw/zinc/42/61/45/1314426145.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209156536 1314101769 /nfs/dbraw/zinc/10/17/69/1314101769.db2.gz DCBSCNLIHUMTNC-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209156536 1314101772 /nfs/dbraw/zinc/10/17/72/1314101772.db2.gz DCBSCNLIHUMTNC-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209156536 1314101776 /nfs/dbraw/zinc/10/17/76/1314101776.db2.gz DCBSCNLIHUMTNC-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223973 1314119745 /nfs/dbraw/zinc/11/97/45/1314119745.db2.gz XROXWHYWLDMYGU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001209263761 1314128152 /nfs/dbraw/zinc/12/81/52/1314128152.db2.gz QARWSBXDCILTJL-UHFFFAOYSA-N 2 1 342.483 2.775 20 30 EFEDMP C#CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001209263761 1314128155 /nfs/dbraw/zinc/12/81/55/1314128155.db2.gz QARWSBXDCILTJL-UHFFFAOYSA-N 2 1 342.483 2.775 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673213 1306555975 /nfs/dbraw/zinc/55/59/75/1306555975.db2.gz JBIRCOYYJODGHV-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681094 1306563271 /nfs/dbraw/zinc/56/32/71/1306563271.db2.gz GRTNYVYBJUKNDI-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690712 1306571548 /nfs/dbraw/zinc/57/15/48/1306571548.db2.gz ARVXCNHMFCRRMU-SJLPKXTDSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927190 1306707402 /nfs/dbraw/zinc/70/74/02/1306707402.db2.gz JHHHBRHKCFSWGI-VXNCWWDNSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927190 1306707408 /nfs/dbraw/zinc/70/74/08/1306707408.db2.gz JHHHBRHKCFSWGI-VXNCWWDNSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001209351706 1314145453 /nfs/dbraw/zinc/14/54/53/1314145453.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209351706 1314145454 /nfs/dbraw/zinc/14/54/54/1314145454.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 1 332.492 2.771 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209351706 1314145455 /nfs/dbraw/zinc/14/54/55/1314145455.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 1 332.492 2.771 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887532 1306760459 /nfs/dbraw/zinc/76/04/59/1306760459.db2.gz HFRPOQLPCUKHOY-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887532 1306760465 /nfs/dbraw/zinc/76/04/65/1306760465.db2.gz HFRPOQLPCUKHOY-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887532 1306760470 /nfs/dbraw/zinc/76/04/70/1306760470.db2.gz HFRPOQLPCUKHOY-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887862 1306760867 /nfs/dbraw/zinc/76/08/67/1306760867.db2.gz NZPRWNGKMXDYBL-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913210 1306786975 /nfs/dbraw/zinc/78/69/75/1306786975.db2.gz CUYFCRGGTZUJRJ-SFHVURJKSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022258 1306898370 /nfs/dbraw/zinc/89/83/70/1306898370.db2.gz ALPHLTZVINWKIA-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022258 1306898376 /nfs/dbraw/zinc/89/83/76/1306898376.db2.gz ALPHLTZVINWKIA-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022260 1306898692 /nfs/dbraw/zinc/89/86/92/1306898692.db2.gz ALPHLTZVINWKIA-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022260 1306898696 /nfs/dbraw/zinc/89/86/96/1306898696.db2.gz ALPHLTZVINWKIA-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCCCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209423514 1314161186 /nfs/dbraw/zinc/16/11/86/1314161186.db2.gz WCUKKNMMQVAFEF-UHFFFAOYSA-N 2 1 331.504 2.557 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020518 1307263494 /nfs/dbraw/zinc/26/34/94/1307263494.db2.gz IQSXZJHRPRSBNI-AABGKKOBSA-N 2 1 341.499 2.702 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045461243 1307356558 /nfs/dbraw/zinc/35/65/58/1307356558.db2.gz UDIICEPOSWQBFD-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045478928 1307369208 /nfs/dbraw/zinc/36/92/08/1307369208.db2.gz JMAOALHWXUBHRU-HZPDHXFCSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045478928 1307369209 /nfs/dbraw/zinc/36/92/09/1307369209.db2.gz JMAOALHWXUBHRU-HZPDHXFCSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001007331131 1307372108 /nfs/dbraw/zinc/37/21/08/1307372108.db2.gz BVCLZPVEOFHPPJ-KRWDZBQOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531733 1307407523 /nfs/dbraw/zinc/40/75/23/1307407523.db2.gz PVXFBVCJIYUTMS-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531733 1307407526 /nfs/dbraw/zinc/40/75/26/1307407526.db2.gz PVXFBVCJIYUTMS-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061073 1307792924 /nfs/dbraw/zinc/79/29/24/1307792924.db2.gz GPGLHVDZIUCNKR-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209652009 1314210634 /nfs/dbraw/zinc/21/06/34/1314210634.db2.gz WIESDVDCMILGDS-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921190 1307897170 /nfs/dbraw/zinc/89/71/70/1307897170.db2.gz HJXHFDTVYKYVPL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921190 1307897176 /nfs/dbraw/zinc/89/71/76/1307897176.db2.gz HJXHFDTVYKYVPL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921190 1307897179 /nfs/dbraw/zinc/89/71/79/1307897179.db2.gz HJXHFDTVYKYVPL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942718 1307955202 /nfs/dbraw/zinc/95/52/02/1307955202.db2.gz XVGFEMLRTYCYRA-TZIWHRDSSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045942917 1307955223 /nfs/dbraw/zinc/95/52/23/1307955223.db2.gz CVMQYSVYTPMLMX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942917 1307955226 /nfs/dbraw/zinc/95/52/26/1307955226.db2.gz CVMQYSVYTPMLMX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942917 1307955229 /nfs/dbraw/zinc/95/52/29/1307955229.db2.gz CVMQYSVYTPMLMX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943953 1307959399 /nfs/dbraw/zinc/95/93/99/1307959399.db2.gz SAVHMMHZVMCKDI-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943953 1307959406 /nfs/dbraw/zinc/95/94/06/1307959406.db2.gz SAVHMMHZVMCKDI-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945724 1307965568 /nfs/dbraw/zinc/96/55/68/1307965568.db2.gz YEOALKYVRNNVIY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945724 1307965571 /nfs/dbraw/zinc/96/55/71/1307965571.db2.gz YEOALKYVRNNVIY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945724 1307965576 /nfs/dbraw/zinc/96/55/76/1307965576.db2.gz YEOALKYVRNNVIY-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949962 1307977292 /nfs/dbraw/zinc/97/72/92/1307977292.db2.gz SFSYIPKVCQRGBF-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949962 1307977294 /nfs/dbraw/zinc/97/72/94/1307977294.db2.gz SFSYIPKVCQRGBF-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949962 1307977298 /nfs/dbraw/zinc/97/72/98/1307977298.db2.gz SFSYIPKVCQRGBF-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958530 1308000414 /nfs/dbraw/zinc/00/04/14/1308000414.db2.gz SUUJFFICWTUJRM-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960580 1308005903 /nfs/dbraw/zinc/00/59/03/1308005903.db2.gz NENLEBOVVDAORI-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966393 1308022319 /nfs/dbraw/zinc/02/23/19/1308022319.db2.gz VGJQSUIENDUKKY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966393 1308022324 /nfs/dbraw/zinc/02/23/24/1308022324.db2.gz VGJQSUIENDUKKY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966393 1308022329 /nfs/dbraw/zinc/02/23/29/1308022329.db2.gz VGJQSUIENDUKKY-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045968372 1308028467 /nfs/dbraw/zinc/02/84/67/1308028467.db2.gz AHVWIGNYSVQQFJ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045968372 1308028473 /nfs/dbraw/zinc/02/84/73/1308028473.db2.gz AHVWIGNYSVQQFJ-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045971018 1308036999 /nfs/dbraw/zinc/03/69/99/1308036999.db2.gz LBVHKXSHWVIUJK-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045973506 1308043334 /nfs/dbraw/zinc/04/33/34/1308043334.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973506 1308043339 /nfs/dbraw/zinc/04/33/39/1308043339.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973506 1308043343 /nfs/dbraw/zinc/04/33/43/1308043343.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976020 1308050227 /nfs/dbraw/zinc/05/02/27/1308050227.db2.gz OUEQEYAVGPJDEJ-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980099 1308065201 /nfs/dbraw/zinc/06/52/01/1308065201.db2.gz QSMZXWIUNZLJQP-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980099 1308065207 /nfs/dbraw/zinc/06/52/07/1308065207.db2.gz QSMZXWIUNZLJQP-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980099 1308065213 /nfs/dbraw/zinc/06/52/13/1308065213.db2.gz QSMZXWIUNZLJQP-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982153 1308074230 /nfs/dbraw/zinc/07/42/30/1308074230.db2.gz PKJOKBXBFZDVPC-IBGZPJMESA-N 2 1 330.476 2.541 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982961 1308076337 /nfs/dbraw/zinc/07/63/37/1308076337.db2.gz HQUMOZFOCAUXGB-SFHVURJKSA-N 2 1 339.911 2.539 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045985950 1308085347 /nfs/dbraw/zinc/08/53/47/1308085347.db2.gz FLZTYJRTIOEKAC-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045985950 1308085349 /nfs/dbraw/zinc/08/53/49/1308085349.db2.gz FLZTYJRTIOEKAC-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045985950 1308085352 /nfs/dbraw/zinc/08/53/52/1308085352.db2.gz FLZTYJRTIOEKAC-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985932 1308085847 /nfs/dbraw/zinc/08/58/47/1308085847.db2.gz FJJZHMKVHPHRIL-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985936 1308086050 /nfs/dbraw/zinc/08/60/50/1308086050.db2.gz FJJZHMKVHPHRIL-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540921 1308144237 /nfs/dbraw/zinc/14/42/37/1308144237.db2.gz QEPUFFXOIIOVSA-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680177 1308606205 /nfs/dbraw/zinc/60/62/05/1308606205.db2.gz FUEOFBOKTASAKA-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009687275 1308608234 /nfs/dbraw/zinc/60/82/34/1308608234.db2.gz ZOIVPKJVMJUFAM-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957526 1314264210 /nfs/dbraw/zinc/26/42/10/1314264210.db2.gz AGCUWXHGFGVLOJ-ZHALLVOQSA-N 2 1 335.536 2.898 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179061 1314292580 /nfs/dbraw/zinc/29/25/80/1314292580.db2.gz HEJYZIVYMXYFGD-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP N#Cc1c(F)c(F)cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1F ZINC001210271315 1314307058 /nfs/dbraw/zinc/30/70/58/1314307058.db2.gz MUFVBRIBHVOSJH-UHFFFAOYSA-N 2 1 333.317 2.524 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712154 1314319121 /nfs/dbraw/zinc/31/91/21/1314319121.db2.gz GEVIYZAUQHKCTO-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712154 1314319123 /nfs/dbraw/zinc/31/91/23/1314319123.db2.gz GEVIYZAUQHKCTO-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853238 1309528133 /nfs/dbraw/zinc/52/81/33/1309528133.db2.gz UPTQTGVHPOGKAJ-FQEVSTJZSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046995344 1309880162 /nfs/dbraw/zinc/88/01/62/1309880162.db2.gz OQWJOUBXGWZTSK-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046995344 1309880171 /nfs/dbraw/zinc/88/01/71/1309880171.db2.gz OQWJOUBXGWZTSK-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046995344 1309880181 /nfs/dbraw/zinc/88/01/81/1309880181.db2.gz OQWJOUBXGWZTSK-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764645 1314358700 /nfs/dbraw/zinc/35/87/00/1314358700.db2.gz QBPVLROVRSWOAR-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764645 1314358704 /nfs/dbraw/zinc/35/87/04/1314358704.db2.gz QBPVLROVRSWOAR-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764645 1314358707 /nfs/dbraw/zinc/35/87/07/1314358707.db2.gz QBPVLROVRSWOAR-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225407 1310351952 /nfs/dbraw/zinc/35/19/52/1310351952.db2.gz DIQLOBUXPQPSFV-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240496 1310388514 /nfs/dbraw/zinc/38/85/14/1310388514.db2.gz DOVUAVIVBROJQO-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241420 1310392676 /nfs/dbraw/zinc/39/26/76/1310392676.db2.gz POVPBVASCMLIQQ-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047243999 1310399255 /nfs/dbraw/zinc/39/92/55/1310399255.db2.gz OPBXHLJDGVXANV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265434 1310457947 /nfs/dbraw/zinc/45/79/47/1310457947.db2.gz RIASTGMCDLRPEC-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664059 1311009707 /nfs/dbraw/zinc/00/97/07/1311009707.db2.gz CECKWYCBECTYGK-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664059 1311009708 /nfs/dbraw/zinc/00/97/08/1311009708.db2.gz CECKWYCBECTYGK-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664059 1311009709 /nfs/dbraw/zinc/00/97/09/1311009709.db2.gz CECKWYCBECTYGK-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688803 1311013214 /nfs/dbraw/zinc/01/32/14/1311013214.db2.gz PUAJGWCCCWXABV-GPMSIDNRSA-N 2 1 338.455 2.835 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221710616 1311017207 /nfs/dbraw/zinc/01/72/07/1311017207.db2.gz AVLGSQSFEWXTND-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772820 1311029084 /nfs/dbraw/zinc/02/90/84/1311029084.db2.gz OOMBKJFZAJURIC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817584 1311038020 /nfs/dbraw/zinc/03/80/20/1311038020.db2.gz ZBXRMFMMNRFKAS-KZNAEPCWSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817584 1311038021 /nfs/dbraw/zinc/03/80/21/1311038021.db2.gz ZBXRMFMMNRFKAS-KZNAEPCWSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817584 1311038025 /nfs/dbraw/zinc/03/80/25/1311038025.db2.gz ZBXRMFMMNRFKAS-KZNAEPCWSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841691 1311041715 /nfs/dbraw/zinc/04/17/15/1311041715.db2.gz CWRVULGIBAVWKB-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841691 1311041718 /nfs/dbraw/zinc/04/17/18/1311041718.db2.gz CWRVULGIBAVWKB-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841629 1311041911 /nfs/dbraw/zinc/04/19/11/1311041911.db2.gz AAKMUXOGVZGWAC-RCCFBDPRSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841629 1311041913 /nfs/dbraw/zinc/04/19/13/1311041913.db2.gz AAKMUXOGVZGWAC-RCCFBDPRSA-N 2 1 344.503 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848756 1311042897 /nfs/dbraw/zinc/04/28/97/1311042897.db2.gz FKYRPEQXSJXUJK-QXAKKESOSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877822 1311046973 /nfs/dbraw/zinc/04/69/73/1311046973.db2.gz LCYJBSOECFOLNR-QRVBRYPASA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889810 1311049229 /nfs/dbraw/zinc/04/92/29/1311049229.db2.gz QWWRTEAIUXYJSB-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940434 1311056624 /nfs/dbraw/zinc/05/66/24/1311056624.db2.gz FKINULHPSSSUOI-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945484 1311058189 /nfs/dbraw/zinc/05/81/89/1311058189.db2.gz QXVZPFQQGZRVTF-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945484 1311058193 /nfs/dbraw/zinc/05/81/93/1311058193.db2.gz QXVZPFQQGZRVTF-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945484 1311058198 /nfs/dbraw/zinc/05/81/98/1311058198.db2.gz QXVZPFQQGZRVTF-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001222051106 1311074219 /nfs/dbraw/zinc/07/42/19/1311074219.db2.gz NIZZWQRXJHPZLP-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001222051106 1311074222 /nfs/dbraw/zinc/07/42/22/1311074222.db2.gz NIZZWQRXJHPZLP-VAMGGRTRSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050016 1311074286 /nfs/dbraw/zinc/07/42/86/1311074286.db2.gz QZQRYEOXGVQOJT-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001099359950 1311089520 /nfs/dbraw/zinc/08/95/20/1311089520.db2.gz UWXWGSRWQUQIGT-QGZVFWFLSA-N 2 1 332.492 2.846 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491138 1311097717 /nfs/dbraw/zinc/09/77/17/1311097717.db2.gz YTSVOENSMPSAOP-MANSERQUSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099547254 1311101063 /nfs/dbraw/zinc/10/10/63/1311101063.db2.gz BRHJOHSPLZXARO-MUGJNUQGSA-N 2 1 347.547 2.853 20 30 EFEDMP C(#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1)c1ccccc1 ZINC001222497592 1311141770 /nfs/dbraw/zinc/14/17/70/1311141770.db2.gz QXMKHVHEMALCEE-GOTSBHOMSA-N 2 1 345.490 2.612 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601805 1311158484 /nfs/dbraw/zinc/15/84/84/1311158484.db2.gz AAUFCQHLWNCTGO-NRFANRHFSA-N 2 1 332.447 2.888 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601805 1311158487 /nfs/dbraw/zinc/15/84/87/1311158487.db2.gz AAUFCQHLWNCTGO-NRFANRHFSA-N 2 1 332.447 2.888 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001222818247 1311187940 /nfs/dbraw/zinc/18/79/40/1311187940.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222818247 1311187941 /nfs/dbraw/zinc/18/79/41/1311187941.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222818247 1311187943 /nfs/dbraw/zinc/18/79/43/1311187943.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222940938 1311201542 /nfs/dbraw/zinc/20/15/42/1311201542.db2.gz AGXVCYYCIQMJDT-KURKYZTESA-N 2 1 330.476 2.579 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001223039379 1311211671 /nfs/dbraw/zinc/21/16/71/1311211671.db2.gz ICKLHUVWDDWMFX-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001223039379 1311211675 /nfs/dbraw/zinc/21/16/75/1311211675.db2.gz ICKLHUVWDDWMFX-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001223039379 1311211679 /nfs/dbraw/zinc/21/16/79/1311211679.db2.gz ICKLHUVWDDWMFX-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313579 1311232174 /nfs/dbraw/zinc/23/21/74/1311232174.db2.gz DOQRJVLMDCNCNJ-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313701 1311232423 /nfs/dbraw/zinc/23/24/23/1311232423.db2.gz KLGSQGAHLDUBEX-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402357 1311239016 /nfs/dbraw/zinc/23/90/16/1311239016.db2.gz FGXOZBOICHZYIR-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101549072 1311248823 /nfs/dbraw/zinc/24/88/23/1311248823.db2.gz ZKDBKTPJUQPTKP-LJQANCHMSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101589293 1311251946 /nfs/dbraw/zinc/25/19/46/1311251946.db2.gz GJQLSMQTFQFNAI-QGZVFWFLSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489766 1311267511 /nfs/dbraw/zinc/26/75/11/1311267511.db2.gz VYDBHLPEVNHXDB-QYZOEREBSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)C[C@@H]21 ZINC001223581025 1311278350 /nfs/dbraw/zinc/27/83/50/1311278350.db2.gz WUMVJSGSRVDUBX-KURKYZTESA-N 2 1 330.476 2.723 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108297 1311282009 /nfs/dbraw/zinc/28/20/09/1311282009.db2.gz FXRBHXOUPKOTHH-QZTJIDSGSA-N 2 1 344.503 2.558 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108582 1311282302 /nfs/dbraw/zinc/28/23/02/1311282302.db2.gz SPPAJNHGMSYIMD-QZTJIDSGSA-N 2 1 344.503 2.558 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102112923 1311283994 /nfs/dbraw/zinc/28/39/94/1311283994.db2.gz MSRISZKMBIEWHL-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102112923 1311283998 /nfs/dbraw/zinc/28/39/98/1311283998.db2.gz MSRISZKMBIEWHL-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102112923 1311284000 /nfs/dbraw/zinc/28/40/00/1311284000.db2.gz MSRISZKMBIEWHL-IAGOWNOFSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432123 1311310561 /nfs/dbraw/zinc/31/05/61/1311310561.db2.gz NCJHIAPXVPRGFR-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432123 1311310565 /nfs/dbraw/zinc/31/05/65/1311310565.db2.gz NCJHIAPXVPRGFR-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 ZINC001223912384 1311320158 /nfs/dbraw/zinc/32/01/58/1311320158.db2.gz RZMNHNCGBPYKFK-MJGOQNOKSA-N 2 1 346.519 2.856 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153733 1311351594 /nfs/dbraw/zinc/35/15/94/1311351594.db2.gz WJLSVMWDCLBWMZ-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001224228463 1311363218 /nfs/dbraw/zinc/36/32/18/1311363218.db2.gz XXPWPPWHICHYTI-AOIWGVFYSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001224476687 1311396389 /nfs/dbraw/zinc/39/63/89/1311396389.db2.gz JCHZDYXJENHPLZ-MRXNPFEDSA-N 2 1 329.916 2.688 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC=C)CC1 ZINC001158913788 1311415763 /nfs/dbraw/zinc/41/57/63/1311415763.db2.gz DFHWNTXXGJWYAY-HXUWFJFHSA-N 2 1 345.531 2.611 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001277006825 1311450321 /nfs/dbraw/zinc/45/03/21/1311450321.db2.gz GAKZOTDAKALMSH-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001277006825 1311450323 /nfs/dbraw/zinc/45/03/23/1311450323.db2.gz GAKZOTDAKALMSH-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225167866 1311485475 /nfs/dbraw/zinc/48/54/75/1311485475.db2.gz DMPYMLJBDXBXBX-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577410 1311546832 /nfs/dbraw/zinc/54/68/32/1311546832.db2.gz GWXNKLMXXUMMNZ-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155451 1311656330 /nfs/dbraw/zinc/65/63/30/1311656330.db2.gz GIFBQJHQFJJWHR-FXAWDEMLSA-N 2 1 345.531 2.821 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001160209452 1311665511 /nfs/dbraw/zinc/66/55/11/1311665511.db2.gz KUPFYWFGFRZRCM-NRFANRHFSA-N 2 1 349.478 2.533 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001160209452 1311665515 /nfs/dbraw/zinc/66/55/15/1311665515.db2.gz KUPFYWFGFRZRCM-NRFANRHFSA-N 2 1 349.478 2.533 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399877 1311703463 /nfs/dbraw/zinc/70/34/63/1311703463.db2.gz FTBJOOFAJAOPJQ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399877 1311703465 /nfs/dbraw/zinc/70/34/65/1311703465.db2.gz FTBJOOFAJAOPJQ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399877 1311703467 /nfs/dbraw/zinc/70/34/67/1311703467.db2.gz FTBJOOFAJAOPJQ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226775630 1311721108 /nfs/dbraw/zinc/72/11/08/1311721108.db2.gz VAUKZDZNBWDHQC-GUDVDZBRSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226774463 1311721110 /nfs/dbraw/zinc/72/11/10/1311721110.db2.gz MVXAGIQMTXTPQP-ZACQAIPSSA-N 2 1 330.476 2.744 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277153190 1311726773 /nfs/dbraw/zinc/72/67/73/1311726773.db2.gz XZCZXBDYJRLLOG-XLIONFOSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160544586 1311733083 /nfs/dbraw/zinc/73/30/83/1311733083.db2.gz LDCKHHOVRDTCEZ-UHFFFAOYSA-N 2 1 342.487 2.622 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211966 1311777265 /nfs/dbraw/zinc/77/72/65/1311777265.db2.gz LQXKRMHJDUILOB-USXIJHARSA-N 2 1 348.491 2.722 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001160787190 1311781270 /nfs/dbraw/zinc/78/12/70/1311781270.db2.gz KCRQQFSXAFKPBW-UHFFFAOYSA-N 2 1 341.499 2.729 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543585 1311818898 /nfs/dbraw/zinc/81/88/98/1311818898.db2.gz LHKBSBPCEKGLSM-IAGOWNOFSA-N 2 1 344.503 2.745 20 30 EFEDMP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160958232 1311821547 /nfs/dbraw/zinc/82/15/47/1311821547.db2.gz XXGXJLCVBQTHCH-CUWPLCDZSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986717 1311829005 /nfs/dbraw/zinc/82/90/05/1311829005.db2.gz UCWXVVHKUWASFR-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986717 1311829009 /nfs/dbraw/zinc/82/90/09/1311829009.db2.gz UCWXVVHKUWASFR-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986717 1311829011 /nfs/dbraw/zinc/82/90/11/1311829011.db2.gz UCWXVVHKUWASFR-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537372 1311877429 /nfs/dbraw/zinc/87/74/29/1311877429.db2.gz QFPAINGJDWLRLR-REPLKXPHSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538854 1311879740 /nfs/dbraw/zinc/87/97/40/1311879740.db2.gz DJDODZQATORNRZ-FCGDIQPGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538854 1311879742 /nfs/dbraw/zinc/87/97/42/1311879742.db2.gz DJDODZQATORNRZ-FCGDIQPGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538854 1311879744 /nfs/dbraw/zinc/87/97/44/1311879744.db2.gz DJDODZQATORNRZ-FCGDIQPGSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472486 1311896827 /nfs/dbraw/zinc/89/68/27/1311896827.db2.gz VBNPKNGEBJWWTH-UHFFFAOYSA-N 2 1 327.472 2.686 20 30 EFEDMP C=CCCCCC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001228105655 1311900260 /nfs/dbraw/zinc/90/02/60/1311900260.db2.gz JBBUYKXHFFTMFJ-UHFFFAOYSA-N 2 1 348.491 2.677 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560052 1311905420 /nfs/dbraw/zinc/90/54/20/1311905420.db2.gz DWGUKNCFHZMVII-GGPHIMKMSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048561785 1311907292 /nfs/dbraw/zinc/90/72/92/1311907292.db2.gz FKVXMQHQIJDNMV-OYSTVDSJSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048561785 1311907294 /nfs/dbraw/zinc/90/72/94/1311907294.db2.gz FKVXMQHQIJDNMV-OYSTVDSJSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048561785 1311907296 /nfs/dbraw/zinc/90/72/96/1311907296.db2.gz FKVXMQHQIJDNMV-OYSTVDSJSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570657 1311918252 /nfs/dbraw/zinc/91/82/52/1311918252.db2.gz UEPBTELESDDCLA-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570657 1311918256 /nfs/dbraw/zinc/91/82/56/1311918256.db2.gz UEPBTELESDDCLA-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570657 1311918259 /nfs/dbraw/zinc/91/82/59/1311918259.db2.gz UEPBTELESDDCLA-QXCZDIPSSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574181 1311922117 /nfs/dbraw/zinc/92/21/17/1311922117.db2.gz RPZWCBLTWDWTFW-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574181 1311922121 /nfs/dbraw/zinc/92/21/21/1311922121.db2.gz RPZWCBLTWDWTFW-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574181 1311922125 /nfs/dbraw/zinc/92/21/25/1311922125.db2.gz RPZWCBLTWDWTFW-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583424 1311933129 /nfs/dbraw/zinc/93/31/29/1311933129.db2.gz KOTAFFLUCDOYKT-ZSXDVEMLSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048589979 1311941695 /nfs/dbraw/zinc/94/16/95/1311941695.db2.gz GGDOTDJJAHXVBR-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589979 1311941697 /nfs/dbraw/zinc/94/16/97/1311941697.db2.gz GGDOTDJJAHXVBR-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589979 1311941700 /nfs/dbraw/zinc/94/17/00/1311941700.db2.gz GGDOTDJJAHXVBR-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733408 1311961545 /nfs/dbraw/zinc/96/15/45/1311961545.db2.gz BHKMRTHUNGZZOH-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733408 1311961549 /nfs/dbraw/zinc/96/15/49/1311961549.db2.gz BHKMRTHUNGZZOH-UHFFFAOYSA-N 2 1 327.900 2.609 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869838 1311991538 /nfs/dbraw/zinc/99/15/38/1311991538.db2.gz NAKCRXTWNXAVLW-MRXNPFEDSA-N 2 1 330.476 2.685 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869838 1311991539 /nfs/dbraw/zinc/99/15/39/1311991539.db2.gz NAKCRXTWNXAVLW-MRXNPFEDSA-N 2 1 330.476 2.685 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925044 1312004813 /nfs/dbraw/zinc/00/48/13/1312004813.db2.gz VBQCTARRDBTCJK-HOTGVXAUSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925044 1312004816 /nfs/dbraw/zinc/00/48/16/1312004816.db2.gz VBQCTARRDBTCJK-HOTGVXAUSA-N 2 1 339.911 2.750 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930761 1312005928 /nfs/dbraw/zinc/00/59/28/1312005928.db2.gz INVIVEZWPXEXCO-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000902792816 1312111726 /nfs/dbraw/zinc/11/17/26/1312111726.db2.gz DMKWAZGRCRMGMI-FQEVSTJZSA-N 2 1 328.504 2.873 20 30 EFEDMP C[C@@H]1C[C@@H](CNc2[nH+]cc3c(c2C#N)N(Cc2ccccc2)CC3)C[NH2+]1 ZINC001162553161 1312123326 /nfs/dbraw/zinc/12/33/26/1312123326.db2.gz WMWMDZXSKPPYHJ-NVXWUHKLSA-N 2 1 347.466 2.926 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162747559 1312166379 /nfs/dbraw/zinc/16/63/79/1312166379.db2.gz ZUJIDKHFAOFRTF-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977710 1312217386 /nfs/dbraw/zinc/21/73/86/1312217386.db2.gz UOHXBJWDKWBGNQ-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987703 1312219243 /nfs/dbraw/zinc/21/92/43/1312219243.db2.gz VEBMGEFEEBRUJY-UHFFFAOYSA-N 2 1 331.504 2.565 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987835 1312219677 /nfs/dbraw/zinc/21/96/77/1312219677.db2.gz ZBSGFONSGBEBJZ-UHFFFAOYSA-N 2 1 331.504 2.565 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001163002158 1312223570 /nfs/dbraw/zinc/22/35/70/1312223570.db2.gz XJOHCDIMQXQLPH-HXUWFJFHSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001163006635 1312224469 /nfs/dbraw/zinc/22/44/69/1312224469.db2.gz HDOCLWMTKIVOKC-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006238 1312224610 /nfs/dbraw/zinc/22/46/10/1312224610.db2.gz AONFPYUNOXFOGD-UHFFFAOYSA-N 2 1 345.531 2.954 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001230575901 1312271375 /nfs/dbraw/zinc/27/13/75/1312271375.db2.gz SIBWYQHQPZQOTA-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591849 1312276101 /nfs/dbraw/zinc/27/61/01/1312276101.db2.gz LLBJYQGWXLZEEK-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001230591751 1312276429 /nfs/dbraw/zinc/27/64/29/1312276429.db2.gz ILZUVLSWADAYJO-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001230598099 1312278476 /nfs/dbraw/zinc/27/84/76/1312278476.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001230598099 1312278480 /nfs/dbraw/zinc/27/84/80/1312278480.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001230598099 1312278484 /nfs/dbraw/zinc/27/84/84/1312278484.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230613028 1312284109 /nfs/dbraw/zinc/28/41/09/1312284109.db2.gz JZFMEXGBWDPVOJ-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230627110 1312288595 /nfs/dbraw/zinc/28/85/95/1312288595.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627110 1312288599 /nfs/dbraw/zinc/28/85/99/1312288599.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627110 1312288602 /nfs/dbraw/zinc/28/86/02/1312288602.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C[NH+](C)C1(CNc2ccc(C#C[Si](C)(C)C)cn2)CC[NH+](C)CC1 ZINC001164207416 1312468234 /nfs/dbraw/zinc/46/82/34/1312468234.db2.gz WRZGJJKQDUXMHS-UHFFFAOYSA-N 2 1 344.579 2.748 20 30 EFEDMP C[NH+](C)C1(CNc2ccc(C#C[Si](C)(C)C)nc2)CC[NH+](C)CC1 ZINC001164216492 1312470602 /nfs/dbraw/zinc/47/06/02/1312470602.db2.gz DQZAXUGKOHUKEC-UHFFFAOYSA-N 2 1 344.579 2.748 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165540 1312532926 /nfs/dbraw/zinc/53/29/26/1312532926.db2.gz SPXRAVVZFMZTRY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165540 1312532928 /nfs/dbraw/zinc/53/29/28/1312532928.db2.gz SPXRAVVZFMZTRY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165540 1312532931 /nfs/dbraw/zinc/53/29/31/1312532931.db2.gz SPXRAVVZFMZTRY-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582706 1312544117 /nfs/dbraw/zinc/54/41/17/1312544117.db2.gz NPWQATWCSYOJRI-OKZBNKHCSA-N 2 1 335.536 2.948 20 30 EFEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)n2)CC1 ZINC001165110055 1312569687 /nfs/dbraw/zinc/56/96/87/1312569687.db2.gz BCFCYOWBOMHNTN-GOSISDBHSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001165110055 1312569690 /nfs/dbraw/zinc/56/96/90/1312569690.db2.gz BCFCYOWBOMHNTN-GOSISDBHSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001165110055 1312569693 /nfs/dbraw/zinc/56/96/93/1312569693.db2.gz BCFCYOWBOMHNTN-GOSISDBHSA-N 2 1 328.460 2.536 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015473 1312606090 /nfs/dbraw/zinc/60/60/90/1312606090.db2.gz XDRGQGWYJXOZRS-HKUYNNGSSA-N 2 1 327.428 2.889 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484376 1312636454 /nfs/dbraw/zinc/63/64/54/1312636454.db2.gz CTZSCXPSLVYNOL-SJORKVTESA-N 2 1 344.503 2.991 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492330 1312638027 /nfs/dbraw/zinc/63/80/27/1312638027.db2.gz QNEBRZNWQGJRAX-INIZCTEOSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268036 1314466327 /nfs/dbraw/zinc/46/63/27/1314466327.db2.gz GFHGTCHDYBUALA-MOPGFXCFSA-N 2 1 329.488 2.836 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967411 1314525037 /nfs/dbraw/zinc/52/50/37/1314525037.db2.gz HZGVPRPXCNBQOF-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246022677 1314567676 /nfs/dbraw/zinc/56/76/76/1314567676.db2.gz ARTISPRPISHCIT-OALUTQOASA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246022677 1314567680 /nfs/dbraw/zinc/56/76/80/1314567680.db2.gz ARTISPRPISHCIT-OALUTQOASA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021848 1314567763 /nfs/dbraw/zinc/56/77/63/1314567763.db2.gz IBGNUWOAQKLKEY-UFYCRDLUSA-N 2 1 339.568 2.904 20 30 EFEDMP CCCCCCCCCC[N@@H+](C)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246062671 1314577117 /nfs/dbraw/zinc/57/71/17/1314577117.db2.gz NBSWGRJNJBXINJ-SFHVURJKSA-N 2 1 328.541 2.924 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246068731 1314579166 /nfs/dbraw/zinc/57/91/66/1314579166.db2.gz JXLXDKRVPGXCPK-LJQANCHMSA-N 2 1 326.525 2.964 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030021 1314604197 /nfs/dbraw/zinc/60/41/97/1314604197.db2.gz ZYAZJLJZUVRVFC-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001246305427 1314608849 /nfs/dbraw/zinc/60/88/49/1314608849.db2.gz RKSFZIVXMMSMCB-MJGOQNOKSA-N 2 1 330.472 2.669 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036957 1314616308 /nfs/dbraw/zinc/61/63/08/1314616308.db2.gz SHWGSXYPDUPFBK-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036958 1314616370 /nfs/dbraw/zinc/61/63/70/1314616370.db2.gz SHWGSXYPDUPFBK-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042247 1314622353 /nfs/dbraw/zinc/62/23/53/1314622353.db2.gz OWPXFIHOOPGWLO-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042250 1314622605 /nfs/dbraw/zinc/62/26/05/1314622605.db2.gz OWPXFIHOOPGWLO-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443011 1314629982 /nfs/dbraw/zinc/62/99/82/1314629982.db2.gz SCTXAEZWPMHAQJ-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443011 1314629987 /nfs/dbraw/zinc/62/99/87/1314629987.db2.gz SCTXAEZWPMHAQJ-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443009 1314630140 /nfs/dbraw/zinc/63/01/40/1314630140.db2.gz SCTXAEZWPMHAQJ-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443009 1314630146 /nfs/dbraw/zinc/63/01/46/1314630146.db2.gz SCTXAEZWPMHAQJ-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047040 1314631702 /nfs/dbraw/zinc/63/17/02/1314631702.db2.gz OZDCVVIYWTVHEY-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050170 1314636192 /nfs/dbraw/zinc/63/61/92/1314636192.db2.gz IAKYRYHQWDHDHK-RTBURBONSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)CC1 ZINC001246526565 1314642184 /nfs/dbraw/zinc/64/21/84/1314642184.db2.gz PISFBDWIPVGRAL-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)CC1 ZINC001246526565 1314642185 /nfs/dbraw/zinc/64/21/85/1314642185.db2.gz PISFBDWIPVGRAL-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246564162 1314649696 /nfs/dbraw/zinc/64/96/96/1314649696.db2.gz WCKLPSFVSXSLTC-SOAGJPPSSA-N 2 1 327.472 2.566 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[NH2+]CCC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246597993 1314654489 /nfs/dbraw/zinc/65/44/89/1314654489.db2.gz YMLYFTBAHDEVOI-DYUPNXQLSA-N 2 1 346.515 2.986 20 30 EFEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246626742 1314660249 /nfs/dbraw/zinc/66/02/49/1314660249.db2.gz KOCGXKFJFNRLPU-XLIONFOSSA-N 2 1 335.536 2.927 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H]2CC ZINC001246703155 1314673594 /nfs/dbraw/zinc/67/35/94/1314673594.db2.gz ITWHXTDIFMSZHP-ZYGVUQDESA-N 2 1 331.504 2.691 20 30 EFEDMP CC[C@@H]1CC([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246790826 1314683187 /nfs/dbraw/zinc/68/31/87/1314683187.db2.gz NBOCFERKGDDKNB-QZTJIDSGSA-N 2 1 326.488 2.989 20 30 EFEDMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246795112 1314684304 /nfs/dbraw/zinc/68/43/04/1314684304.db2.gz LUAICOAASNOJBF-ICSRJNTNSA-N 2 1 326.488 2.991 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020250948 1314689707 /nfs/dbraw/zinc/68/97/07/1314689707.db2.gz XSNXMOXONDUZMA-FHWLQOOXSA-N 2 1 345.531 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020250948 1314689711 /nfs/dbraw/zinc/68/97/11/1314689711.db2.gz XSNXMOXONDUZMA-FHWLQOOXSA-N 2 1 345.531 2.537 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093006 1314703371 /nfs/dbraw/zinc/70/33/71/1314703371.db2.gz UPHMYAYHGAMACL-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093006 1314703375 /nfs/dbraw/zinc/70/33/75/1314703375.db2.gz UPHMYAYHGAMACL-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246889097 1314703855 /nfs/dbraw/zinc/70/38/55/1314703855.db2.gz DCJAVESCWHXYGG-OPVJXMOQSA-N 2 1 326.488 2.989 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096446 1314708347 /nfs/dbraw/zinc/70/83/47/1314708347.db2.gz UCLJREHLIOYTNI-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927458 1314709367 /nfs/dbraw/zinc/70/93/67/1314709367.db2.gz ZYQMYVJCZMGXLB-GOSISDBHSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCCCC[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927458 1314709370 /nfs/dbraw/zinc/70/93/70/1314709370.db2.gz ZYQMYVJCZMGXLB-GOSISDBHSA-N 2 1 342.572 2.631 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099210 1314714421 /nfs/dbraw/zinc/71/44/21/1314714421.db2.gz BIIJHRWSEXGLJC-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099212 1314714440 /nfs/dbraw/zinc/71/44/40/1314714440.db2.gz BIIJHRWSEXGLJC-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108841 1314732886 /nfs/dbraw/zinc/73/28/86/1314732886.db2.gz XHNDJWGNWWLGIW-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108841 1314732889 /nfs/dbraw/zinc/73/28/89/1314732889.db2.gz XHNDJWGNWWLGIW-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855822 1314748688 /nfs/dbraw/zinc/74/86/88/1314748688.db2.gz ORDGFKDWNUKXEH-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215722970 1314871983 /nfs/dbraw/zinc/87/19/83/1314871983.db2.gz ORNVRLCXZPRBNA-BRWVUGGUSA-N 2 1 332.492 2.798 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934277 1314892882 /nfs/dbraw/zinc/89/28/82/1314892882.db2.gz LUNXICBJOUMIRD-JFIYKMOQSA-N 2 1 332.492 2.763 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216352264 1314943697 /nfs/dbraw/zinc/94/36/97/1314943697.db2.gz LFWULTFVIBRBGH-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217883402 1315119429 /nfs/dbraw/zinc/11/94/29/1315119429.db2.gz FLGKOVJBIRLGCD-QFIPXVFZSA-N 2 1 347.462 2.995 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217883402 1315119434 /nfs/dbraw/zinc/11/94/34/1315119434.db2.gz FLGKOVJBIRLGCD-QFIPXVFZSA-N 2 1 347.462 2.995 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218207799 1315163949 /nfs/dbraw/zinc/16/39/49/1315163949.db2.gz UJEDOTUCBZMWPP-HXUWFJFHSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218207799 1315163953 /nfs/dbraw/zinc/16/39/53/1315163953.db2.gz UJEDOTUCBZMWPP-HXUWFJFHSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054035778 1315198811 /nfs/dbraw/zinc/19/88/11/1315198811.db2.gz UVTUUNPZTPUTOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035778 1315198814 /nfs/dbraw/zinc/19/88/14/1315198814.db2.gz UVTUUNPZTPUTOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035778 1315198816 /nfs/dbraw/zinc/19/88/16/1315198816.db2.gz UVTUUNPZTPUTOD-VQTJNVASSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132901 1315343657 /nfs/dbraw/zinc/34/36/57/1315343657.db2.gz RHMRKSPQOGJOKZ-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144333 1315362613 /nfs/dbraw/zinc/36/26/13/1315362613.db2.gz TWUGMYZRUAOBGR-KRWDZBQOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145519 1315365671 /nfs/dbraw/zinc/36/56/71/1315365671.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145519 1315365674 /nfs/dbraw/zinc/36/56/74/1315365674.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145519 1315365679 /nfs/dbraw/zinc/36/56/79/1315365679.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147128 1315368391 /nfs/dbraw/zinc/36/83/91/1315368391.db2.gz KTMDZYIBBDIKDO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147128 1315368392 /nfs/dbraw/zinc/36/83/92/1315368392.db2.gz KTMDZYIBBDIKDO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147128 1315368394 /nfs/dbraw/zinc/36/83/94/1315368394.db2.gz KTMDZYIBBDIKDO-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054158371 1315385868 /nfs/dbraw/zinc/38/58/68/1315385868.db2.gz KDNRJPYJEOGZEZ-FQEVSTJZSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054158705 1315386185 /nfs/dbraw/zinc/38/61/85/1315386185.db2.gz ANQZAWRAJVGHMU-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159154 1315386810 /nfs/dbraw/zinc/38/68/10/1315386810.db2.gz TUHUFAVYGPLLJX-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159154 1315386812 /nfs/dbraw/zinc/38/68/12/1315386812.db2.gz TUHUFAVYGPLLJX-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159154 1315386817 /nfs/dbraw/zinc/38/68/17/1315386817.db2.gz TUHUFAVYGPLLJX-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159140 1315387599 /nfs/dbraw/zinc/38/75/99/1315387599.db2.gz SZSNKPNVPVRNSR-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159140 1315387604 /nfs/dbraw/zinc/38/76/04/1315387604.db2.gz SZSNKPNVPVRNSR-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159140 1315387609 /nfs/dbraw/zinc/38/76/09/1315387609.db2.gz SZSNKPNVPVRNSR-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182614 1315422825 /nfs/dbraw/zinc/42/28/25/1315422825.db2.gz NYHSDTDYPGZIKW-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182614 1315422826 /nfs/dbraw/zinc/42/28/26/1315422826.db2.gz NYHSDTDYPGZIKW-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182614 1315422830 /nfs/dbraw/zinc/42/28/30/1315422830.db2.gz NYHSDTDYPGZIKW-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182458 1315423060 /nfs/dbraw/zinc/42/30/60/1315423060.db2.gz KOZIBHFJOFHJST-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182458 1315423062 /nfs/dbraw/zinc/42/30/62/1315423062.db2.gz KOZIBHFJOFHJST-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182458 1315423065 /nfs/dbraw/zinc/42/30/65/1315423065.db2.gz KOZIBHFJOFHJST-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182613 1315423103 /nfs/dbraw/zinc/42/31/03/1315423103.db2.gz NYHSDTDYPGZIKW-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182613 1315423106 /nfs/dbraw/zinc/42/31/06/1315423106.db2.gz NYHSDTDYPGZIKW-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182613 1315423107 /nfs/dbraw/zinc/42/31/07/1315423107.db2.gz NYHSDTDYPGZIKW-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204742 1315452314 /nfs/dbraw/zinc/45/23/14/1315452314.db2.gz CDTDWZOPNUTJSF-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204742 1315452318 /nfs/dbraw/zinc/45/23/18/1315452318.db2.gz CDTDWZOPNUTJSF-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209271 1315460498 /nfs/dbraw/zinc/46/04/98/1315460498.db2.gz MWHIOGYVQHSTBJ-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209883 1315461612 /nfs/dbraw/zinc/46/16/12/1315461612.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209883 1315461615 /nfs/dbraw/zinc/46/16/15/1315461615.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209883 1315461619 /nfs/dbraw/zinc/46/16/19/1315461619.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252552081 1315466659 /nfs/dbraw/zinc/46/66/59/1315466659.db2.gz SPMCMVLYTCRPQB-HXUWFJFHSA-N 2 1 344.499 2.920 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214050 1315468668 /nfs/dbraw/zinc/46/86/68/1315468668.db2.gz PVACMLMBNVSUOS-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597199 1315473138 /nfs/dbraw/zinc/47/31/38/1315473138.db2.gz WDKKRBOUUPQCKV-ZWKOTPCHSA-N 2 1 348.487 2.662 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599026 1315474341 /nfs/dbraw/zinc/47/43/41/1315474341.db2.gz WCPPELXBVVLRMH-WJMWBRGCSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599026 1315474343 /nfs/dbraw/zinc/47/43/43/1315474343.db2.gz WCPPELXBVVLRMH-WJMWBRGCSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599026 1315474348 /nfs/dbraw/zinc/47/43/48/1315474348.db2.gz WCPPELXBVVLRMH-WJMWBRGCSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599026 1315474350 /nfs/dbraw/zinc/47/43/50/1315474350.db2.gz WCPPELXBVVLRMH-WJMWBRGCSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001252599031 1315474832 /nfs/dbraw/zinc/47/48/32/1315474832.db2.gz WGBSAKJNHJBLDK-HXUWFJFHSA-N 2 1 344.499 2.681 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128327 1315508951 /nfs/dbraw/zinc/50/89/51/1315508951.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128327 1315508955 /nfs/dbraw/zinc/50/89/55/1315508955.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128327 1315508960 /nfs/dbraw/zinc/50/89/60/1315508960.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244506 1315515437 /nfs/dbraw/zinc/51/54/37/1315515437.db2.gz FYEDBZRJZRSBAP-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245542 1315516109 /nfs/dbraw/zinc/51/61/09/1315516109.db2.gz VGDJFZSYFOQZTQ-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245539 1315516697 /nfs/dbraw/zinc/51/66/97/1315516697.db2.gz VEVFAZJIECTRMT-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137206 1315524123 /nfs/dbraw/zinc/52/41/23/1315524123.db2.gz QSYCFFZARWPCJR-IAGOWNOFSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139551 1315527143 /nfs/dbraw/zinc/52/71/43/1315527143.db2.gz JAVPKMSANQGYMR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139551 1315527148 /nfs/dbraw/zinc/52/71/48/1315527148.db2.gz JAVPKMSANQGYMR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139551 1315527152 /nfs/dbraw/zinc/52/71/52/1315527152.db2.gz JAVPKMSANQGYMR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139797 1315528864 /nfs/dbraw/zinc/52/88/64/1315528864.db2.gz JWKFYUHPWNKERG-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139797 1315528869 /nfs/dbraw/zinc/52/88/69/1315528869.db2.gz JWKFYUHPWNKERG-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139797 1315528873 /nfs/dbraw/zinc/52/88/73/1315528873.db2.gz JWKFYUHPWNKERG-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140791 1315529685 /nfs/dbraw/zinc/52/96/85/1315529685.db2.gz JPUSSIUBIWGPST-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140791 1315529688 /nfs/dbraw/zinc/52/96/88/1315529688.db2.gz JPUSSIUBIWGPST-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140791 1315529691 /nfs/dbraw/zinc/52/96/91/1315529691.db2.gz JPUSSIUBIWGPST-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140790 1315529830 /nfs/dbraw/zinc/52/98/30/1315529830.db2.gz JPUSSIUBIWGPST-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140790 1315529833 /nfs/dbraw/zinc/52/98/33/1315529833.db2.gz JPUSSIUBIWGPST-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140790 1315529835 /nfs/dbraw/zinc/52/98/35/1315529835.db2.gz JPUSSIUBIWGPST-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142812 1315533837 /nfs/dbraw/zinc/53/38/37/1315533837.db2.gz NODBEUJVXUYAOF-IBGZPJMESA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145235 1315538206 /nfs/dbraw/zinc/53/82/06/1315538206.db2.gz XJAHRHTXOLJFDI-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP N#CC12CCC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC001252948771 1315542030 /nfs/dbraw/zinc/54/20/30/1315542030.db2.gz WNFVAVNZTRAPJJ-XVAXZDLZSA-N 2 1 339.483 2.830 20 30 EFEDMP N#CC12CCC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC001252948771 1315542033 /nfs/dbraw/zinc/54/20/33/1315542033.db2.gz WNFVAVNZTRAPJJ-XVAXZDLZSA-N 2 1 339.483 2.830 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555764 1315551043 /nfs/dbraw/zinc/55/10/43/1315551043.db2.gz XSLWPKPIUZALNT-HSALFYBXSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156713 1315553099 /nfs/dbraw/zinc/55/30/99/1315553099.db2.gz UJCBSPGNYKKHJA-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156714 1315553202 /nfs/dbraw/zinc/55/32/02/1315553202.db2.gz UJCBSPGNYKKHJA-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159543 1315556590 /nfs/dbraw/zinc/55/65/90/1315556590.db2.gz QSYCFFZARWPCJR-SJORKVTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039166903 1315568049 /nfs/dbraw/zinc/56/80/49/1315568049.db2.gz HREKCDDMZAGPDJ-SFHVURJKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039166903 1315568053 /nfs/dbraw/zinc/56/80/53/1315568053.db2.gz HREKCDDMZAGPDJ-SFHVURJKSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253236136 1315583425 /nfs/dbraw/zinc/58/34/25/1315583425.db2.gz AESRWBLRZVCJLP-HSALFYBXSA-N 2 1 337.552 2.584 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974379 1315593641 /nfs/dbraw/zinc/59/36/41/1315593641.db2.gz JOROIULMFNNFLY-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974379 1315593644 /nfs/dbraw/zinc/59/36/44/1315593644.db2.gz JOROIULMFNNFLY-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974379 1315593647 /nfs/dbraw/zinc/59/36/47/1315593647.db2.gz JOROIULMFNNFLY-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974378 1315593683 /nfs/dbraw/zinc/59/36/83/1315593683.db2.gz JOROIULMFNNFLY-AKHDSKFASA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974378 1315593686 /nfs/dbraw/zinc/59/36/86/1315593686.db2.gz JOROIULMFNNFLY-AKHDSKFASA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974378 1315593691 /nfs/dbraw/zinc/59/36/91/1315593691.db2.gz JOROIULMFNNFLY-AKHDSKFASA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039213462 1315629810 /nfs/dbraw/zinc/62/98/10/1315629810.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213462 1315629813 /nfs/dbraw/zinc/62/98/13/1315629813.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213462 1315629816 /nfs/dbraw/zinc/62/98/16/1315629816.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224094 1315643857 /nfs/dbraw/zinc/64/38/57/1315643857.db2.gz CQDTWGBGLASYFZ-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228548 1315651080 /nfs/dbraw/zinc/65/10/80/1315651080.db2.gz JFYFUJLXNHRWSG-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP N#C[C@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038464 1315667912 /nfs/dbraw/zinc/66/79/12/1315667912.db2.gz IKRYVGNAFDXSIS-SFHVURJKSA-N 2 1 327.472 2.639 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241554 1315668917 /nfs/dbraw/zinc/66/89/17/1315668917.db2.gz CLOPBCZJWMWFFD-PMACEKPBSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241383 1315668968 /nfs/dbraw/zinc/66/89/68/1315668968.db2.gz AMIPRQSTZBWRNU-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241383 1315668970 /nfs/dbraw/zinc/66/89/70/1315668970.db2.gz AMIPRQSTZBWRNU-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244849 1315674214 /nfs/dbraw/zinc/67/42/14/1315674214.db2.gz ZDSXMLXEKRTDIF-WOJBJXKFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247379 1315677549 /nfs/dbraw/zinc/67/75/49/1315677549.db2.gz VYTKISGCQJBVQP-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039280903 1315700068 /nfs/dbraw/zinc/70/00/68/1315700068.db2.gz ROMYFDUQJAPUOZ-MVCQKVDPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039296062 1315706293 /nfs/dbraw/zinc/70/62/93/1315706293.db2.gz YDBWHYXAQQOZMY-WJXKREEZSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[NH+](C)CC1)[C@@H]2CC ZINC001254517703 1315714798 /nfs/dbraw/zinc/71/47/98/1315714798.db2.gz JELBEXQNWXEFFE-GGPKGHCWSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1CCC[N@H+](C)CC1)[C@@H]2CC ZINC001254517703 1315714800 /nfs/dbraw/zinc/71/48/00/1315714800.db2.gz JELBEXQNWXEFFE-GGPKGHCWSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1CCC[N@@H+](C)CC1)[C@@H]2CC ZINC001254517703 1315714803 /nfs/dbraw/zinc/71/48/03/1315714803.db2.gz JELBEXQNWXEFFE-GGPKGHCWSA-N 2 1 333.520 2.892 20 30 EFEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001254645995 1315734645 /nfs/dbraw/zinc/73/46/45/1315734645.db2.gz IOAQZBJWQRKXSH-MUGJNUQGSA-N 2 1 330.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001001522691 1315735208 /nfs/dbraw/zinc/73/52/08/1315735208.db2.gz OWBTUGJEMCWXNF-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001522691 1315735210 /nfs/dbraw/zinc/73/52/10/1315735210.db2.gz OWBTUGJEMCWXNF-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001522415 1315735218 /nfs/dbraw/zinc/73/52/18/1315735218.db2.gz MTUYUZMMXMQTEI-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157764 1315746119 /nfs/dbraw/zinc/74/61/19/1315746119.db2.gz LAKQRNCQUOHHPF-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP N#Cc1cccc(O[C@H]2CCC[N@H+]([C@H]3CC4CCN(CC4)C3)C2)c1 ZINC001254863458 1315751560 /nfs/dbraw/zinc/75/15/60/1315751560.db2.gz FDFGZMTZRCRCRS-ICSRJNTNSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(O[C@H]2CCCN([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863458 1315751563 /nfs/dbraw/zinc/75/15/63/1315751563.db2.gz FDFGZMTZRCRCRS-ICSRJNTNSA-N 2 1 325.456 2.886 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384670 1315754660 /nfs/dbraw/zinc/75/46/60/1315754660.db2.gz ICQTYSPJGIFCTK-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384670 1315754662 /nfs/dbraw/zinc/75/46/62/1315754662.db2.gz ICQTYSPJGIFCTK-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384670 1315754664 /nfs/dbraw/zinc/75/46/64/1315754664.db2.gz ICQTYSPJGIFCTK-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384725 1315754709 /nfs/dbraw/zinc/75/47/09/1315754709.db2.gz KWKVDTYURBAUJE-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384725 1315754710 /nfs/dbraw/zinc/75/47/10/1315754710.db2.gz KWKVDTYURBAUJE-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384725 1315754712 /nfs/dbraw/zinc/75/47/12/1315754712.db2.gz KWKVDTYURBAUJE-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388293 1315757607 /nfs/dbraw/zinc/75/76/07/1315757607.db2.gz KVQLVSYWOPFELB-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388293 1315757610 /nfs/dbraw/zinc/75/76/10/1315757610.db2.gz KVQLVSYWOPFELB-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388293 1315757613 /nfs/dbraw/zinc/75/76/13/1315757613.db2.gz KVQLVSYWOPFELB-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397290 1315764204 /nfs/dbraw/zinc/76/42/04/1315764204.db2.gz CKVPQGIOWDRIFF-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397290 1315764206 /nfs/dbraw/zinc/76/42/06/1315764206.db2.gz CKVPQGIOWDRIFF-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397290 1315764208 /nfs/dbraw/zinc/76/42/08/1315764208.db2.gz CKVPQGIOWDRIFF-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415746 1315776380 /nfs/dbraw/zinc/77/63/80/1315776380.db2.gz UHEWDHQLHKYRBM-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NO ZINC001255134432 1315781352 /nfs/dbraw/zinc/78/13/52/1315781352.db2.gz BONIOOJSUVSWLN-HZZCBIDNSA-N 2 1 345.487 2.692 20 30 EFEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NO ZINC001255134432 1315781353 /nfs/dbraw/zinc/78/13/53/1315781353.db2.gz BONIOOJSUVSWLN-HZZCBIDNSA-N 2 1 345.487 2.692 20 30 EFEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144160 1315782315 /nfs/dbraw/zinc/78/23/15/1315782315.db2.gz QUGLPJXVALQTQV-AERCQKQUSA-N 2 1 325.500 2.986 20 30 EFEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144160 1315782318 /nfs/dbraw/zinc/78/23/18/1315782318.db2.gz QUGLPJXVALQTQV-AERCQKQUSA-N 2 1 325.500 2.986 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563345 1315782561 /nfs/dbraw/zinc/78/25/61/1315782561.db2.gz JNXADGTVMRQZSS-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563465 1315782989 /nfs/dbraw/zinc/78/29/89/1315782989.db2.gz KWWDWVFLKGDDNH-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039424059 1315783005 /nfs/dbraw/zinc/78/30/05/1315783005.db2.gz ZHDTWVOAKFYRPH-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424059 1315783010 /nfs/dbraw/zinc/78/30/10/1315783010.db2.gz ZHDTWVOAKFYRPH-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424059 1315783013 /nfs/dbraw/zinc/78/30/13/1315783013.db2.gz ZHDTWVOAKFYRPH-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447549 1315796860 /nfs/dbraw/zinc/79/68/60/1315796860.db2.gz RNUYOFBQYNPLFK-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447549 1315796863 /nfs/dbraw/zinc/79/68/63/1315796863.db2.gz RNUYOFBQYNPLFK-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766521 1315809817 /nfs/dbraw/zinc/80/98/17/1315809817.db2.gz QAMNTKLRGBSDEV-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCN1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255389306 1315815731 /nfs/dbraw/zinc/81/57/31/1315815731.db2.gz FLRRDRBJKJJZPR-PMACEKPBSA-N 2 1 341.499 2.808 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474472 1315817559 /nfs/dbraw/zinc/81/75/59/1315817559.db2.gz KBKCKALTTPJXAS-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474943 1315818152 /nfs/dbraw/zinc/81/81/52/1315818152.db2.gz QUMVJWMHLPAVOQ-AABGKKOBSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474943 1315818154 /nfs/dbraw/zinc/81/81/54/1315818154.db2.gz QUMVJWMHLPAVOQ-AABGKKOBSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474780 1315818396 /nfs/dbraw/zinc/81/83/96/1315818396.db2.gz ZWJKDHLOUFLWGL-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476187 1315819371 /nfs/dbraw/zinc/81/93/71/1315819371.db2.gz GJFJLJOKZWPXDM-SJORKVTESA-N 2 1 345.487 2.986 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255679111 1315857079 /nfs/dbraw/zinc/85/70/79/1315857079.db2.gz RQMODGUNGALAJI-SUTQANCOSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255679111 1315857083 /nfs/dbraw/zinc/85/70/83/1315857083.db2.gz RQMODGUNGALAJI-SUTQANCOSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255679111 1315857084 /nfs/dbraw/zinc/85/70/84/1315857084.db2.gz RQMODGUNGALAJI-SUTQANCOSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255679111 1315857088 /nfs/dbraw/zinc/85/70/88/1315857088.db2.gz RQMODGUNGALAJI-SUTQANCOSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076304 1315901096 /nfs/dbraw/zinc/90/10/96/1315901096.db2.gz XPOUXKFTZZCLSY-FQEVSTJZSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076304 1315901100 /nfs/dbraw/zinc/90/11/00/1315901100.db2.gz XPOUXKFTZZCLSY-FQEVSTJZSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052443829 1315947906 /nfs/dbraw/zinc/94/79/06/1315947906.db2.gz GKVQQLNXSLJTJG-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443829 1315947908 /nfs/dbraw/zinc/94/79/08/1315947908.db2.gz GKVQQLNXSLJTJG-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443829 1315947911 /nfs/dbraw/zinc/94/79/11/1315947911.db2.gz GKVQQLNXSLJTJG-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052443824 1315948168 /nfs/dbraw/zinc/94/81/68/1315948168.db2.gz GKVQQLNXSLJTJG-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443824 1315948170 /nfs/dbraw/zinc/94/81/70/1315948170.db2.gz GKVQQLNXSLJTJG-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443824 1315948171 /nfs/dbraw/zinc/94/81/71/1315948171.db2.gz GKVQQLNXSLJTJG-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522416 1315951042 /nfs/dbraw/zinc/95/10/42/1315951042.db2.gz GWBBCAGNGKJGSB-HKUYNNGSSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522416 1315951045 /nfs/dbraw/zinc/95/10/45/1315951045.db2.gz GWBBCAGNGKJGSB-HKUYNNGSSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CCN1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528571 1315951865 /nfs/dbraw/zinc/95/18/65/1315951865.db2.gz HNVZRTGYKZZSQH-HOJAQTOUSA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCN1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528571 1315951868 /nfs/dbraw/zinc/95/18/68/1315951868.db2.gz HNVZRTGYKZZSQH-HOJAQTOUSA-N 2 1 341.499 2.806 20 30 EFEDMP C[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537897 1315953923 /nfs/dbraw/zinc/95/39/23/1315953923.db2.gz QQQFYQHJEXZBML-PKOBYXMFSA-N 2 1 326.488 2.617 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514034 1315961208 /nfs/dbraw/zinc/96/12/08/1315961208.db2.gz MXZCZQYFKOBJIZ-HNNXBMFYSA-N 2 1 346.862 2.980 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514034 1315961211 /nfs/dbraw/zinc/96/12/11/1315961211.db2.gz MXZCZQYFKOBJIZ-HNNXBMFYSA-N 2 1 346.862 2.980 20 30 EFEDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCC(C#N)CC2)CC3)cn1 ZINC001256968022 1316015635 /nfs/dbraw/zinc/01/56/35/1316015635.db2.gz PEHKRSAPAUUCIG-UHFFFAOYSA-N 2 1 341.503 2.933 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206915 1316143217 /nfs/dbraw/zinc/14/32/17/1316143217.db2.gz ARVYWHHPMPCYOG-FPOVZHCZSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240852 1316160799 /nfs/dbraw/zinc/16/07/99/1316160799.db2.gz KACNOSAEDALYEE-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240852 1316160800 /nfs/dbraw/zinc/16/08/00/1316160800.db2.gz KACNOSAEDALYEE-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240852 1316160801 /nfs/dbraw/zinc/16/08/01/1316160801.db2.gz KACNOSAEDALYEE-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241691 1316161193 /nfs/dbraw/zinc/16/11/93/1316161193.db2.gz RCSXMMOHIMXJJY-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241691 1316161195 /nfs/dbraw/zinc/16/11/95/1316161195.db2.gz RCSXMMOHIMXJJY-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241691 1316161197 /nfs/dbraw/zinc/16/11/97/1316161197.db2.gz RCSXMMOHIMXJJY-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244012 1316163698 /nfs/dbraw/zinc/16/36/98/1316163698.db2.gz FMLTWIIMBZHMHG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244012 1316163700 /nfs/dbraw/zinc/16/37/00/1316163700.db2.gz FMLTWIIMBZHMHG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244012 1316163702 /nfs/dbraw/zinc/16/37/02/1316163702.db2.gz FMLTWIIMBZHMHG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259410 1316169895 /nfs/dbraw/zinc/16/98/95/1316169895.db2.gz VCKZQDBPDSFMIG-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258727807 1316173734 /nfs/dbraw/zinc/17/37/34/1316173734.db2.gz IUNCLXRNEXFMKF-YRXWBPOGSA-N 2 1 331.508 2.806 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258727807 1316173736 /nfs/dbraw/zinc/17/37/36/1316173736.db2.gz IUNCLXRNEXFMKF-YRXWBPOGSA-N 2 1 331.508 2.806 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258727807 1316173738 /nfs/dbraw/zinc/17/37/38/1316173738.db2.gz IUNCLXRNEXFMKF-YRXWBPOGSA-N 2 1 331.508 2.806 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040265087 1316173922 /nfs/dbraw/zinc/17/39/22/1316173922.db2.gz VUPCGOYITXXEML-FQEVSTJZSA-N 2 1 336.439 2.514 20 30 EFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275244 1316178926 /nfs/dbraw/zinc/17/89/26/1316178926.db2.gz JUZCXHJIMAMWOW-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275244 1316178929 /nfs/dbraw/zinc/17/89/29/1316178929.db2.gz JUZCXHJIMAMWOW-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275244 1316178930 /nfs/dbraw/zinc/17/89/30/1316178930.db2.gz JUZCXHJIMAMWOW-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281867 1316181927 /nfs/dbraw/zinc/18/19/27/1316181927.db2.gz SCKWABUELULKKW-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298739 1316191281 /nfs/dbraw/zinc/19/12/81/1316191281.db2.gz ZIJHNDIWHDOCHH-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354912 1316217881 /nfs/dbraw/zinc/21/78/81/1316217881.db2.gz VGSGQBICZZATGA-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354912 1316217883 /nfs/dbraw/zinc/21/78/83/1316217883.db2.gz VGSGQBICZZATGA-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354912 1316217886 /nfs/dbraw/zinc/21/78/86/1316217886.db2.gz VGSGQBICZZATGA-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369563 1316225174 /nfs/dbraw/zinc/22/51/74/1316225174.db2.gz RBJPJJGNVCBSSR-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238765 /nfs/dbraw/zinc/23/87/65/1316238765.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238766 /nfs/dbraw/zinc/23/87/66/1316238766.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238770 /nfs/dbraw/zinc/23/87/70/1316238770.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396572 1316242383 /nfs/dbraw/zinc/24/23/83/1316242383.db2.gz VXPURSPEYKVGLE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396572 1316242386 /nfs/dbraw/zinc/24/23/86/1316242386.db2.gz VXPURSPEYKVGLE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396572 1316242390 /nfs/dbraw/zinc/24/23/90/1316242390.db2.gz VXPURSPEYKVGLE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396572 1316242392 /nfs/dbraw/zinc/24/23/92/1316242392.db2.gz VXPURSPEYKVGLE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432170 1316262247 /nfs/dbraw/zinc/26/22/47/1316262247.db2.gz MKTQCGJFXSFIMR-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040451211 1316274393 /nfs/dbraw/zinc/27/43/93/1316274393.db2.gz CBAOXFKCNYVBIG-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487713 1316289721 /nfs/dbraw/zinc/28/97/21/1316289721.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487713 1316289725 /nfs/dbraw/zinc/28/97/25/1316289725.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487713 1316289726 /nfs/dbraw/zinc/28/97/26/1316289726.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545567 1316316639 /nfs/dbraw/zinc/31/66/39/1316316639.db2.gz QWXYVPYFKYTNPH-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702248 1316354670 /nfs/dbraw/zinc/35/46/70/1316354670.db2.gz SPXQXGMJNNEYCQ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708675 1316356775 /nfs/dbraw/zinc/35/67/75/1316356775.db2.gz XQRNIIXQRNVIPR-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733149 1316362379 /nfs/dbraw/zinc/36/23/79/1316362379.db2.gz PQBKKKVUKDCWQZ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746657 1316365696 /nfs/dbraw/zinc/36/56/96/1316365696.db2.gz GBVIFEOQOCGPPC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746734 1316365942 /nfs/dbraw/zinc/36/59/42/1316365942.db2.gz GUPFNYZLELVBLF-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040870865 1316393641 /nfs/dbraw/zinc/39/36/41/1316393641.db2.gz ZGBGXXAQBPUJLL-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276168 1316498844 /nfs/dbraw/zinc/49/88/44/1316498844.db2.gz HOHBZSABAUNAJF-SJLPKXTDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276168 1316498846 /nfs/dbraw/zinc/49/88/46/1316498846.db2.gz HOHBZSABAUNAJF-SJLPKXTDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276168 1316498848 /nfs/dbraw/zinc/49/88/48/1316498848.db2.gz HOHBZSABAUNAJF-SJLPKXTDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276168 1316498850 /nfs/dbraw/zinc/49/88/50/1316498850.db2.gz HOHBZSABAUNAJF-SJLPKXTDSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286993 1316502861 /nfs/dbraw/zinc/50/28/61/1316502861.db2.gz OKENURWIVFDBSB-RXVVDRJESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041286993 1316502863 /nfs/dbraw/zinc/50/28/63/1316502863.db2.gz OKENURWIVFDBSB-RXVVDRJESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041286993 1316502864 /nfs/dbraw/zinc/50/28/64/1316502864.db2.gz OKENURWIVFDBSB-RXVVDRJESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286987 1316503537 /nfs/dbraw/zinc/50/35/37/1316503537.db2.gz OKENURWIVFDBSB-GHTZIAJQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041286987 1316503539 /nfs/dbraw/zinc/50/35/39/1316503539.db2.gz OKENURWIVFDBSB-GHTZIAJQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041286987 1316503541 /nfs/dbraw/zinc/50/35/41/1316503541.db2.gz OKENURWIVFDBSB-GHTZIAJQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336358 1316518547 /nfs/dbraw/zinc/51/85/47/1316518547.db2.gz OKUPZVPSESFECC-IBGZPJMESA-N 2 1 347.528 2.924 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339571 1316519976 /nfs/dbraw/zinc/51/99/76/1316519976.db2.gz PTEWJHLHTRZCME-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339571 1316519979 /nfs/dbraw/zinc/51/99/79/1316519979.db2.gz PTEWJHLHTRZCME-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339571 1316519981 /nfs/dbraw/zinc/51/99/81/1316519981.db2.gz PTEWJHLHTRZCME-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358031 1316526812 /nfs/dbraw/zinc/52/68/12/1316526812.db2.gz KPCQSGFYBGWEOK-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358031 1316526816 /nfs/dbraw/zinc/52/68/16/1316526816.db2.gz KPCQSGFYBGWEOK-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358031 1316526819 /nfs/dbraw/zinc/52/68/19/1316526819.db2.gz KPCQSGFYBGWEOK-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586783 1316609100 /nfs/dbraw/zinc/60/91/00/1316609100.db2.gz MANWBEPQMYBWFG-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586783 1316609102 /nfs/dbraw/zinc/60/91/02/1316609102.db2.gz MANWBEPQMYBWFG-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586783 1316609104 /nfs/dbraw/zinc/60/91/04/1316609104.db2.gz MANWBEPQMYBWFG-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724327 1316666323 /nfs/dbraw/zinc/66/63/23/1316666323.db2.gz VFCNZCWIRSOZOL-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724327 1316666325 /nfs/dbraw/zinc/66/63/25/1316666325.db2.gz VFCNZCWIRSOZOL-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041744073 1316677630 /nfs/dbraw/zinc/67/76/30/1316677630.db2.gz UPOYWABLZKPEGM-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845391 1316731487 /nfs/dbraw/zinc/73/14/87/1316731487.db2.gz XTMSTLMZISAJAF-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042086020 1316869724 /nfs/dbraw/zinc/86/97/24/1316869724.db2.gz UJIAFFUPCGVDND-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042086020 1316869726 /nfs/dbraw/zinc/86/97/26/1316869726.db2.gz UJIAFFUPCGVDND-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125238 1316896531 /nfs/dbraw/zinc/89/65/31/1316896531.db2.gz QIJQHKDKEBNLRY-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125238 1316896534 /nfs/dbraw/zinc/89/65/34/1316896534.db2.gz QIJQHKDKEBNLRY-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125238 1316896535 /nfs/dbraw/zinc/89/65/35/1316896535.db2.gz QIJQHKDKEBNLRY-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133170 1316900903 /nfs/dbraw/zinc/90/09/03/1316900903.db2.gz IPIYJMCIBOQMPU-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162161 1316921984 /nfs/dbraw/zinc/92/19/84/1316921984.db2.gz GRPLJAXHENWDBY-AZUAARDMSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186184 1316939566 /nfs/dbraw/zinc/93/95/66/1316939566.db2.gz DRYMYKSFZBRYNY-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234172 1316997646 /nfs/dbraw/zinc/99/76/46/1316997646.db2.gz KPNBTDWNWSJPDC-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234172 1316997650 /nfs/dbraw/zinc/99/76/50/1316997650.db2.gz KPNBTDWNWSJPDC-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234172 1316997658 /nfs/dbraw/zinc/99/76/58/1316997658.db2.gz KPNBTDWNWSJPDC-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252740 1317035052 /nfs/dbraw/zinc/03/50/52/1317035052.db2.gz ADLFMLNAJSZMSC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252740 1317035059 /nfs/dbraw/zinc/03/50/59/1317035059.db2.gz ADLFMLNAJSZMSC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270564 1317069591 /nfs/dbraw/zinc/06/95/91/1317069591.db2.gz PZJRTFJRERBFJR-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001266153132 1317105340 /nfs/dbraw/zinc/10/53/40/1317105340.db2.gz YNXUSHIAFLXOHJ-HKUYNNGSSA-N 2 1 333.520 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001266153132 1317105343 /nfs/dbraw/zinc/10/53/43/1317105343.db2.gz YNXUSHIAFLXOHJ-HKUYNNGSSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308379 1317129369 /nfs/dbraw/zinc/12/93/69/1317129369.db2.gz UWIBGHLQKHNCQE-UYAOXDASSA-N 2 1 345.531 2.607 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1C#N ZINC001279172316 1317203444 /nfs/dbraw/zinc/20/34/44/1317203444.db2.gz AKCSWZYQJCJSTE-UHFFFAOYSA-N 2 1 349.482 2.780 20 30 EFEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279233769 1317215333 /nfs/dbraw/zinc/21/53/33/1317215333.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279233769 1317215342 /nfs/dbraw/zinc/21/53/42/1317215342.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279233769 1317215349 /nfs/dbraw/zinc/21/53/49/1317215349.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369235 1317225186 /nfs/dbraw/zinc/22/51/86/1317225186.db2.gz VALNDHDKUDGVAW-YLJYHZDGSA-N 2 1 341.499 2.861 20 30 EFEDMP Cc1ccnc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)c1 ZINC001279407632 1317258740 /nfs/dbraw/zinc/25/87/40/1317258740.db2.gz WGJDWCMHPXZITE-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001281056410 1318001943 /nfs/dbraw/zinc/00/19/43/1318001943.db2.gz WIBUUHNMFKOJEQ-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C#Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001324377263 1329621387 /nfs/dbraw/zinc/62/13/87/1329621387.db2.gz FVEPZDDHXBDBSB-UHFFFAOYSA-N 2 1 337.442 2.849 20 30 EFEDMP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001343664879 1332367600 /nfs/dbraw/zinc/36/76/00/1332367600.db2.gz GACHCGATPYWJFW-ZWKOTPCHSA-N 2 1 332.492 2.632 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001831820 1333571447 /nfs/dbraw/zinc/57/14/47/1333571447.db2.gz AMJFKLIJCYTFDV-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001926023 1333752342 /nfs/dbraw/zinc/75/23/42/1333752342.db2.gz SQTGCQONQCQXIE-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001926023 1333752346 /nfs/dbraw/zinc/75/23/46/1333752346.db2.gz SQTGCQONQCQXIE-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513889 1334184410 /nfs/dbraw/zinc/18/44/10/1334184410.db2.gz SSUDYXUSYGQNLB-GTPINHCMSA-N 2 1 344.503 2.601 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643190 1334258215 /nfs/dbraw/zinc/25/82/15/1334258215.db2.gz ATNJFRYWHWBSTJ-MRXNPFEDSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680926 1334562813 /nfs/dbraw/zinc/56/28/13/1334562813.db2.gz MIMZAYAADMZPTC-UHFFFAOYSA-N 2 1 335.536 2.949 20 30 EFEDMP C=CCCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729383 1334685921 /nfs/dbraw/zinc/68/59/21/1334685921.db2.gz DEQOWKPEPTYUOQ-UHFFFAOYSA-N 2 1 332.492 2.847 20 30 EFEDMP C[NH+]=C(NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)NC1CC1 ZINC000849033946 1335048856 /nfs/dbraw/zinc/04/88/56/1335048856.db2.gz FZPOBINVESTVKT-KRWDZBQOSA-N 2 1 330.476 2.550 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570789 1335316741 /nfs/dbraw/zinc/31/67/41/1335316741.db2.gz OZFKADNGEMVWAX-UHOSZYNNSA-N 2 1 329.488 2.697 20 30 EFEDMP CC/[NH+]=C(\N(C)C)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000849366923 1335599736 /nfs/dbraw/zinc/59/97/36/1335599736.db2.gz SBAYHOUULVGOAT-NHFXJNLRSA-N 2 1 328.504 2.912 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366850599 1338115898 /nfs/dbraw/zinc/11/58/98/1338115898.db2.gz RWNZWOYHNZMLGF-KRWDZBQOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001368668577 1339581691 /nfs/dbraw/zinc/58/16/91/1339581691.db2.gz NZBGFRUIWFECKD-GJZGRUSLSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001368668577 1339581696 /nfs/dbraw/zinc/58/16/96/1339581696.db2.gz NZBGFRUIWFECKD-GJZGRUSLSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368810715 1339748862 /nfs/dbraw/zinc/74/88/62/1339748862.db2.gz TXUXRXQZMDGTEN-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368810715 1339748868 /nfs/dbraw/zinc/74/88/68/1339748868.db2.gz TXUXRXQZMDGTEN-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370309063 1340026139 /nfs/dbraw/zinc/02/61/39/1340026139.db2.gz DHCXGVAAODNLPF-KRWDZBQOSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001373282941 1340975461 /nfs/dbraw/zinc/97/54/61/1340975461.db2.gz VXFWWQFXXPWEQA-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001374374671 1341822816 /nfs/dbraw/zinc/82/28/16/1341822816.db2.gz WLDSARPPSWEOIC-INIZCTEOSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001375451348 1342754922 /nfs/dbraw/zinc/75/49/22/1342754922.db2.gz ABBKILIXWIIDLV-UHFFFAOYSA-N 2 1 327.900 2.632 20 30 EFEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001375593294 1342910735 /nfs/dbraw/zinc/91/07/35/1342910735.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001375593294 1342910740 /nfs/dbraw/zinc/91/07/40/1342910740.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001375593294 1342910743 /nfs/dbraw/zinc/91/07/43/1342910743.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001376685358 1343763415 /nfs/dbraw/zinc/76/34/15/1343763415.db2.gz RSTRVMMINWYBCL-OAHLLOKOSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001377671113 1344298666 /nfs/dbraw/zinc/29/86/66/1344298666.db2.gz BSTAAIJOLGQCGS-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671113 1344298667 /nfs/dbraw/zinc/29/86/67/1344298667.db2.gz BSTAAIJOLGQCGS-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001377671113 1344298669 /nfs/dbraw/zinc/29/86/69/1344298669.db2.gz BSTAAIJOLGQCGS-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001393870932 1357232143 /nfs/dbraw/zinc/23/21/43/1357232143.db2.gz KMMVIRPGEPQMMB-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001393870932 1357232148 /nfs/dbraw/zinc/23/21/48/1357232148.db2.gz KMMVIRPGEPQMMB-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001379674614 1347249685 /nfs/dbraw/zinc/24/96/85/1347249685.db2.gz IOECMCQWKYANDZ-LSDHHAIUSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001381765706 1348514427 /nfs/dbraw/zinc/51/44/27/1348514427.db2.gz ZORYXSBLXHDNEZ-QGZVFWFLSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001381765706 1348514429 /nfs/dbraw/zinc/51/44/29/1348514429.db2.gz ZORYXSBLXHDNEZ-QGZVFWFLSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001391782889 1355526168 /nfs/dbraw/zinc/52/61/68/1355526168.db2.gz XVBFYIBZIOBZTE-UHFFFAOYSA-N 2 1 349.906 2.890 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001391782889 1355526171 /nfs/dbraw/zinc/52/61/71/1355526171.db2.gz XVBFYIBZIOBZTE-UHFFFAOYSA-N 2 1 349.906 2.890 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001391883994 1355620470 /nfs/dbraw/zinc/62/04/70/1355620470.db2.gz CTLOTIZGSBOTAN-GDBMZVCRSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001400950983 1362290933 /nfs/dbraw/zinc/29/09/33/1362290933.db2.gz FQHXXYRJTNSVBH-INIZCTEOSA-N 2 1 341.927 2.880 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001401962924 1363280003 /nfs/dbraw/zinc/28/00/03/1363280003.db2.gz PEFNKLJSRFJZNC-MRXNPFEDSA-N 2 1 339.911 2.774 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001402064556 1363371553 /nfs/dbraw/zinc/37/15/53/1363371553.db2.gz ZMHNBNLPQNORTN-CABCVRRESA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001402615561 1363837895 /nfs/dbraw/zinc/83/78/95/1363837895.db2.gz PKMCNTALTKEDRT-QGZVFWFLSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001402762678 1364009672 /nfs/dbraw/zinc/00/96/72/1364009672.db2.gz BWNTVASHRQAPNY-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762678 1364009676 /nfs/dbraw/zinc/00/96/76/1364009676.db2.gz BWNTVASHRQAPNY-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001402762678 1364009680 /nfs/dbraw/zinc/00/96/80/1364009680.db2.gz BWNTVASHRQAPNY-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001402766448 1364014791 /nfs/dbraw/zinc/01/47/91/1364014791.db2.gz KAZYIZGOUCNWFT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001402766448 1364014793 /nfs/dbraw/zinc/01/47/93/1364014793.db2.gz KAZYIZGOUCNWFT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766448 1364014798 /nfs/dbraw/zinc/01/47/98/1364014798.db2.gz KAZYIZGOUCNWFT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766448 1364014802 /nfs/dbraw/zinc/01/48/02/1364014802.db2.gz KAZYIZGOUCNWFT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001437992394 1388304280 /nfs/dbraw/zinc/30/42/80/1388304280.db2.gz ASJPERMUSWUVGS-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001437992394 1388304287 /nfs/dbraw/zinc/30/42/87/1388304287.db2.gz ASJPERMUSWUVGS-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001437992394 1388304290 /nfs/dbraw/zinc/30/42/90/1388304290.db2.gz ASJPERMUSWUVGS-KRWDZBQOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001419317894 1375091924 /nfs/dbraw/zinc/09/19/24/1375091924.db2.gz VUNKTVVEKDFQTK-UHFFFAOYSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001419332839 1375117089 /nfs/dbraw/zinc/11/70/89/1375117089.db2.gz JSTMNINWBPYNSC-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001419831247 1375952523 /nfs/dbraw/zinc/95/25/23/1375952523.db2.gz NQVDLNPABBUUCI-CVEARBPZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001420498285 1377083912 /nfs/dbraw/zinc/08/39/12/1377083912.db2.gz XCPQHXUSRDIRPQ-INIZCTEOSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001420498285 1377083917 /nfs/dbraw/zinc/08/39/17/1377083917.db2.gz XCPQHXUSRDIRPQ-INIZCTEOSA-N 2 1 327.900 2.586 20 30 EFEDMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344429 1388522425 /nfs/dbraw/zinc/52/24/25/1388522425.db2.gz ZQNHDDINNRAJDE-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001421161432 1378207780 /nfs/dbraw/zinc/20/77/80/1378207780.db2.gz JRXPWWQWSHIIOQ-OAHLLOKOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001421648158 1378939779 /nfs/dbraw/zinc/93/97/79/1378939779.db2.gz IDDHQZJSGCAJHN-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247748 1379854409 /nfs/dbraw/zinc/85/44/09/1379854409.db2.gz WPPJUQKZNBNXHH-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001424562169 1383110099 /nfs/dbraw/zinc/11/00/99/1383110099.db2.gz WONMIVZUCGREIW-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001424562169 1383110101 /nfs/dbraw/zinc/11/01/01/1383110101.db2.gz WONMIVZUCGREIW-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001506867046 1406377378 /nfs/dbraw/zinc/37/73/78/1406377378.db2.gz ZIAUDYJHBCHEGR-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001506867046 1406377389 /nfs/dbraw/zinc/37/73/89/1406377389.db2.gz ZIAUDYJHBCHEGR-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001506867048 1406377413 /nfs/dbraw/zinc/37/74/13/1406377413.db2.gz ZIAUDYJHBCHEGR-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001506867048 1406377425 /nfs/dbraw/zinc/37/74/25/1406377425.db2.gz ZIAUDYJHBCHEGR-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001440354751 1389559845 /nfs/dbraw/zinc/55/98/45/1389559845.db2.gz MYBKIRATDYLIIT-MRXNPFEDSA-N 2 1 335.879 2.670 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479967441 1398052458 /nfs/dbraw/zinc/05/24/58/1398052458.db2.gz RULIEZXNWGBWLN-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865573 1401060721 /nfs/dbraw/zinc/06/07/21/1401060721.db2.gz XQORXWNZUQOBNN-HZPDHXFCSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865573 1401060727 /nfs/dbraw/zinc/06/07/27/1401060727.db2.gz XQORXWNZUQOBNN-HZPDHXFCSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865573 1401060735 /nfs/dbraw/zinc/06/07/35/1401060735.db2.gz XQORXWNZUQOBNN-HZPDHXFCSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001500382364 1403087471 /nfs/dbraw/zinc/08/74/71/1403087471.db2.gz PTLVISZVBPLZLC-QGZVFWFLSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001500384053 1403088139 /nfs/dbraw/zinc/08/81/39/1403088139.db2.gz KZLAAZMECFZXNY-QGZVFWFLSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134328 713469905 /nfs/dbraw/zinc/46/99/05/713469905.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134328 713469909 /nfs/dbraw/zinc/46/99/09/713469909.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134328 713469911 /nfs/dbraw/zinc/46/99/11/713469911.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980211755 717910417 /nfs/dbraw/zinc/91/04/17/717910417.db2.gz HORHQWBWOXCSQR-BBWFWOEESA-N 2 1 342.487 2.554 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205138 713918642 /nfs/dbraw/zinc/91/86/42/713918642.db2.gz KZOHGOYXHXDATQ-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205138 713918643 /nfs/dbraw/zinc/91/86/43/713918643.db2.gz KZOHGOYXHXDATQ-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205138 713918644 /nfs/dbraw/zinc/91/86/44/713918644.db2.gz KZOHGOYXHXDATQ-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620429 714188609 /nfs/dbraw/zinc/18/86/09/714188609.db2.gz UGXITPMUOMGGJH-LPHOPBHVSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569497 717960504 /nfs/dbraw/zinc/96/05/04/717960504.db2.gz CSJPIXPZMQENCA-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669955 714271342 /nfs/dbraw/zinc/27/13/42/714271342.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669955 714271344 /nfs/dbraw/zinc/27/13/44/714271344.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669955 714271346 /nfs/dbraw/zinc/27/13/46/714271346.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681629 714294569 /nfs/dbraw/zinc/29/45/69/714294569.db2.gz HYRPGEUGFUNXIQ-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681629 714294571 /nfs/dbraw/zinc/29/45/71/714294571.db2.gz HYRPGEUGFUNXIQ-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682385 714295495 /nfs/dbraw/zinc/29/54/95/714295495.db2.gz QLRJRVPEAXQECC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682385 714295498 /nfs/dbraw/zinc/29/54/98/714295498.db2.gz QLRJRVPEAXQECC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682391 714295570 /nfs/dbraw/zinc/29/55/70/714295570.db2.gz QLRJRVPEAXQECC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682391 714295573 /nfs/dbraw/zinc/29/55/73/714295573.db2.gz QLRJRVPEAXQECC-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683280 714297466 /nfs/dbraw/zinc/29/74/66/714297466.db2.gz XLRCPPUAUUNRSM-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706766 714345932 /nfs/dbraw/zinc/34/59/32/714345932.db2.gz OVKPDYKCAZENCB-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711378 714349426 /nfs/dbraw/zinc/34/94/26/714349426.db2.gz VYCBWRCWPSGDHE-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739993 714403808 /nfs/dbraw/zinc/40/38/08/714403808.db2.gz PXULICSVHINRQP-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681595 714879345 /nfs/dbraw/zinc/87/93/45/714879345.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681595 714879347 /nfs/dbraw/zinc/87/93/47/714879347.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681595 714879348 /nfs/dbraw/zinc/87/93/48/714879348.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681595 714879350 /nfs/dbraw/zinc/87/93/50/714879350.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681595 714879351 /nfs/dbraw/zinc/87/93/51/714879351.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000971703576 714895088 /nfs/dbraw/zinc/89/50/88/714895088.db2.gz ILMRODVBXWUPCS-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000971703576 714895090 /nfs/dbraw/zinc/89/50/90/714895090.db2.gz ILMRODVBXWUPCS-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC000971703576 714895092 /nfs/dbraw/zinc/89/50/92/714895092.db2.gz ILMRODVBXWUPCS-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC000971703576 714895094 /nfs/dbraw/zinc/89/50/94/714895094.db2.gz ILMRODVBXWUPCS-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617867 718027004 /nfs/dbraw/zinc/02/70/04/718027004.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617867 718027006 /nfs/dbraw/zinc/02/70/06/718027006.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617867 718027010 /nfs/dbraw/zinc/02/70/10/718027010.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000104162893 715254329 /nfs/dbraw/zinc/25/43/29/715254329.db2.gz KCMMGQPWDLXWBR-QGZVFWFLSA-N 2 1 346.519 2.749 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000104181497 715254631 /nfs/dbraw/zinc/25/46/31/715254631.db2.gz SYHOCMSYZVUQNR-AWEZNQCLSA-N 2 1 334.464 2.551 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975105463 715498307 /nfs/dbraw/zinc/49/83/07/715498307.db2.gz UVPXJUPCSOTBQA-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975105463 715498309 /nfs/dbraw/zinc/49/83/09/715498309.db2.gz UVPXJUPCSOTBQA-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009610433 715691527 /nfs/dbraw/zinc/69/15/27/715691527.db2.gz MILDXHVTWWMPMJ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430748 715775035 /nfs/dbraw/zinc/77/50/35/715775035.db2.gz WZXXTVZYWUTUAI-INIZCTEOSA-N 2 1 335.517 2.922 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000303792118 724422770 /nfs/dbraw/zinc/42/27/70/724422770.db2.gz YCXCADMIAGFROJ-AEFFLSMTSA-N 2 1 344.503 2.879 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009141566 715978886 /nfs/dbraw/zinc/97/88/86/715978886.db2.gz BBVUKHMTJGMKMI-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481093 715980412 /nfs/dbraw/zinc/98/04/12/715980412.db2.gz OZUKSFIMYYJNAJ-OAHLLOKOSA-N 2 1 332.835 2.623 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985470145 724439343 /nfs/dbraw/zinc/43/93/43/724439343.db2.gz LZALHTWIELAMLR-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470145 724439344 /nfs/dbraw/zinc/43/93/44/724439344.db2.gz LZALHTWIELAMLR-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470145 724439345 /nfs/dbraw/zinc/43/93/45/724439345.db2.gz LZALHTWIELAMLR-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972476684 715997701 /nfs/dbraw/zinc/99/77/01/715997701.db2.gz DETYGHDLHAFMNW-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972476684 715997703 /nfs/dbraw/zinc/99/77/03/715997703.db2.gz DETYGHDLHAFMNW-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492370 716032996 /nfs/dbraw/zinc/03/29/96/716032996.db2.gz NFQBSNLMWDUSPF-INIZCTEOSA-N 2 1 332.835 2.623 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492370 716033004 /nfs/dbraw/zinc/03/30/04/716033004.db2.gz NFQBSNLMWDUSPF-INIZCTEOSA-N 2 1 332.835 2.623 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504781 716086362 /nfs/dbraw/zinc/08/63/62/716086362.db2.gz IFZWLSBDNPSILT-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504781 716086365 /nfs/dbraw/zinc/08/63/65/716086365.db2.gz IFZWLSBDNPSILT-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507061 716108959 /nfs/dbraw/zinc/10/89/59/716108959.db2.gz HEUPMRMNFJVQIV-LJQANCHMSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518918 716199904 /nfs/dbraw/zinc/19/99/04/716199904.db2.gz BVTYUHHTOFJRJJ-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518918 716199906 /nfs/dbraw/zinc/19/99/06/716199906.db2.gz BVTYUHHTOFJRJJ-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647247 716305788 /nfs/dbraw/zinc/30/57/88/716305788.db2.gz MCMPEDCYOHBZAB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542042 716374233 /nfs/dbraw/zinc/37/42/33/716374233.db2.gz HEIKEYNAKCUHGO-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542042 716374237 /nfs/dbraw/zinc/37/42/37/716374237.db2.gz HEIKEYNAKCUHGO-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542042 716374239 /nfs/dbraw/zinc/37/42/39/716374239.db2.gz HEIKEYNAKCUHGO-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541172 716382808 /nfs/dbraw/zinc/38/28/08/716382808.db2.gz NLGXDLPQARQJIG-SJORKVTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541172 716382811 /nfs/dbraw/zinc/38/28/11/716382811.db2.gz NLGXDLPQARQJIG-SJORKVTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541172 716382814 /nfs/dbraw/zinc/38/28/14/716382814.db2.gz NLGXDLPQARQJIG-SJORKVTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541172 716382817 /nfs/dbraw/zinc/38/28/17/716382817.db2.gz NLGXDLPQARQJIG-SJORKVTESA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694495 716548968 /nfs/dbraw/zinc/54/89/68/716548968.db2.gz AHSNATFUJLIUMC-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694495 716548970 /nfs/dbraw/zinc/54/89/70/716548970.db2.gz AHSNATFUJLIUMC-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694576 716549898 /nfs/dbraw/zinc/54/98/98/716549898.db2.gz CUQTWIJYVLWIDT-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508314 716557812 /nfs/dbraw/zinc/55/78/12/716557812.db2.gz NTLAFKIBVBVEQG-GOSISDBHSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978953517 716599789 /nfs/dbraw/zinc/59/97/89/716599789.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978953517 716599791 /nfs/dbraw/zinc/59/97/91/716599791.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978953517 716599792 /nfs/dbraw/zinc/59/97/92/716599792.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588700 716661698 /nfs/dbraw/zinc/66/16/98/716661698.db2.gz IXOBTNFYWGYOIU-IBGZPJMESA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001023588005 716664942 /nfs/dbraw/zinc/66/49/42/716664942.db2.gz PQMMJFOZYAEVAF-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588005 716664946 /nfs/dbraw/zinc/66/49/46/716664946.db2.gz PQMMJFOZYAEVAF-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588005 716664951 /nfs/dbraw/zinc/66/49/51/716664951.db2.gz PQMMJFOZYAEVAF-ROUUACIJSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979073791 716704984 /nfs/dbraw/zinc/70/49/84/716704984.db2.gz BAOCDFBSTXVZJW-OWZKRDHZSA-N 2 1 341.499 2.622 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979122368 716737744 /nfs/dbraw/zinc/73/77/44/716737744.db2.gz XLOOCJQOFVBRLK-NNZMDNLPSA-N 2 1 345.487 2.605 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601703 716916359 /nfs/dbraw/zinc/91/63/59/716916359.db2.gz GVBPUNJZOMIJMZ-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601703 716916363 /nfs/dbraw/zinc/91/63/63/716916363.db2.gz GVBPUNJZOMIJMZ-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601703 716916366 /nfs/dbraw/zinc/91/63/66/716916366.db2.gz GVBPUNJZOMIJMZ-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601703 716916369 /nfs/dbraw/zinc/91/63/69/716916369.db2.gz GVBPUNJZOMIJMZ-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763546 716975646 /nfs/dbraw/zinc/97/56/46/716975646.db2.gz RWEXPHNGFUMXIZ-KRWDZBQOSA-N 2 1 329.488 2.766 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769760 716990601 /nfs/dbraw/zinc/99/06/01/716990601.db2.gz FLMBHJVRORBISS-KRWDZBQOSA-N 2 1 345.487 2.587 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704075 717130607 /nfs/dbraw/zinc/13/06/07/717130607.db2.gz NBSYGTGAIUXXPG-AZUAARDMSA-N 2 1 329.488 2.572 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)cnc4c3)C[C@H]2C1 ZINC000979714498 717358587 /nfs/dbraw/zinc/35/85/87/717358587.db2.gz PBXDMHFZFKYAKD-BZSNNMDCSA-N 2 1 338.455 2.659 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027942639 717369938 /nfs/dbraw/zinc/36/99/38/717369938.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027942586 717370158 /nfs/dbraw/zinc/37/01/58/717370158.db2.gz DWVLTXLXWNILGA-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1 ZINC000985474986 724447276 /nfs/dbraw/zinc/44/72/76/724447276.db2.gz IWXASLNXNWMZNO-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC000985474986 724447277 /nfs/dbraw/zinc/44/72/77/724447277.db2.gz IWXASLNXNWMZNO-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC2CCCC2)CC1 ZINC000985474986 724447279 /nfs/dbraw/zinc/44/72/79/724447279.db2.gz IWXASLNXNWMZNO-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC2CCCC2)CC1 ZINC000985474986 724447281 /nfs/dbraw/zinc/44/72/81/724447281.db2.gz IWXASLNXNWMZNO-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985480606 724462655 /nfs/dbraw/zinc/46/26/55/724462655.db2.gz JJYBXHQDAGTPJI-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985480606 724462657 /nfs/dbraw/zinc/46/26/57/724462657.db2.gz JJYBXHQDAGTPJI-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985480606 724462660 /nfs/dbraw/zinc/46/26/60/724462660.db2.gz JJYBXHQDAGTPJI-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083329 717728963 /nfs/dbraw/zinc/72/89/63/717728963.db2.gz IBPZLAIHCIDUTO-ULQDDVLXSA-N 2 1 338.455 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980089209 717732593 /nfs/dbraw/zinc/73/25/93/717732593.db2.gz XJHSCEVMTZOXHS-OTWHNJEPSA-N 2 1 345.531 2.798 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181551 717849366 /nfs/dbraw/zinc/84/93/66/717849366.db2.gz DUAKXPLZNPDPIE-ZCNNSNEGSA-N 2 1 341.499 2.765 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980173742 717857284 /nfs/dbraw/zinc/85/72/84/717857284.db2.gz SRDLZJCAFCEVEG-RCCFBDPRSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187666 717875969 /nfs/dbraw/zinc/87/59/69/717875969.db2.gz KGLODSWRJHNNMH-GBESFXJTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722905 717884385 /nfs/dbraw/zinc/88/43/85/717884385.db2.gz NBPHYXCLWYVNGW-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647746 718055272 /nfs/dbraw/zinc/05/52/72/718055272.db2.gz UACFBYRAENNHOM-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647746 718055274 /nfs/dbraw/zinc/05/52/74/718055274.db2.gz UACFBYRAENNHOM-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647972 718056124 /nfs/dbraw/zinc/05/61/24/718056124.db2.gz CHPAPIHBPVOCRA-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712347 718105601 /nfs/dbraw/zinc/10/56/01/718105601.db2.gz VGHPKZLJRXIYOS-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750131 718136412 /nfs/dbraw/zinc/13/64/12/718136412.db2.gz MLMPZSGKWGZAHW-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750132 718136470 /nfs/dbraw/zinc/13/64/70/718136470.db2.gz MLMPZSGKWGZAHW-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819277 718176611 /nfs/dbraw/zinc/17/66/11/718176611.db2.gz NMHBKJTVYIQYOJ-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240034 718459592 /nfs/dbraw/zinc/45/95/92/718459592.db2.gz KMVCAMHOVQNWRR-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240038 718459714 /nfs/dbraw/zinc/45/97/14/718459714.db2.gz KMVCAMHOVQNWRR-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248291 718469114 /nfs/dbraw/zinc/46/91/14/718469114.db2.gz YBMRKDILQDPCEF-MOPGFXCFSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250271 718470534 /nfs/dbraw/zinc/47/05/34/718470534.db2.gz AKRLDELZTYMJSH-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250271 718470535 /nfs/dbraw/zinc/47/05/35/718470535.db2.gz AKRLDELZTYMJSH-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265294 718486369 /nfs/dbraw/zinc/48/63/69/718486369.db2.gz DYBRKCSJISUHCB-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265294 718486370 /nfs/dbraw/zinc/48/63/70/718486370.db2.gz DYBRKCSJISUHCB-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265294 718486371 /nfs/dbraw/zinc/48/63/71/718486371.db2.gz DYBRKCSJISUHCB-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275656 718514273 /nfs/dbraw/zinc/51/42/73/718514273.db2.gz YDEBDUPAKXHRIX-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279639 718517419 /nfs/dbraw/zinc/51/74/19/718517419.db2.gz FOYPBIXFQPYNOU-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287819 718524882 /nfs/dbraw/zinc/52/48/82/718524882.db2.gz GVEBFQFGSPSRMB-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293081 718533523 /nfs/dbraw/zinc/53/35/23/718533523.db2.gz AFCQZNWPTDKDJP-SJORKVTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293081 718533528 /nfs/dbraw/zinc/53/35/28/718533528.db2.gz AFCQZNWPTDKDJP-SJORKVTESA-N 2 1 339.911 2.680 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001025301867 718540401 /nfs/dbraw/zinc/54/04/01/718540401.db2.gz QHECIZMFLACXOX-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001029917003 724522215 /nfs/dbraw/zinc/52/22/15/724522215.db2.gz GADMUDQCGVROON-WOJBJXKFSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029917003 724522218 /nfs/dbraw/zinc/52/22/18/724522218.db2.gz GADMUDQCGVROON-WOJBJXKFSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029917003 724522220 /nfs/dbraw/zinc/52/22/20/724522220.db2.gz GADMUDQCGVROON-WOJBJXKFSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420365 718799444 /nfs/dbraw/zinc/79/94/44/718799444.db2.gz AWHMVICDFJDRAN-DOTOQJQBSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985518415 724535839 /nfs/dbraw/zinc/53/58/39/724535839.db2.gz LOXCXOJJWVVANB-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985518415 724535842 /nfs/dbraw/zinc/53/58/42/724535842.db2.gz LOXCXOJJWVVANB-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985518415 724535844 /nfs/dbraw/zinc/53/58/44/724535844.db2.gz LOXCXOJJWVVANB-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450949 718881173 /nfs/dbraw/zinc/88/11/73/718881173.db2.gz OBTBYRKXKAYQEJ-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460432 718913236 /nfs/dbraw/zinc/91/32/36/718913236.db2.gz IAISRANFXFQURG-ZBFHGGJFSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470666 718957566 /nfs/dbraw/zinc/95/75/66/718957566.db2.gz ZZLMOQHVAADSPI-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000981704840 718962275 /nfs/dbraw/zinc/96/22/75/718962275.db2.gz POUVTIUKEHPYOF-UHFFFAOYSA-N 2 1 338.455 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492940 719021081 /nfs/dbraw/zinc/02/10/81/719021081.db2.gz HFWCNDFKDQDZJR-PKOBYXMFSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981843222 719121475 /nfs/dbraw/zinc/12/14/75/719121475.db2.gz XBFUEZFIOHEHGN-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981843222 719121476 /nfs/dbraw/zinc/12/14/76/719121476.db2.gz XBFUEZFIOHEHGN-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981843222 719121477 /nfs/dbraw/zinc/12/14/77/719121477.db2.gz XBFUEZFIOHEHGN-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137026 719121828 /nfs/dbraw/zinc/12/18/28/719121828.db2.gz DKVLUVRXDUKCBN-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558333 719125082 /nfs/dbraw/zinc/12/50/82/719125082.db2.gz MIWOMPGDENZIJO-FXAWDEMLSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865356 719143554 /nfs/dbraw/zinc/14/35/54/719143554.db2.gz QNEUCCPDFWSBKQ-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865356 719143556 /nfs/dbraw/zinc/14/35/56/719143556.db2.gz QNEUCCPDFWSBKQ-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865356 719143558 /nfs/dbraw/zinc/14/35/58/719143558.db2.gz QNEUCCPDFWSBKQ-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583672 719164818 /nfs/dbraw/zinc/16/48/18/719164818.db2.gz AXXYSWZQKQDBBC-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591295 719183629 /nfs/dbraw/zinc/18/36/29/719183629.db2.gz ZQKJHMLUBXJLHV-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598177 719199569 /nfs/dbraw/zinc/19/95/69/719199569.db2.gz VPCGSNPAUATJGD-JKSUJKDBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598177 719199572 /nfs/dbraw/zinc/19/95/72/719199572.db2.gz VPCGSNPAUATJGD-JKSUJKDBSA-N 2 1 330.476 2.554 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624061 719241912 /nfs/dbraw/zinc/24/19/12/719241912.db2.gz AXUSACMIRKLBNW-FXAWDEMLSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628861 719251996 /nfs/dbraw/zinc/25/19/96/719251996.db2.gz XIGXUJGXPRSLLG-XLIONFOSSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CC[NH+]1CCC(NCc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000892881055 719255128 /nfs/dbraw/zinc/25/51/28/719255128.db2.gz PEQSZWHYHKLXBY-UHFFFAOYSA-N 2 1 342.409 2.906 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630940 719258510 /nfs/dbraw/zinc/25/85/10/719258510.db2.gz XDEVIKGXTILSIX-QZTJIDSGSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631001 719259046 /nfs/dbraw/zinc/25/90/46/719259046.db2.gz YCRLWTGKXMZMBU-IRXDYDNUSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982043031 719498945 /nfs/dbraw/zinc/49/89/45/719498945.db2.gz XTLZZGVAHOMUGF-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982043031 719498946 /nfs/dbraw/zinc/49/89/46/719498946.db2.gz XTLZZGVAHOMUGF-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052763 719507799 /nfs/dbraw/zinc/50/77/99/719507799.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052763 719507804 /nfs/dbraw/zinc/50/78/04/719507804.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052763 719507808 /nfs/dbraw/zinc/50/78/08/719507808.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062673 719516732 /nfs/dbraw/zinc/51/67/32/719516732.db2.gz BIFLOLUXVCPJHZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062673 719516737 /nfs/dbraw/zinc/51/67/37/719516737.db2.gz BIFLOLUXVCPJHZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062673 719516739 /nfs/dbraw/zinc/51/67/39/719516739.db2.gz BIFLOLUXVCPJHZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116260 719573850 /nfs/dbraw/zinc/57/38/50/719573850.db2.gz IMMLDRXQPWVNCC-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163733 719608721 /nfs/dbraw/zinc/60/87/21/719608721.db2.gz QQHYJQUCBXIBFO-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773753 /nfs/dbraw/zinc/77/37/53/719773753.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773759 /nfs/dbraw/zinc/77/37/59/719773759.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773764 /nfs/dbraw/zinc/77/37/64/719773764.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292536 719822342 /nfs/dbraw/zinc/82/23/42/719822342.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292536 719822349 /nfs/dbraw/zinc/82/23/49/719822349.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292536 719822354 /nfs/dbraw/zinc/82/23/54/719822354.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300339 719855601 /nfs/dbraw/zinc/85/56/01/719855601.db2.gz WDZTZXMDWSUMDH-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300339 719855609 /nfs/dbraw/zinc/85/56/09/719855609.db2.gz WDZTZXMDWSUMDH-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300339 719855622 /nfs/dbraw/zinc/85/56/22/719855622.db2.gz WDZTZXMDWSUMDH-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505651 720682655 /nfs/dbraw/zinc/68/26/55/720682655.db2.gz LCLINMWRYRQMQK-KLAILNCOSA-N 2 1 341.927 2.734 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541880 720983815 /nfs/dbraw/zinc/98/38/15/720983815.db2.gz GSGBEOIFUAJIFA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541880 720983817 /nfs/dbraw/zinc/98/38/17/720983817.db2.gz GSGBEOIFUAJIFA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541880 720983819 /nfs/dbraw/zinc/98/38/19/720983819.db2.gz GSGBEOIFUAJIFA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028572804 721035607 /nfs/dbraw/zinc/03/56/07/721035607.db2.gz DOSHNMKTXIKNBQ-HNNXBMFYSA-N 2 1 335.517 2.828 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725874 721132087 /nfs/dbraw/zinc/13/20/87/721132087.db2.gz PDCHWAQQPUWOJS-UKAVVXHISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834001 721309140 /nfs/dbraw/zinc/30/91/40/721309140.db2.gz UQHFJAJKBOWTNP-NRSPTQNISA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834001 721309143 /nfs/dbraw/zinc/30/91/43/721309143.db2.gz UQHFJAJKBOWTNP-NRSPTQNISA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982833532 721309193 /nfs/dbraw/zinc/30/91/93/721309193.db2.gz MUCSTOSJTCJGND-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974757322 721393510 /nfs/dbraw/zinc/39/35/10/721393510.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757322 721393517 /nfs/dbraw/zinc/39/35/17/721393517.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757322 721393519 /nfs/dbraw/zinc/39/35/19/721393519.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974757328 721393567 /nfs/dbraw/zinc/39/35/67/721393567.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757328 721393570 /nfs/dbraw/zinc/39/35/70/721393570.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757328 721393579 /nfs/dbraw/zinc/39/35/79/721393579.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862408 721484250 /nfs/dbraw/zinc/48/42/50/721484250.db2.gz KAPAYQNZGPADCX-ZWKOTPCHSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000338 722616574 /nfs/dbraw/zinc/61/65/74/722616574.db2.gz BOMBQFLSXZKSRD-KRWDZBQOSA-N 2 1 329.488 2.766 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863555 722913084 /nfs/dbraw/zinc/91/30/84/722913084.db2.gz IEXMHQPISIHYBW-FPOVZHCZSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863555 722913086 /nfs/dbraw/zinc/91/30/86/722913086.db2.gz IEXMHQPISIHYBW-FPOVZHCZSA-N 2 1 325.500 2.899 20 30 EFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863555 722913089 /nfs/dbraw/zinc/91/30/89/722913089.db2.gz IEXMHQPISIHYBW-FPOVZHCZSA-N 2 1 325.500 2.899 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802325 723411461 /nfs/dbraw/zinc/41/14/61/723411461.db2.gz XYJYUHMGGUUMNT-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262423344 723898935 /nfs/dbraw/zinc/89/89/35/723898935.db2.gz AXGZQSGROKPZMD-RDJZCZTQSA-N 2 1 344.503 2.925 20 30 EFEDMP C[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[NH+](C)C ZINC000895300030 724007203 /nfs/dbraw/zinc/00/72/03/724007203.db2.gz RHKATQLRIPDFNS-MRXNPFEDSA-N 2 1 325.460 2.894 20 30 EFEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000985439685 724367083 /nfs/dbraw/zinc/36/70/83/724367083.db2.gz WYLRUZSPTROTOP-INIZCTEOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000985439685 724367085 /nfs/dbraw/zinc/36/70/85/724367085.db2.gz WYLRUZSPTROTOP-INIZCTEOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000985801981 724897135 /nfs/dbraw/zinc/89/71/35/724897135.db2.gz LNXNTVZSVMFDMA-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000985801981 724897138 /nfs/dbraw/zinc/89/71/38/724897138.db2.gz LNXNTVZSVMFDMA-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000985801981 724897140 /nfs/dbraw/zinc/89/71/40/724897140.db2.gz LNXNTVZSVMFDMA-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985804466 724899104 /nfs/dbraw/zinc/89/91/04/724899104.db2.gz PVISKXUTHXGLBN-UHFFFAOYSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985805894 724899478 /nfs/dbraw/zinc/89/94/78/724899478.db2.gz ZMCNEIQGUQXSKA-UHFFFAOYSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985804543 724899507 /nfs/dbraw/zinc/89/95/07/724899507.db2.gz RLMFHHYDBBDJMI-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992292913 725683966 /nfs/dbraw/zinc/68/39/66/725683966.db2.gz DTGHQNUNHMOBKP-CMKODMSKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355546 725742089 /nfs/dbraw/zinc/74/20/89/725742089.db2.gz XNWLVKVUEYMSTE-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355546 725742090 /nfs/dbraw/zinc/74/20/90/725742090.db2.gz XNWLVKVUEYMSTE-UYAOXDASSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992508323 725911681 /nfs/dbraw/zinc/91/16/81/725911681.db2.gz LUKKDBDMGFXCRN-QUCCMNQESA-N 2 1 327.472 2.661 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992508304 725911714 /nfs/dbraw/zinc/91/17/14/725911714.db2.gz LUKKDBDMGFXCRN-AZUAARDMSA-N 2 1 327.472 2.661 20 30 EFEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992819992 726267922 /nfs/dbraw/zinc/26/79/22/726267922.db2.gz GPOLIRXTVFAXTO-KZNAEPCWSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209375 726317250 /nfs/dbraw/zinc/31/72/50/726317250.db2.gz IZJOGSNPWZHQTI-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209375 726317252 /nfs/dbraw/zinc/31/72/52/726317252.db2.gz IZJOGSNPWZHQTI-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209375 726317254 /nfs/dbraw/zinc/31/72/54/726317254.db2.gz IZJOGSNPWZHQTI-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040756497 726411267 /nfs/dbraw/zinc/41/12/67/726411267.db2.gz CORBVHHKYWWDNC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993357989 727160406 /nfs/dbraw/zinc/16/04/06/727160406.db2.gz YBTFUVJLRSGJGJ-RDJZCZTQSA-N 2 1 326.444 2.802 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498056 727283578 /nfs/dbraw/zinc/28/35/78/727283578.db2.gz DKUIFVYETCYPLZ-YJBOKZPZSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993617019 727327215 /nfs/dbraw/zinc/32/72/15/727327215.db2.gz RUGRRFHOLFXAAI-YJBOKZPZSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630191 727348589 /nfs/dbraw/zinc/34/85/89/727348589.db2.gz KNSXLVKKULWFSV-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993703156 727500078 /nfs/dbraw/zinc/50/00/78/727500078.db2.gz LCGUMNBMMQHTJF-RDJZCZTQSA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993703156 727500081 /nfs/dbraw/zinc/50/00/81/727500081.db2.gz LCGUMNBMMQHTJF-RDJZCZTQSA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993703157 727500227 /nfs/dbraw/zinc/50/02/27/727500227.db2.gz LCGUMNBMMQHTJF-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993703157 727500229 /nfs/dbraw/zinc/50/02/29/727500229.db2.gz LCGUMNBMMQHTJF-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994269464 727706789 /nfs/dbraw/zinc/70/67/89/727706789.db2.gz PRVSKOXAILMKFL-NVXWUHKLSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994269464 727706791 /nfs/dbraw/zinc/70/67/91/727706791.db2.gz PRVSKOXAILMKFL-NVXWUHKLSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC000917069810 727764048 /nfs/dbraw/zinc/76/40/48/727764048.db2.gz WGXNZWZYEZKLLW-UHFFFAOYSA-N 2 1 343.515 2.926 20 30 EFEDMP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(C)C ZINC000917069810 727764050 /nfs/dbraw/zinc/76/40/50/727764050.db2.gz WGXNZWZYEZKLLW-UHFFFAOYSA-N 2 1 343.515 2.926 20 30 EFEDMP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(C)C ZINC000917069810 727764051 /nfs/dbraw/zinc/76/40/51/727764051.db2.gz WGXNZWZYEZKLLW-UHFFFAOYSA-N 2 1 343.515 2.926 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503545 727772811 /nfs/dbraw/zinc/77/28/11/727772811.db2.gz WDXWTPNCQIHFNE-IEBWSBKVSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503559 727772976 /nfs/dbraw/zinc/77/29/76/727772976.db2.gz WDXWTPNCQIHFNE-PKOBYXMFSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994503342 727772999 /nfs/dbraw/zinc/77/29/99/727772999.db2.gz VHXDRASYZLPVDV-LPHOPBHVSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991468468 727878082 /nfs/dbraw/zinc/87/80/82/727878082.db2.gz CDIUPGBPIMTEJP-QUCCMNQESA-N 2 1 338.455 2.946 20 30 EFEDMP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000156872611 727993526 /nfs/dbraw/zinc/99/35/26/727993526.db2.gz QUOAGELIRVPJLZ-OKILXGFUSA-N 2 1 349.523 2.713 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771289 728310862 /nfs/dbraw/zinc/31/08/62/728310862.db2.gz JGXJDAPFQBOHOS-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771289 728310864 /nfs/dbraw/zinc/31/08/64/728310864.db2.gz JGXJDAPFQBOHOS-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](C)C1 ZINC000942179518 728351426 /nfs/dbraw/zinc/35/14/26/728351426.db2.gz BHFTUECDFHVXLX-RDJZCZTQSA-N 2 1 332.492 2.719 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(OC)ccc2ccccc21 ZINC000170911127 728494481 /nfs/dbraw/zinc/49/44/81/728494481.db2.gz UJWJOHNVONTBGQ-INIZCTEOSA-N 2 1 340.471 2.737 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829346 728529297 /nfs/dbraw/zinc/52/92/97/728529297.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829346 728529299 /nfs/dbraw/zinc/52/92/99/728529299.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829346 728529302 /nfs/dbraw/zinc/52/93/02/728529302.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881639 729765303 /nfs/dbraw/zinc/76/53/03/729765303.db2.gz GBCZCACVEQXHQU-RDJZCZTQSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881639 729765304 /nfs/dbraw/zinc/76/53/04/729765304.db2.gz GBCZCACVEQXHQU-RDJZCZTQSA-N 2 1 341.927 2.828 20 30 EFEDMP C[NH+](C)C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC001646527070 1087834344 /nfs/dbraw/zinc/83/43/44/1087834344.db2.gz BBARBHUHHJNVHI-WBVHZDCISA-N 2 1 337.895 2.876 20 30 EFEDMP C[NH+](C)C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC001646527066 1087835341 /nfs/dbraw/zinc/83/53/41/1087835341.db2.gz BBARBHUHHJNVHI-NVXWUHKLSA-N 2 1 337.895 2.876 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849782 1088119389 /nfs/dbraw/zinc/11/93/89/1088119389.db2.gz QUTMHMMOCFHDNW-ROUUACIJSA-N 2 1 349.906 2.968 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001574852641 1088121789 /nfs/dbraw/zinc/12/17/89/1088121789.db2.gz XHGURLUKVUIUMU-QZTJIDSGSA-N 2 1 349.906 2.825 20 30 EFEDMP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574892947 1088141416 /nfs/dbraw/zinc/14/14/16/1088141416.db2.gz MCNFIJUVCLOQBO-TZIWHRDSSA-N 2 1 341.499 2.856 20 30 EFEDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001578687493 1090420146 /nfs/dbraw/zinc/42/01/46/1090420146.db2.gz RIXLBEGVEQLYSQ-CYBMUJFWSA-N 2 1 348.516 2.614 20 30 EFEDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001578687494 1090420492 /nfs/dbraw/zinc/42/04/92/1090420492.db2.gz RIXLBEGVEQLYSQ-ZDUSSCGKSA-N 2 1 348.516 2.614 20 30 EFEDMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738564 1090676024 /nfs/dbraw/zinc/67/60/24/1090676024.db2.gz QWSIJCFDKAPBGA-YQVWRLOYSA-N 2 1 340.471 2.541 20 30 EFEDMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738561 1090676209 /nfs/dbraw/zinc/67/62/09/1090676209.db2.gz QWSIJCFDKAPBGA-SCTDSRPQSA-N 2 1 340.471 2.541 20 30 EFEDMP N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC001580078276 1090765869 /nfs/dbraw/zinc/76/58/69/1090765869.db2.gz SCAKLOBLYNNOOC-RLLQIKCJSA-N 2 1 343.471 2.688 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454311 1093047490 /nfs/dbraw/zinc/04/74/90/1093047490.db2.gz QJCHRIIOBBUFIW-AZUAARDMSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211560369 1093152759 /nfs/dbraw/zinc/15/27/59/1093152759.db2.gz GCUSIAOEPLQOGX-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457535 1093195039 /nfs/dbraw/zinc/19/50/39/1093195039.db2.gz VKWWYJCBLJNVPO-SFHVURJKSA-N 2 1 347.547 2.855 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458834 1093237446 /nfs/dbraw/zinc/23/74/46/1093237446.db2.gz QJCHRIIOBBUFIW-QUCCMNQESA-N 2 1 347.547 2.691 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683873 1094631816 /nfs/dbraw/zinc/63/18/16/1094631816.db2.gz RSTMIIMVSAVMRR-GDBMZVCRSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530101 1094871021 /nfs/dbraw/zinc/87/10/21/1094871021.db2.gz DIKYYQXWDNMVOD-PXNSSMCTSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@@H]21 ZINC001087295894 1095045407 /nfs/dbraw/zinc/04/54/07/1095045407.db2.gz PYMQDWHEGWTBJW-KZNAEPCWSA-N 2 1 338.455 2.739 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301916 1095140627 /nfs/dbraw/zinc/14/06/27/1095140627.db2.gz KKULCTHXCXZXFM-QRVBRYPASA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087302529 1095147940 /nfs/dbraw/zinc/14/79/40/1095147940.db2.gz VIEFXUQVUPWKLA-SQNIBIBYSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306355 1095192202 /nfs/dbraw/zinc/19/22/02/1095192202.db2.gz HUNZQHDDYJMFLL-NXHRZFHOSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306355 1095192211 /nfs/dbraw/zinc/19/22/11/1095192211.db2.gz HUNZQHDDYJMFLL-NXHRZFHOSA-N 2 1 344.503 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309099 1095234383 /nfs/dbraw/zinc/23/43/83/1095234383.db2.gz ANFQOAOXHCIGKX-RLLQIKCJSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317552 1095317230 /nfs/dbraw/zinc/31/72/30/1095317230.db2.gz KEELMYLAKFUCQD-QRQLOZEOSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317552 1095317242 /nfs/dbraw/zinc/31/72/42/1095317242.db2.gz KEELMYLAKFUCQD-QRQLOZEOSA-N 2 1 344.503 2.763 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC000981914035 1095617769 /nfs/dbraw/zinc/61/77/69/1095617769.db2.gz DIQDWYQROXGLFF-UHFFFAOYSA-N 2 1 341.499 2.515 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988313 1096140531 /nfs/dbraw/zinc/14/05/31/1096140531.db2.gz BLTUHXWSHPICQD-ICSRJNTNSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167709692 1096217858 /nfs/dbraw/zinc/21/78/58/1096217858.db2.gz BSSWFXPUHZIOOW-SFHVURJKSA-N 2 1 329.488 2.742 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167709691 1096219081 /nfs/dbraw/zinc/21/90/81/1096219081.db2.gz BSSWFXPUHZIOOW-GOSISDBHSA-N 2 1 329.488 2.742 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443622 1096632394 /nfs/dbraw/zinc/63/23/94/1096632394.db2.gz WGXWMTJRVDXADH-WOJBJXKFSA-N 2 1 341.499 2.633 20 30 EFEDMP CC(=N[S@](=O)C(C)(C)C)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167914960 1096738976 /nfs/dbraw/zinc/73/89/76/1096738976.db2.gz BXHNIGSPYALFFS-ZVYKEMNCSA-N 2 1 340.518 2.996 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481956637 1096994845 /nfs/dbraw/zinc/99/48/45/1096994845.db2.gz BAWCJTQLHPOMRT-KDOFPFPSSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609051560 1098121605 /nfs/dbraw/zinc/12/16/05/1098121605.db2.gz HCPLZPGMKWHEIC-GOSISDBHSA-N 2 1 340.475 2.948 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793983 1098593221 /nfs/dbraw/zinc/59/32/21/1098593221.db2.gz RYJMLRUGJCOOFU-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793967 1098594326 /nfs/dbraw/zinc/59/43/26/1098594326.db2.gz RMBOAPVDKRGJDL-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494639 1099047329 /nfs/dbraw/zinc/04/73/29/1099047329.db2.gz ZTYJDPGRJJLNRH-QRVBRYPASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010383 1099357819 /nfs/dbraw/zinc/35/78/19/1099357819.db2.gz JFTBDLLFWNMXAB-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087423057 1099712359 /nfs/dbraw/zinc/71/23/59/1099712359.db2.gz INRFGZAVEBODDA-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423057 1099712368 /nfs/dbraw/zinc/71/23/68/1099712368.db2.gz INRFGZAVEBODDA-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423057 1099712376 /nfs/dbraw/zinc/71/23/76/1099712376.db2.gz INRFGZAVEBODDA-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041522 /nfs/dbraw/zinc/04/15/22/1100041522.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041529 /nfs/dbraw/zinc/04/15/29/1100041529.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041534 /nfs/dbraw/zinc/04/15/34/1100041534.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396174 1100561933 /nfs/dbraw/zinc/56/19/33/1100561933.db2.gz IMMWKJKGOQBNHI-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001105395951 1100569418 /nfs/dbraw/zinc/56/94/18/1100569418.db2.gz GCVPRMQHOVYBPB-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395951 1100569424 /nfs/dbraw/zinc/56/94/24/1100569424.db2.gz GCVPRMQHOVYBPB-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395951 1100569431 /nfs/dbraw/zinc/56/94/31/1100569431.db2.gz GCVPRMQHOVYBPB-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)[C@H]1CC ZINC001087630852 1100612988 /nfs/dbraw/zinc/61/29/88/1100612988.db2.gz ZPNDXYRTYHQKKY-VDZJLULYSA-N 2 1 344.503 2.758 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702121 /nfs/dbraw/zinc/70/21/21/1100702121.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702126 /nfs/dbraw/zinc/70/21/26/1100702126.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702130 /nfs/dbraw/zinc/70/21/30/1100702130.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838854 1100849549 /nfs/dbraw/zinc/84/95/49/1100849549.db2.gz YFBBFCRBEJKUJB-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840583 1100856651 /nfs/dbraw/zinc/85/66/51/1100856651.db2.gz DIQVCBHHIFEDKZ-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167095650 1101620703 /nfs/dbraw/zinc/62/07/03/1101620703.db2.gz FUYSYXRRTVJGBL-SXLOBPIMSA-N 2 1 343.515 2.782 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210666 1101882873 /nfs/dbraw/zinc/88/28/73/1101882873.db2.gz VRYFSBGCVSJVIG-UXHICEINSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232728 1102097510 /nfs/dbraw/zinc/09/75/10/1102097510.db2.gz OGSWYQNYWSUAPU-IBGZPJMESA-N 2 1 339.499 2.651 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240335 1102124510 /nfs/dbraw/zinc/12/45/10/1102124510.db2.gz JFSZNZGGTFKAKM-QGZVFWFLSA-N 2 1 335.536 2.949 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001167243265 1102131403 /nfs/dbraw/zinc/13/14/03/1102131403.db2.gz NEWJDPCWNQUAFY-UHFFFAOYSA-N 2 1 343.515 2.613 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264840 1102395947 /nfs/dbraw/zinc/39/59/47/1102395947.db2.gz HOYAZUXTWMQTSC-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294721 1102879727 /nfs/dbraw/zinc/87/97/27/1102879727.db2.gz YOWFBAQGCSWVNA-KZNAEPCWSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088326939 1102931080 /nfs/dbraw/zinc/93/10/80/1102931080.db2.gz BDKGKYJNGMXKPH-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088328964 1102939712 /nfs/dbraw/zinc/93/97/12/1102939712.db2.gz KLQMSLPXZRSHDM-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088328964 1102939721 /nfs/dbraw/zinc/93/97/21/1102939721.db2.gz KLQMSLPXZRSHDM-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329903 1102941634 /nfs/dbraw/zinc/94/16/34/1102941634.db2.gz KAVHGDZSZVDRBG-IRXDYDNUSA-N 2 1 341.927 2.974 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381282 1103335904 /nfs/dbraw/zinc/33/59/04/1103335904.db2.gz AYCOQBPMCBBJEQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001088381261 1103337149 /nfs/dbraw/zinc/33/71/49/1103337149.db2.gz AOJIWBINZJAHSW-HZPDHXFCSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430939 1103587357 /nfs/dbraw/zinc/58/73/57/1103587357.db2.gz BUPGZWRVYZSINV-MOPGFXCFSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379700 1104131755 /nfs/dbraw/zinc/13/17/55/1104131755.db2.gz ODFWQGAPNXNVDK-PMACEKPBSA-N 2 1 334.504 2.687 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439959 1104595025 /nfs/dbraw/zinc/59/50/25/1104595025.db2.gz KCAQEEWYXCWKRQ-IRXDYDNUSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523112 /nfs/dbraw/zinc/52/31/12/1105523112.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 1 339.911 2.725 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517380 1105864356 /nfs/dbraw/zinc/86/43/56/1105864356.db2.gz BCPVXCZFYOPJFC-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518084 1105865203 /nfs/dbraw/zinc/86/52/03/1105865203.db2.gz QKCBDEAVWNHVHY-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105560877 1105939072 /nfs/dbraw/zinc/93/90/72/1105939072.db2.gz FBCQGSBESFYYSE-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575089 1105961551 /nfs/dbraw/zinc/96/15/51/1105961551.db2.gz QPQYZBCYKLUKBT-IBGZPJMESA-N 2 1 347.547 2.883 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241313 1106487466 /nfs/dbraw/zinc/48/74/66/1106487466.db2.gz NEEBJIKMLARJPA-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241313 1106487467 /nfs/dbraw/zinc/48/74/67/1106487467.db2.gz NEEBJIKMLARJPA-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241313 1106487469 /nfs/dbraw/zinc/48/74/69/1106487469.db2.gz NEEBJIKMLARJPA-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241571 1106493880 /nfs/dbraw/zinc/49/38/80/1106493880.db2.gz PJAGYGBTAJYMEW-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241571 1106493881 /nfs/dbraw/zinc/49/38/81/1106493881.db2.gz PJAGYGBTAJYMEW-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737671 1106614013 /nfs/dbraw/zinc/61/40/13/1106614013.db2.gz VPFZUAYTUKDTJA-UHFFFAOYSA-N 2 1 329.488 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862842 1106763255 /nfs/dbraw/zinc/76/32/55/1106763255.db2.gz XINLTCZQPUWGMY-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345748 1107388274 /nfs/dbraw/zinc/38/82/74/1107388274.db2.gz STESGZUSMVFCLS-SFHVURJKSA-N 2 1 329.488 2.742 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106413 1107504313 /nfs/dbraw/zinc/50/43/13/1107504313.db2.gz FLBYNCCDIFMFBL-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099131235 1107912316 /nfs/dbraw/zinc/91/23/16/1107912316.db2.gz YORLDUWTZYIWJJ-SFHVURJKSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131235 1107912321 /nfs/dbraw/zinc/91/23/21/1107912321.db2.gz YORLDUWTZYIWJJ-SFHVURJKSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131235 1107912326 /nfs/dbraw/zinc/91/23/26/1107912326.db2.gz YORLDUWTZYIWJJ-SFHVURJKSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108334005 /nfs/dbraw/zinc/33/40/05/1108334005.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108334019 /nfs/dbraw/zinc/33/40/19/1108334019.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108334033 /nfs/dbraw/zinc/33/40/33/1108334033.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766526 1109231241 /nfs/dbraw/zinc/23/12/41/1109231241.db2.gz VXOCLRVFLYTHON-JRBPQWBISA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766526 1109231245 /nfs/dbraw/zinc/23/12/45/1109231245.db2.gz VXOCLRVFLYTHON-JRBPQWBISA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766526 1109231249 /nfs/dbraw/zinc/23/12/49/1109231249.db2.gz VXOCLRVFLYTHON-JRBPQWBISA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320722 1109766167 /nfs/dbraw/zinc/76/61/67/1109766167.db2.gz GIHNVQKAOOIODN-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320722 1109766168 /nfs/dbraw/zinc/76/61/68/1109766168.db2.gz GIHNVQKAOOIODN-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323789 1109767270 /nfs/dbraw/zinc/76/72/70/1109767270.db2.gz GWCLRBZDDCXTNQ-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076446815 1109841256 /nfs/dbraw/zinc/84/12/56/1109841256.db2.gz BQWRDNJBQGENSV-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627202 1109970189 /nfs/dbraw/zinc/97/01/89/1109970189.db2.gz ZANSIBFVVMWRNO-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249163 1111220546 /nfs/dbraw/zinc/22/05/46/1111220546.db2.gz BCOYTDFNNRRVJF-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357899 1111455115 /nfs/dbraw/zinc/45/51/15/1111455115.db2.gz PDOICCDOMOTKJG-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229211 1111563026 /nfs/dbraw/zinc/56/30/26/1111563026.db2.gz HRIRHULITQGTIT-ROUUACIJSA-N 2 1 335.536 2.737 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479548 1111570778 /nfs/dbraw/zinc/57/07/78/1111570778.db2.gz GMGIOIPPBIHKAH-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666814 1111708900 /nfs/dbraw/zinc/70/89/00/1111708900.db2.gz WNBTXAHBLVFHMC-IPMKNSEASA-N 2 1 337.552 2.983 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775418 1111821344 /nfs/dbraw/zinc/82/13/44/1111821344.db2.gz CZSSZCJQKJQPPJ-NVXWUHKLSA-N 2 1 343.943 2.935 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860373 1111918221 /nfs/dbraw/zinc/91/82/21/1111918221.db2.gz WSCWZJCOXWRMNA-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310449 1112008485 /nfs/dbraw/zinc/00/84/85/1112008485.db2.gz MTOQWYQPCDQTHM-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310449 1112008490 /nfs/dbraw/zinc/00/84/90/1112008490.db2.gz MTOQWYQPCDQTHM-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310449 1112008496 /nfs/dbraw/zinc/00/84/96/1112008496.db2.gz MTOQWYQPCDQTHM-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310516 1112009069 /nfs/dbraw/zinc/00/90/69/1112009069.db2.gz ONYLFWSKNLTCKA-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310516 1112009072 /nfs/dbraw/zinc/00/90/72/1112009072.db2.gz ONYLFWSKNLTCKA-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310516 1112009075 /nfs/dbraw/zinc/00/90/75/1112009075.db2.gz ONYLFWSKNLTCKA-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310516 1112009078 /nfs/dbraw/zinc/00/90/78/1112009078.db2.gz ONYLFWSKNLTCKA-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310483 1112009096 /nfs/dbraw/zinc/00/90/96/1112009096.db2.gz NREXACORGPPEJX-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310483 1112009099 /nfs/dbraw/zinc/00/90/99/1112009099.db2.gz NREXACORGPPEJX-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310483 1112009101 /nfs/dbraw/zinc/00/91/01/1112009101.db2.gz NREXACORGPPEJX-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388429 1112052813 /nfs/dbraw/zinc/05/28/13/1112052813.db2.gz CBBNKBPTCCHAAG-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388429 1112052815 /nfs/dbraw/zinc/05/28/15/1112052815.db2.gz CBBNKBPTCCHAAG-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388429 1112052819 /nfs/dbraw/zinc/05/28/19/1112052819.db2.gz CBBNKBPTCCHAAG-OWCLPIDISA-N 2 1 341.927 2.686 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402428 1112072803 /nfs/dbraw/zinc/07/28/03/1112072803.db2.gz GRPDNMQYGIAAMR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402428 1112072808 /nfs/dbraw/zinc/07/28/08/1112072808.db2.gz GRPDNMQYGIAAMR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402428 1112072812 /nfs/dbraw/zinc/07/28/12/1112072812.db2.gz GRPDNMQYGIAAMR-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406592 1112078530 /nfs/dbraw/zinc/07/85/30/1112078530.db2.gz NXXBBWAYTFXTTP-PKOBYXMFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406592 1112078533 /nfs/dbraw/zinc/07/85/33/1112078533.db2.gz NXXBBWAYTFXTTP-PKOBYXMFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406592 1112078537 /nfs/dbraw/zinc/07/85/37/1112078537.db2.gz NXXBBWAYTFXTTP-PKOBYXMFSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407223 1112079980 /nfs/dbraw/zinc/07/99/80/1112079980.db2.gz XIIYWNFJVWZICO-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407223 1112079983 /nfs/dbraw/zinc/07/99/83/1112079983.db2.gz XIIYWNFJVWZICO-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407223 1112079986 /nfs/dbraw/zinc/07/99/86/1112079986.db2.gz XIIYWNFJVWZICO-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407434 1112080634 /nfs/dbraw/zinc/08/06/34/1112080634.db2.gz ZJDSLHNOMSPQPJ-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407434 1112080638 /nfs/dbraw/zinc/08/06/38/1112080638.db2.gz ZJDSLHNOMSPQPJ-SJORKVTESA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423356 1112107707 /nfs/dbraw/zinc/10/77/07/1112107707.db2.gz ILILBRUQIYKFRA-IRXDYDNUSA-N 2 1 344.503 2.628 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424170 1112110260 /nfs/dbraw/zinc/11/02/60/1112110260.db2.gz SJTYWARXZCFPLO-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424170 1112110263 /nfs/dbraw/zinc/11/02/63/1112110263.db2.gz SJTYWARXZCFPLO-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428508 1112119945 /nfs/dbraw/zinc/11/99/45/1112119945.db2.gz YPPXYSBLCOOIMM-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428508 1112119947 /nfs/dbraw/zinc/11/99/47/1112119947.db2.gz YPPXYSBLCOOIMM-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089428508 1112119950 /nfs/dbraw/zinc/11/99/50/1112119950.db2.gz YPPXYSBLCOOIMM-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439488 1112144708 /nfs/dbraw/zinc/14/47/08/1112144708.db2.gz GHBBECQKPVKQKP-MRXNPFEDSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439488 1112144712 /nfs/dbraw/zinc/14/47/12/1112144712.db2.gz GHBBECQKPVKQKP-MRXNPFEDSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443166 1112152366 /nfs/dbraw/zinc/15/23/66/1112152366.db2.gz YQABBZNOSNWISK-MRXNPFEDSA-N 2 1 326.444 2.741 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089471770 1112196282 /nfs/dbraw/zinc/19/62/82/1112196282.db2.gz ABFPOAYKONROGY-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471770 1112196285 /nfs/dbraw/zinc/19/62/85/1112196285.db2.gz ABFPOAYKONROGY-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471770 1112196289 /nfs/dbraw/zinc/19/62/89/1112196289.db2.gz ABFPOAYKONROGY-RBUKOAKNSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477909 1112203250 /nfs/dbraw/zinc/20/32/50/1112203250.db2.gz PEIFNCYOHJPULL-KRWDZBQOSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477031 1112204280 /nfs/dbraw/zinc/20/42/80/1112204280.db2.gz JVLBWMMBCQGTOF-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477031 1112204284 /nfs/dbraw/zinc/20/42/84/1112204284.db2.gz JVLBWMMBCQGTOF-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477031 1112204286 /nfs/dbraw/zinc/20/42/86/1112204286.db2.gz JVLBWMMBCQGTOF-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491441 1112226138 /nfs/dbraw/zinc/22/61/38/1112226138.db2.gz NRGCGLMSLGNNKN-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491441 1112226143 /nfs/dbraw/zinc/22/61/43/1112226143.db2.gz NRGCGLMSLGNNKN-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506449 1112247771 /nfs/dbraw/zinc/24/77/71/1112247771.db2.gz KLLSSOHRPORGOM-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506449 1112247773 /nfs/dbraw/zinc/24/77/73/1112247773.db2.gz KLLSSOHRPORGOM-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255370 /nfs/dbraw/zinc/25/53/70/1112255370.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255375 /nfs/dbraw/zinc/25/53/75/1112255375.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255376 /nfs/dbraw/zinc/25/53/76/1112255376.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510306 1112260338 /nfs/dbraw/zinc/26/03/38/1112260338.db2.gz QMWLSTUUEHBBNB-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560242 1112308350 /nfs/dbraw/zinc/30/83/50/1112308350.db2.gz AIDHVTIVERBWIR-LJQANCHMSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)CC(C)(C)C1 ZINC001089560560 1112309642 /nfs/dbraw/zinc/30/96/42/1112309642.db2.gz AMMWUXYKWVVRQP-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560560 1112309647 /nfs/dbraw/zinc/30/96/47/1112309647.db2.gz AMMWUXYKWVVRQP-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560560 1112309653 /nfs/dbraw/zinc/30/96/53/1112309653.db2.gz AMMWUXYKWVVRQP-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649103 1112463481 /nfs/dbraw/zinc/46/34/81/1112463481.db2.gz ARZKQDAMGRANIZ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649103 1112463487 /nfs/dbraw/zinc/46/34/87/1112463487.db2.gz ARZKQDAMGRANIZ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663849 1112607280 /nfs/dbraw/zinc/60/72/80/1112607280.db2.gz WNBJFWMHWYUXDH-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663849 1112607282 /nfs/dbraw/zinc/60/72/82/1112607282.db2.gz WNBJFWMHWYUXDH-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663898 1112608245 /nfs/dbraw/zinc/60/82/45/1112608245.db2.gz BAEDKXUFIPJGMB-MRXNPFEDSA-N 2 1 326.444 2.741 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717854 1112934728 /nfs/dbraw/zinc/93/47/28/1112934728.db2.gz GOMUDYXHYSDEDO-LJQANCHMSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722643 1112950402 /nfs/dbraw/zinc/95/04/02/1112950402.db2.gz BVUITVMLTHADQZ-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001089727106 1112965897 /nfs/dbraw/zinc/96/58/97/1112965897.db2.gz YQJZFTLINLSECN-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089727106 1112965898 /nfs/dbraw/zinc/96/58/98/1112965898.db2.gz YQJZFTLINLSECN-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089727106 1112965903 /nfs/dbraw/zinc/96/59/03/1112965903.db2.gz YQJZFTLINLSECN-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001484569024 1113027584 /nfs/dbraw/zinc/02/75/84/1113027584.db2.gz PNIQPBYUZKAUFK-ULQDDVLXSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001089806634 1113060855 /nfs/dbraw/zinc/06/08/55/1113060855.db2.gz RIPNZEHWZDPTAV-VJANTYMQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001484830220 1117748170 /nfs/dbraw/zinc/74/81/70/1117748170.db2.gz NXYXWXZUTYISNF-ICSRJNTNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089821640 1117923959 /nfs/dbraw/zinc/92/39/59/1117923959.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821640 1117923961 /nfs/dbraw/zinc/92/39/61/1117923961.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821640 1117923963 /nfs/dbraw/zinc/92/39/63/1117923963.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845166 1118241515 /nfs/dbraw/zinc/24/15/15/1118241515.db2.gz DCBUILSMDYTHBU-RDGPPVDQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001272700003 1118417091 /nfs/dbraw/zinc/41/70/91/1118417091.db2.gz RRFHPASYVYXOEU-IBGZPJMESA-N 2 1 330.476 2.591 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517690 1118917849 /nfs/dbraw/zinc/91/78/49/1118917849.db2.gz DTYLWGWZVAUKOM-CRAIPNDOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517693 1118918083 /nfs/dbraw/zinc/91/80/83/1118918083.db2.gz DTYLWGWZVAUKOM-YJBOKZPZSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518509 1119532625 /nfs/dbraw/zinc/53/26/25/1119532625.db2.gz SYKQYGHWNDPNLE-RDTXWAMCSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518509 1119532629 /nfs/dbraw/zinc/53/26/29/1119532629.db2.gz SYKQYGHWNDPNLE-RDTXWAMCSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875567 1119766178 /nfs/dbraw/zinc/76/61/78/1119766178.db2.gz DTGHDUHETSWDRC-APWZRJJASA-N 2 1 338.455 2.889 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046702 1119893099 /nfs/dbraw/zinc/89/30/99/1119893099.db2.gz KKMHFUBLFCANAF-QFBILLFUSA-N 2 1 333.520 2.511 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042269 1120066695 /nfs/dbraw/zinc/06/66/95/1120066695.db2.gz DQELVZPHROHZIX-QZTJIDSGSA-N 2 1 325.541 2.981 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031158 1120522445 /nfs/dbraw/zinc/52/24/45/1120522445.db2.gz ZFTZAFGILOEEAM-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945091560 1120567912 /nfs/dbraw/zinc/56/79/12/1120567912.db2.gz OKSKPUXTEYQHTH-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180112 1120649229 /nfs/dbraw/zinc/64/92/29/1120649229.db2.gz KOIGVJIHCICAFQ-PKOBYXMFSA-N 2 1 347.547 2.594 20 30 EFEDMP [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262489770 240357209 /nfs/dbraw/zinc/35/72/09/240357209.db2.gz WMOOZNKXTLVSNE-NSHDSACASA-N 2 1 339.321 2.523 20 30 EFEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671653 239053426 /nfs/dbraw/zinc/05/34/26/239053426.db2.gz FUUIHXIHZNZJSW-LLVKDONJSA-N 2 1 342.365 2.796 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)cc1 ZINC000170906008 239135129 /nfs/dbraw/zinc/13/51/29/239135129.db2.gz ZCABJRCBLIGGHL-QGZVFWFLSA-N 2 1 339.443 2.654 20 30 EFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277297 240093207 /nfs/dbraw/zinc/09/32/07/240093207.db2.gz DAAGJEBNWNBPPJ-NSISKUIASA-N 2 1 327.472 2.815 20 30 EFEDMP COCC[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237110295 240237832 /nfs/dbraw/zinc/23/78/32/240237832.db2.gz IHJAAYIJYGLXMX-UHFFFAOYSA-N 2 1 331.460 2.570 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248058942 240286263 /nfs/dbraw/zinc/28/62/63/240286263.db2.gz XWNXHYRKYBHQGZ-VAMGGRTRSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248058942 240286268 /nfs/dbraw/zinc/28/62/68/240286268.db2.gz XWNXHYRKYBHQGZ-VAMGGRTRSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248058942 240286275 /nfs/dbraw/zinc/28/62/75/240286275.db2.gz XWNXHYRKYBHQGZ-VAMGGRTRSA-N 2 1 344.499 2.571 20 30 EFEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261965261 240336951 /nfs/dbraw/zinc/33/69/51/240336951.db2.gz LGECUUGUSPSTTE-SMDDNHRTSA-N 2 1 340.924 2.592 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262010027 240339961 /nfs/dbraw/zinc/33/99/61/240339961.db2.gz JHOLTSNGZZUADY-XJKSGUPXSA-N 2 1 338.858 2.952 20 30 EFEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059681 240341948 /nfs/dbraw/zinc/34/19/48/240341948.db2.gz YNOKTRNWBULMCL-BBRMVZONSA-N 2 1 340.874 2.951 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000262018511 240342435 /nfs/dbraw/zinc/34/24/35/240342435.db2.gz WWFQOFWDPDGHRU-CABCVRRESA-N 2 1 346.475 2.695 20 30 EFEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262374516 240348521 /nfs/dbraw/zinc/34/85/21/240348521.db2.gz JFXJLKRXSVXRAW-DZJYIKFMSA-N 2 1 340.515 2.798 20 30 EFEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000263119189 240379457 /nfs/dbraw/zinc/37/94/57/240379457.db2.gz CSDZQUILUVACOF-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264063815 240397367 /nfs/dbraw/zinc/39/73/67/240397367.db2.gz AIYTUYXENYMULG-LJQANCHMSA-N 2 1 328.504 2.598 20 30 EFEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264065678 240399751 /nfs/dbraw/zinc/39/97/51/240399751.db2.gz BCPDGAMSXZYHTH-LLVKDONJSA-N 2 1 330.354 2.654 20 30 EFEDMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OCCCC#N ZINC000299432304 241176732 /nfs/dbraw/zinc/17/67/32/241176732.db2.gz AUIJFNVTHAWQJB-UHFFFAOYSA-N 2 1 331.460 2.953 20 30 EFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N(CC)CC)CC2)cs1 ZINC000304762099 241198776 /nfs/dbraw/zinc/19/87/76/241198776.db2.gz VIHQBZWMTMUXOG-UHFFFAOYSA-N 2 1 337.537 2.574 20 30 EFEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000359211769 242146955 /nfs/dbraw/zinc/14/69/55/242146955.db2.gz MJNFPGLRPOGPLO-INIZCTEOSA-N 2 1 340.475 2.601 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220246 /nfs/dbraw/zinc/22/02/46/242220246.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220250 /nfs/dbraw/zinc/22/02/50/242220250.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220256 /nfs/dbraw/zinc/22/02/56/242220256.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 3 1 337.552 2.754 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361763703 242232527 /nfs/dbraw/zinc/23/25/27/242232527.db2.gz JFIFPOSFNORDEE-WMZOPIPTSA-N 2 1 336.524 2.541 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000442727060 250107593 /nfs/dbraw/zinc/10/75/93/250107593.db2.gz VJDUPBVAKLZZRK-DFQSSKMNSA-N 2 1 326.488 2.647 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063505 250156036 /nfs/dbraw/zinc/15/60/36/250156036.db2.gz WSNNATQTDAZIGE-CVEARBPZSA-N 2 1 335.517 2.712 20 30 EFEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268814898 252265235 /nfs/dbraw/zinc/26/52/35/252265235.db2.gz FULYOGXOWHQIOA-WBVHZDCISA-N 2 1 338.879 2.925 20 30 EFEDMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000174315864 533660973 /nfs/dbraw/zinc/66/09/73/533660973.db2.gz NAHQUOVUCYVTNK-IYBDPMFKSA-N 2 1 331.460 2.546 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnccc1C#N ZINC000364901339 149271053 /nfs/dbraw/zinc/27/10/53/149271053.db2.gz UPRIXWIWUJBGAX-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP N#Cc1ccc(C[N@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000122634939 222127501 /nfs/dbraw/zinc/12/75/01/222127501.db2.gz LHYDXWQNURRBDJ-UHFFFAOYSA-N 2 1 326.488 2.552 20 30 EFEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533408167 270035839 /nfs/dbraw/zinc/03/58/39/270035839.db2.gz RKCALKDDUWGSMS-UHFFFAOYSA-N 2 1 328.460 2.549 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533408167 270035841 /nfs/dbraw/zinc/03/58/41/270035841.db2.gz RKCALKDDUWGSMS-UHFFFAOYSA-N 2 1 328.460 2.549 20 30 EFEDMP CN(Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276776397 267048790 /nfs/dbraw/zinc/04/87/90/267048790.db2.gz PTAZBMIPEBQUEM-IBGZPJMESA-N 2 1 337.471 2.778 20 30 EFEDMP CN(Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276776397 267048794 /nfs/dbraw/zinc/04/87/94/267048794.db2.gz PTAZBMIPEBQUEM-IBGZPJMESA-N 2 1 337.471 2.778 20 30 EFEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330610043 267136763 /nfs/dbraw/zinc/13/67/63/267136763.db2.gz SZNGTTSCEBHGBN-CYBMUJFWSA-N 2 1 348.878 2.812 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000264063512 276113004 /nfs/dbraw/zinc/11/30/04/276113004.db2.gz AHIAGPYVCCHLRU-AWEZNQCLSA-N 2 1 330.398 2.965 20 30 EFEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000058171452 276551020 /nfs/dbraw/zinc/55/10/20/276551020.db2.gz MENIUUDJORKZGL-YJBOKZPZSA-N 2 1 332.492 2.925 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264125519 277244359 /nfs/dbraw/zinc/24/43/59/277244359.db2.gz SBTAKTWJZMNNFI-CVEARBPZSA-N 2 1 332.492 2.500 20 30 EFEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158905904 278184259 /nfs/dbraw/zinc/18/42/59/278184259.db2.gz GDPIBQVANRMVDI-MSOLQXFVSA-N 2 1 348.535 2.723 20 30 EFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891531 290221377 /nfs/dbraw/zinc/22/13/77/290221377.db2.gz YPIQHAQZUNKZPZ-MBOZVWFJSA-N 2 1 326.488 2.577 20 30 EFEDMP C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124390492 473240844 /nfs/dbraw/zinc/24/08/44/473240844.db2.gz QEKCKTJXHBVVGI-SFHVURJKSA-N 2 1 343.515 2.623 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453078 472036084 /nfs/dbraw/zinc/03/60/84/472036084.db2.gz KARVMBVDODEKTN-HDICACEKSA-N 2 1 330.472 2.678 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000103337628 472627717 /nfs/dbraw/zinc/62/77/17/472627717.db2.gz VLUALIIPKSPKPS-OAHLLOKOSA-N 2 1 332.473 2.843 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000104154942 472659297 /nfs/dbraw/zinc/65/92/97/472659297.db2.gz ICERZRAKTRKWNJ-INIZCTEOSA-N 2 1 328.416 2.852 20 30 EFEDMP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000131683892 472685475 /nfs/dbraw/zinc/68/54/75/472685475.db2.gz RDKRRLVJJNTANE-QGZVFWFLSA-N 2 1 347.378 2.657 20 30 EFEDMP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000131683892 472685481 /nfs/dbraw/zinc/68/54/81/472685481.db2.gz RDKRRLVJJNTANE-QGZVFWFLSA-N 2 1 347.378 2.657 20 30 EFEDMP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC[C@H]1CCCC[NH+]1C ZINC000072759283 472711395 /nfs/dbraw/zinc/71/13/95/472711395.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000072759283 472711401 /nfs/dbraw/zinc/71/14/01/472711401.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)CC[C@H]1CCCC[N@H+]1C ZINC000072759283 472711410 /nfs/dbraw/zinc/71/14/10/472711410.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 2 1 328.460 2.693 20 30 EFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000105443787 472753013 /nfs/dbraw/zinc/75/30/13/472753013.db2.gz NCLQUWCUZQUNQO-INIZCTEOSA-N 2 1 325.460 2.967 20 30 EFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157118438 472787439 /nfs/dbraw/zinc/78/74/39/472787439.db2.gz QCABQWNTROJFBC-LJQANCHMSA-N 2 1 340.471 2.837 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000106034144 472818712 /nfs/dbraw/zinc/81/87/12/472818712.db2.gz DGOKNSBSDXGXPW-HXUWFJFHSA-N 2 1 341.499 2.808 20 30 EFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157464792 472824032 /nfs/dbraw/zinc/82/40/32/472824032.db2.gz SZBYSTRLNNLNNM-GOSISDBHSA-N 2 1 340.471 2.837 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000106244948 472835402 /nfs/dbraw/zinc/83/54/02/472835402.db2.gz RUDOFCBCXNZDGX-UHFFFAOYSA-N 2 1 325.460 2.612 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000106245558 472835510 /nfs/dbraw/zinc/83/55/10/472835510.db2.gz SEAMGOHOLGFUKP-UHFFFAOYSA-N 2 1 348.487 2.851 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000106245020 472835969 /nfs/dbraw/zinc/83/59/69/472835969.db2.gz HPYDJFCWNWPFOE-UHFFFAOYSA-N 2 1 329.488 2.653 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000106275222 472836651 /nfs/dbraw/zinc/83/66/51/472836651.db2.gz YDHVRRYXFGVMJI-UHFFFAOYSA-N 2 1 345.491 2.532 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000079304534 472846632 /nfs/dbraw/zinc/84/66/32/472846632.db2.gz KLHQEIWCXPLTTA-KSZLIROESA-N 2 1 343.515 2.945 20 30 EFEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762218 472869788 /nfs/dbraw/zinc/86/97/88/472869788.db2.gz POGDUBUEPNXADQ-OAHLLOKOSA-N 2 1 334.895 2.832 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895217 472896040 /nfs/dbraw/zinc/89/60/40/472896040.db2.gz CVGSFDUIIAVMLO-FQEVSTJZSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895217 472896044 /nfs/dbraw/zinc/89/60/44/472896044.db2.gz CVGSFDUIIAVMLO-FQEVSTJZSA-N 2 1 346.515 2.959 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074130181 472948195 /nfs/dbraw/zinc/94/81/95/472948195.db2.gz YYFARBCPUSLQMP-GOSISDBHSA-N 2 1 336.524 2.543 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160694254 473162296 /nfs/dbraw/zinc/16/22/96/473162296.db2.gz FPAVZRHVWARDNJ-IEBWSBKVSA-N 2 1 330.472 2.586 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000113403931 473392473 /nfs/dbraw/zinc/39/24/73/473392473.db2.gz MBQXDPMJQWMBAR-SFHVURJKSA-N 2 1 336.524 2.591 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688348 473488964 /nfs/dbraw/zinc/48/89/64/473488964.db2.gz BQUMPEVIPIQJOR-IAGOWNOFSA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688348 473488970 /nfs/dbraw/zinc/48/89/70/473488970.db2.gz BQUMPEVIPIQJOR-IAGOWNOFSA-N 2 1 346.519 2.572 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748446 473503895 /nfs/dbraw/zinc/50/38/95/473503895.db2.gz IXRDKRLNCLQTLS-SQNIBIBYSA-N 2 1 333.520 2.818 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748446 473503901 /nfs/dbraw/zinc/50/39/01/473503901.db2.gz IXRDKRLNCLQTLS-SQNIBIBYSA-N 2 1 333.520 2.818 20 30 EFEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152415010 473558889 /nfs/dbraw/zinc/55/88/89/473558889.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 1 348.535 2.579 20 30 EFEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000127644520 473635660 /nfs/dbraw/zinc/63/56/60/473635660.db2.gz LLBKRFFNFZQKOB-LJQANCHMSA-N 2 1 340.515 2.700 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281386303 473702158 /nfs/dbraw/zinc/70/21/58/473702158.db2.gz PNEGPWAFDNHANT-LNLFQRSKSA-N 2 1 341.499 2.520 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000274250817 473771346 /nfs/dbraw/zinc/77/13/46/473771346.db2.gz YWLABOGUESIRPT-ZRNYENFQSA-N 2 1 327.472 2.541 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000274250817 473771355 /nfs/dbraw/zinc/77/13/55/473771355.db2.gz YWLABOGUESIRPT-ZRNYENFQSA-N 2 1 327.472 2.541 20 30 EFEDMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180036334 473782919 /nfs/dbraw/zinc/78/29/19/473782919.db2.gz DEFBACCBJMOEFW-UHFFFAOYSA-N 2 1 337.471 2.924 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)[C@@H](c2ccccc2)C1 ZINC000246262356 473808579 /nfs/dbraw/zinc/80/85/79/473808579.db2.gz UJDBIVQFIKRJMY-HXUWFJFHSA-N 2 1 338.455 2.620 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187220533 473839602 /nfs/dbraw/zinc/83/96/02/473839602.db2.gz DMKHOFVDMIZWJC-UHFFFAOYSA-N 2 1 327.472 2.726 20 30 EFEDMP C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286127 473844989 /nfs/dbraw/zinc/84/49/89/473844989.db2.gz HAADMFQAQLVYPZ-KBXCAEBGSA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286127 473844997 /nfs/dbraw/zinc/84/49/97/473844997.db2.gz HAADMFQAQLVYPZ-KBXCAEBGSA-N 2 1 335.455 2.674 20 30 EFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646269 473928098 /nfs/dbraw/zinc/92/80/98/473928098.db2.gz LGUMQFAESXWNHG-KKSFZXQISA-N 2 1 335.451 2.976 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811372 473968003 /nfs/dbraw/zinc/96/80/03/473968003.db2.gz HTZRNYGHVDUDAP-UYAOXDASSA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811372 473968007 /nfs/dbraw/zinc/96/80/07/473968007.db2.gz HTZRNYGHVDUDAP-UYAOXDASSA-N 2 1 341.499 2.687 20 30 EFEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000289353878 474233253 /nfs/dbraw/zinc/23/32/53/474233253.db2.gz XUXPVERRFSKHIZ-UHFFFAOYSA-N 2 1 333.479 2.705 20 30 EFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443123 474325087 /nfs/dbraw/zinc/32/50/87/474325087.db2.gz LGUMQFAESXWNHG-IIBYNOLFSA-N 2 1 335.451 2.976 20 30 EFEDMP COc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1C#N ZINC000176748670 474525764 /nfs/dbraw/zinc/52/57/64/474525764.db2.gz HABWUZWMVIZQDS-UHFFFAOYSA-N 2 1 331.460 2.546 20 30 EFEDMP CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029812 480109726 /nfs/dbraw/zinc/10/97/26/480109726.db2.gz GTZBDYOBXLEURK-HXUWFJFHSA-N 2 1 344.503 2.625 20 30 EFEDMP CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029812 480109732 /nfs/dbraw/zinc/10/97/32/480109732.db2.gz GTZBDYOBXLEURK-HXUWFJFHSA-N 2 1 344.503 2.625 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC000290052969 474542224 /nfs/dbraw/zinc/54/22/24/474542224.db2.gz DOWQPDKIDVEOMC-PKOBYXMFSA-N 2 1 344.503 2.569 20 30 EFEDMP C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532574 474575594 /nfs/dbraw/zinc/57/55/94/474575594.db2.gz YEWZMVKFZMMJGC-FCHUYYIVSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532574 474575598 /nfs/dbraw/zinc/57/55/98/474575598.db2.gz YEWZMVKFZMMJGC-FCHUYYIVSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532574 474575604 /nfs/dbraw/zinc/57/56/04/474575604.db2.gz YEWZMVKFZMMJGC-FCHUYYIVSA-N 2 1 334.463 2.641 20 30 EFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000290532574 474575609 /nfs/dbraw/zinc/57/56/09/474575609.db2.gz YEWZMVKFZMMJGC-FCHUYYIVSA-N 2 1 334.463 2.641 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277389990 474584608 /nfs/dbraw/zinc/58/46/08/474584608.db2.gz YUNPSTFEHDMJNY-QGZVFWFLSA-N 2 1 334.508 2.971 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277389990 474584613 /nfs/dbraw/zinc/58/46/13/474584613.db2.gz YUNPSTFEHDMJNY-QGZVFWFLSA-N 2 1 334.508 2.971 20 30 EFEDMP C=CCc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(OC)c1O ZINC000278070807 474600199 /nfs/dbraw/zinc/60/01/99/474600199.db2.gz ZGXGNTICHPYMLK-MRXNPFEDSA-N 2 1 348.487 2.720 20 30 EFEDMP N#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168984 474607551 /nfs/dbraw/zinc/60/75/51/474607551.db2.gz HPTKNGAEFHKHMU-APWZRJJASA-N 2 1 341.480 2.592 20 30 EFEDMP N#Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168984 474607556 /nfs/dbraw/zinc/60/75/56/474607556.db2.gz HPTKNGAEFHKHMU-APWZRJJASA-N 2 1 341.480 2.592 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133466 480116926 /nfs/dbraw/zinc/11/69/26/480116926.db2.gz KYAVSDXJEQQUPB-KRWDZBQOSA-N 2 1 348.535 2.770 20 30 EFEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678458 474779447 /nfs/dbraw/zinc/77/94/47/474779447.db2.gz LGAPALUFCZIJHU-DOTOQJQBSA-N 2 1 331.460 2.950 20 30 EFEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678458 474779456 /nfs/dbraw/zinc/77/94/56/474779456.db2.gz LGAPALUFCZIJHU-DOTOQJQBSA-N 2 1 331.460 2.950 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000337428302 475006915 /nfs/dbraw/zinc/00/69/15/475006915.db2.gz CUUHAEBSWLQMAH-GUDVDZBRSA-N 2 1 348.535 2.611 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000294544176 475071415 /nfs/dbraw/zinc/07/14/15/475071415.db2.gz ASZPCLAAKQMBKO-OAQYLSRUSA-N 2 1 337.467 2.919 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000294544176 475071423 /nfs/dbraw/zinc/07/14/23/475071423.db2.gz ASZPCLAAKQMBKO-OAQYLSRUSA-N 2 1 337.467 2.919 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000295087306 475103931 /nfs/dbraw/zinc/10/39/31/475103931.db2.gz UNUIYJBDSXMUST-RTBURBONSA-N 2 1 328.456 2.713 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000295087306 475103938 /nfs/dbraw/zinc/10/39/38/475103938.db2.gz UNUIYJBDSXMUST-RTBURBONSA-N 2 1 328.456 2.713 20 30 EFEDMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCCCCC1 ZINC000329905013 475161007 /nfs/dbraw/zinc/16/10/07/475161007.db2.gz JLSCLQSMBJFHAR-INIZCTEOSA-N 2 1 347.507 2.604 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1=O ZINC000281326639 475171005 /nfs/dbraw/zinc/17/10/05/475171005.db2.gz VLXKWRYSUAWSHC-YLJYHZDGSA-N 2 1 341.499 2.938 20 30 EFEDMP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330244211 475217768 /nfs/dbraw/zinc/21/77/68/475217768.db2.gz CZMMQHKJEYEWJF-IKGGRYGDSA-N 2 1 345.491 2.971 20 30 EFEDMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)nc2)CC1 ZINC000330316107 475226345 /nfs/dbraw/zinc/22/63/45/475226345.db2.gz ZEDLYELPLKYZSU-INIZCTEOSA-N 2 1 345.491 2.686 20 30 EFEDMP C=CCOCCC[N@H+](C)C[C@@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 ZINC000348115324 475401798 /nfs/dbraw/zinc/40/17/98/475401798.db2.gz XZSOKQXCFOVATD-HKUYNNGSSA-N 2 1 334.508 2.718 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000342097382 475557065 /nfs/dbraw/zinc/55/70/65/475557065.db2.gz HDABGNBLOJQGLN-UHFFFAOYSA-N 2 1 332.488 2.980 20 30 EFEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348281649 475558649 /nfs/dbraw/zinc/55/86/49/475558649.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 1 340.471 2.549 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000346546336 475646837 /nfs/dbraw/zinc/64/68/37/475646837.db2.gz GXUPXJZKPNQZHD-YLJYHZDGSA-N 2 1 329.488 2.979 20 30 EFEDMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654757 /nfs/dbraw/zinc/65/47/57/475654757.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 1 337.427 2.524 20 30 EFEDMP C[N@H+](CCN1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000353288908 475840152 /nfs/dbraw/zinc/84/01/52/475840152.db2.gz XQHVSMBMSYUSMF-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000353288908 475840156 /nfs/dbraw/zinc/84/01/56/475840156.db2.gz XQHVSMBMSYUSMF-UHFFFAOYSA-N 2 1 348.494 2.808 20 30 EFEDMP C=CCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000338544709 475997825 /nfs/dbraw/zinc/99/78/25/475997825.db2.gz FUQRQBFZLPZFEZ-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353953578 476334596 /nfs/dbraw/zinc/33/45/96/476334596.db2.gz GFGXPTXEIGCFSP-OAQYLSRUSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[N@H+]1CC[C@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218183 476511969 /nfs/dbraw/zinc/51/19/69/476511969.db2.gz ABTKATLMSHMIBB-RDJZCZTQSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218183 476511993 /nfs/dbraw/zinc/51/19/93/476511993.db2.gz ABTKATLMSHMIBB-RDJZCZTQSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218183 476511999 /nfs/dbraw/zinc/51/19/99/476511999.db2.gz ABTKATLMSHMIBB-RDJZCZTQSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422979201 476876719 /nfs/dbraw/zinc/87/67/19/476876719.db2.gz LVZFETJEQXFNKE-SZMVWBNQSA-N 2 1 330.451 2.786 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000430926611 476937601 /nfs/dbraw/zinc/93/76/01/476937601.db2.gz OQDXGKUNEPVXSW-UHFFFAOYSA-N 2 1 333.501 2.835 20 30 EFEDMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150409 477310338 /nfs/dbraw/zinc/31/03/38/477310338.db2.gz YNOSXVSNKNYOPS-BHIYHBOVSA-N 2 1 342.487 2.519 20 30 EFEDMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150411 477310541 /nfs/dbraw/zinc/31/05/41/477310541.db2.gz YNOSXVSNKNYOPS-NZSAHSFTSA-N 2 1 342.487 2.519 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371471195 477339197 /nfs/dbraw/zinc/33/91/97/477339197.db2.gz RURSJVOIRHRYDZ-DJABAAGCSA-N 2 1 343.471 2.661 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371471195 477339207 /nfs/dbraw/zinc/33/92/07/477339207.db2.gz RURSJVOIRHRYDZ-DJABAAGCSA-N 2 1 343.471 2.661 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371469362 477339866 /nfs/dbraw/zinc/33/98/66/477339866.db2.gz FDWUGLYQZMWNKF-YSIASYRMSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371469362 477339868 /nfs/dbraw/zinc/33/98/68/477339868.db2.gz FDWUGLYQZMWNKF-YSIASYRMSA-N 2 1 330.472 2.935 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C#N)ccn1 ZINC000367426397 477503692 /nfs/dbraw/zinc/50/36/92/477503692.db2.gz OCCLEMSRODMUFX-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102681 477670688 /nfs/dbraw/zinc/67/06/88/477670688.db2.gz YYMIQGSWQFVMOB-KUQKPQIMSA-N 2 1 328.460 2.573 20 30 EFEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437102681 477670700 /nfs/dbraw/zinc/67/07/00/477670700.db2.gz YYMIQGSWQFVMOB-KUQKPQIMSA-N 2 1 328.460 2.573 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000437095464 477670976 /nfs/dbraw/zinc/67/09/76/477670976.db2.gz KNIAVWPSPJRNAL-YKWDICOMSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C ZINC000437095464 477670983 /nfs/dbraw/zinc/67/09/83/477670983.db2.gz KNIAVWPSPJRNAL-YKWDICOMSA-N 2 1 328.460 2.716 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420328887 477698529 /nfs/dbraw/zinc/69/85/29/477698529.db2.gz NHIRRSAGIUTXMK-ZWKOTPCHSA-N 2 1 329.488 2.795 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000372300970 477745553 /nfs/dbraw/zinc/74/55/53/477745553.db2.gz GDRQFKHFVAUQCG-IBGZPJMESA-N 2 1 342.487 2.513 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000372300970 477745557 /nfs/dbraw/zinc/74/55/57/477745557.db2.gz GDRQFKHFVAUQCG-IBGZPJMESA-N 2 1 342.487 2.513 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368232240 477792556 /nfs/dbraw/zinc/79/25/56/477792556.db2.gz ABPDQSOIRFRYHZ-OJAHFUOMSA-N 2 1 341.499 2.567 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000482131385 478026127 /nfs/dbraw/zinc/02/61/27/478026127.db2.gz GOCRPSJYXSQDCO-QZTJIDSGSA-N 2 1 348.535 2.819 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000482131387 478026850 /nfs/dbraw/zinc/02/68/50/478026850.db2.gz GOCRPSJYXSQDCO-ZWKOTPCHSA-N 2 1 348.535 2.819 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000421348981 478044852 /nfs/dbraw/zinc/04/48/52/478044852.db2.gz WUUKXVJWEHBOCZ-LJQANCHMSA-N 2 1 339.414 2.554 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000421348980 478045693 /nfs/dbraw/zinc/04/56/93/478045693.db2.gz WUUKXVJWEHBOCZ-IBGZPJMESA-N 2 1 339.414 2.554 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000536590098 478261100 /nfs/dbraw/zinc/26/11/00/478261100.db2.gz XYTANVOLTDWHMM-UHFFFAOYSA-N 2 1 343.471 2.899 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC000570166869 478299342 /nfs/dbraw/zinc/29/93/42/478299342.db2.gz OLPOHWWXIVVQMC-PKOBYXMFSA-N 2 1 344.503 2.569 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000490739546 478379048 /nfs/dbraw/zinc/37/90/48/478379048.db2.gz IYSVSZDBCWMCDW-UHFFFAOYSA-N 2 1 333.863 2.685 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491165591 478459512 /nfs/dbraw/zinc/45/95/12/478459512.db2.gz LXVRNHXGTMLXJV-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491165591 478459520 /nfs/dbraw/zinc/45/95/20/478459520.db2.gz LXVRNHXGTMLXJV-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497126469 478729341 /nfs/dbraw/zinc/72/93/41/478729341.db2.gz HSMLYVCGZYLWMU-OXQOHEQNSA-N 2 1 349.519 2.874 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110702 479254710 /nfs/dbraw/zinc/25/47/10/479254710.db2.gz PFVDTQGSWHBPMR-IEBWSBKVSA-N 2 1 336.524 2.627 20 30 EFEDMP N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287838 479338692 /nfs/dbraw/zinc/33/86/92/479338692.db2.gz WJVUCVXDTWNWJS-BGYRXZFFSA-N 2 1 333.435 2.788 20 30 EFEDMP N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287838 479338697 /nfs/dbraw/zinc/33/86/97/479338697.db2.gz WJVUCVXDTWNWJS-BGYRXZFFSA-N 2 1 333.435 2.788 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390958 479366092 /nfs/dbraw/zinc/36/60/92/479366092.db2.gz XMYHBPYEVTVVSM-OAQYLSRUSA-N 2 1 340.515 2.943 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593701999 479428501 /nfs/dbraw/zinc/42/85/01/479428501.db2.gz JRKFSYKVZBFNSZ-LAUBAEHRSA-N 2 1 340.515 2.843 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593702002 479429085 /nfs/dbraw/zinc/42/90/85/479429085.db2.gz JRKFSYKVZBFNSZ-UWJYYQICSA-N 2 1 340.515 2.843 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000614403503 480297016 /nfs/dbraw/zinc/29/70/16/480297016.db2.gz CTVPOAVADHPHQP-UHFFFAOYSA-N 2 1 340.515 2.857 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351494 482185374 /nfs/dbraw/zinc/18/53/74/482185374.db2.gz ALQLAVVOODDVCY-GJYPPUQNSA-N 2 1 347.528 2.712 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351494 482185383 /nfs/dbraw/zinc/18/53/83/482185383.db2.gz ALQLAVVOODDVCY-GJYPPUQNSA-N 2 1 347.528 2.712 20 30 EFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782690 534413468 /nfs/dbraw/zinc/41/34/68/534413468.db2.gz ORAZMYFPEBHMFY-ROUUACIJSA-N 2 1 330.472 2.951 20 30 EFEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841827 522679402 /nfs/dbraw/zinc/67/94/02/522679402.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841827 522679409 /nfs/dbraw/zinc/67/94/09/522679409.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841827 522679417 /nfs/dbraw/zinc/67/94/17/522679417.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 2 1 348.878 2.814 20 30 EFEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000181706084 524736174 /nfs/dbraw/zinc/73/61/74/524736174.db2.gz FJSXMGVTVVEPLV-INIZCTEOSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1 ZINC000181706084 524736182 /nfs/dbraw/zinc/73/61/82/524736182.db2.gz FJSXMGVTVVEPLV-INIZCTEOSA-N 2 1 326.488 2.595 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157203161 526768814 /nfs/dbraw/zinc/76/88/14/526768814.db2.gz CFIVAXPWTRFTSA-MRXNPFEDSA-N 2 1 346.500 2.899 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157203161 526768818 /nfs/dbraw/zinc/76/88/18/526768818.db2.gz CFIVAXPWTRFTSA-MRXNPFEDSA-N 2 1 346.500 2.899 20 30 EFEDMP CC1CC[NH+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181502640 528248053 /nfs/dbraw/zinc/24/80/53/528248053.db2.gz IGRHPYFNNSZJMD-UHFFFAOYSA-N 2 1 340.515 2.844 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017259 528663600 /nfs/dbraw/zinc/66/36/00/528663600.db2.gz SNTXSLBAIVYNHA-YLJYHZDGSA-N 2 1 345.487 2.664 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@H](C)C1 ZINC000187010773 528667514 /nfs/dbraw/zinc/66/75/14/528667514.db2.gz QQIWTSMDVRGRAY-MJGOQNOKSA-N 2 1 345.487 2.664 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000181155535 528669441 /nfs/dbraw/zinc/66/94/41/528669441.db2.gz BEUPYTQVAVMCBO-XLIONFOSSA-N 2 1 345.487 2.664 20 30 EFEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071644 535525538 /nfs/dbraw/zinc/52/55/38/535525538.db2.gz KIEIFIUJBARHAT-FQEVSTJZSA-N 2 1 340.515 2.844 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000763232240 576368550 /nfs/dbraw/zinc/36/85/50/576368550.db2.gz SHPWIVMLNXIRCX-OAQYLSRUSA-N 2 1 335.451 2.630 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000763232240 576368551 /nfs/dbraw/zinc/36/85/51/576368551.db2.gz SHPWIVMLNXIRCX-OAQYLSRUSA-N 2 1 335.451 2.630 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000763232337 576368586 /nfs/dbraw/zinc/36/85/86/576368586.db2.gz UJKPERSOYBFGAR-JOCHJYFZSA-N 2 1 349.478 2.888 20 30 EFEDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500526 577278970 /nfs/dbraw/zinc/27/89/70/577278970.db2.gz PPQWZKJGCSAPIB-AZUAARDMSA-N 2 1 335.455 2.795 20 30 EFEDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500526 577278972 /nfs/dbraw/zinc/27/89/72/577278972.db2.gz PPQWZKJGCSAPIB-AZUAARDMSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500526 577278974 /nfs/dbraw/zinc/27/89/74/577278974.db2.gz PPQWZKJGCSAPIB-AZUAARDMSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500526 577278976 /nfs/dbraw/zinc/27/89/76/577278976.db2.gz PPQWZKJGCSAPIB-AZUAARDMSA-N 2 1 335.455 2.795 20 30 EFEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000769514949 577369110 /nfs/dbraw/zinc/36/91/10/577369110.db2.gz MLXBCFLQLBVXEG-LJQANCHMSA-N 2 1 330.472 2.631 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515491 577369144 /nfs/dbraw/zinc/36/91/44/577369144.db2.gz QYMKHGPUNJKCCZ-YLJYHZDGSA-N 2 1 345.487 2.910 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000772987965 581385872 /nfs/dbraw/zinc/38/58/72/581385872.db2.gz NHFXAESTABGGPV-UYAOXDASSA-N 2 1 344.499 2.925 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000772987965 581385874 /nfs/dbraw/zinc/38/58/74/581385874.db2.gz NHFXAESTABGGPV-UYAOXDASSA-N 2 1 344.499 2.925 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000772987962 581385959 /nfs/dbraw/zinc/38/59/59/581385959.db2.gz NHFXAESTABGGPV-AZUAARDMSA-N 2 1 344.499 2.925 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000772987962 581385961 /nfs/dbraw/zinc/38/59/61/581385961.db2.gz NHFXAESTABGGPV-AZUAARDMSA-N 2 1 344.499 2.925 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754375364 1248955323 /nfs/dbraw/zinc/95/53/23/1248955323.db2.gz AAFQVTNVXONGLD-INIZCTEOSA-N 2 1 327.900 2.584 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001752707224 1250833618 /nfs/dbraw/zinc/83/36/18/1250833618.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707224 1250833640 /nfs/dbraw/zinc/83/36/40/1250833640.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001752707224 1250833648 /nfs/dbraw/zinc/83/36/48/1250833648.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001752829762 1251593979 /nfs/dbraw/zinc/59/39/79/1251593979.db2.gz VCAWYYBTQJLBAV-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686149 1252174464 /nfs/dbraw/zinc/17/44/64/1252174464.db2.gz NALAGDSZAVXWDS-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686149 1252174474 /nfs/dbraw/zinc/17/44/74/1252174474.db2.gz NALAGDSZAVXWDS-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686149 1252174483 /nfs/dbraw/zinc/17/44/83/1252174483.db2.gz NALAGDSZAVXWDS-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(C)C)CC1 ZINC001089733912 1252327650 /nfs/dbraw/zinc/32/76/50/1252327650.db2.gz CHECQQMFOPGBEX-LJQANCHMSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735342 1252338963 /nfs/dbraw/zinc/33/89/63/1252338963.db2.gz IGTBGJMRRYSLEF-LJQANCHMSA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484350181 1252439259 /nfs/dbraw/zinc/43/92/59/1252439259.db2.gz FPVYJVPOJYKTDF-GJZGRUSLSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995826605 1254749251 /nfs/dbraw/zinc/74/92/51/1254749251.db2.gz QQQIAUXSEXYAMW-HOTGVXAUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996680778 1255734127 /nfs/dbraw/zinc/73/41/27/1255734127.db2.gz VEHVJQQYGZRLTG-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439062 1255823290 /nfs/dbraw/zinc/82/32/90/1255823290.db2.gz PZSKPRNWWTVXCS-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107457573 1255874228 /nfs/dbraw/zinc/87/42/28/1255874228.db2.gz DFQYWDHHIUANKG-CRAIPNDOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457573 1255874231 /nfs/dbraw/zinc/87/42/31/1255874231.db2.gz DFQYWDHHIUANKG-CRAIPNDOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457573 1255874238 /nfs/dbraw/zinc/87/42/38/1255874238.db2.gz DFQYWDHHIUANKG-CRAIPNDOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578970 1256190322 /nfs/dbraw/zinc/19/03/22/1256190322.db2.gz MBKRXISAZILMHP-UYAOXDASSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578970 1256190325 /nfs/dbraw/zinc/19/03/25/1256190325.db2.gz MBKRXISAZILMHP-UYAOXDASSA-N 2 1 344.503 2.909 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609244 1256287467 /nfs/dbraw/zinc/28/74/67/1256287467.db2.gz KMVMFTLBUCDYKC-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609244 1256287472 /nfs/dbraw/zinc/28/74/72/1256287472.db2.gz KMVMFTLBUCDYKC-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609244 1256287475 /nfs/dbraw/zinc/28/74/75/1256287475.db2.gz KMVMFTLBUCDYKC-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643939 1256364004 /nfs/dbraw/zinc/36/40/04/1256364004.db2.gz ZUYANMHDPLUUNT-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652583 1256367182 /nfs/dbraw/zinc/36/71/82/1256367182.db2.gz WYLBKGOMLKGVSQ-TZIWHRDSSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652583 1256367186 /nfs/dbraw/zinc/36/71/86/1256367186.db2.gz WYLBKGOMLKGVSQ-TZIWHRDSSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652583 1256367189 /nfs/dbraw/zinc/36/71/89/1256367189.db2.gz WYLBKGOMLKGVSQ-TZIWHRDSSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652583 1256367193 /nfs/dbraw/zinc/36/71/93/1256367193.db2.gz WYLBKGOMLKGVSQ-TZIWHRDSSA-N 2 1 341.499 2.665 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997150572 1257115309 /nfs/dbraw/zinc/11/53/09/1257115309.db2.gz ZELXYSOWQBJJGB-MJGOQNOKSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997150572 1257115311 /nfs/dbraw/zinc/11/53/11/1257115311.db2.gz ZELXYSOWQBJJGB-MJGOQNOKSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406093 1257125177 /nfs/dbraw/zinc/12/51/77/1257125177.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406093 1257125181 /nfs/dbraw/zinc/12/51/81/1257125181.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406093 1257125183 /nfs/dbraw/zinc/12/51/83/1257125183.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997190936 1257249976 /nfs/dbraw/zinc/24/99/76/1257249976.db2.gz OFSKLZIMQUJQSP-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997278660 1257323562 /nfs/dbraw/zinc/32/35/62/1257323562.db2.gz IMFWKALNFASKDJ-YLJYHZDGSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997407804 1257582765 /nfs/dbraw/zinc/58/27/65/1257582765.db2.gz AICAWILYCIPVQQ-XLIONFOSSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910825 1257635083 /nfs/dbraw/zinc/63/50/83/1257635083.db2.gz VSMUDKOURSVONL-NMLBUPMWSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617592 1258120717 /nfs/dbraw/zinc/12/07/17/1258120717.db2.gz JFIBQEIQVQOGNB-RDJZCZTQSA-N 2 1 330.476 2.553 20 30 EFEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997724092 1258310708 /nfs/dbraw/zinc/31/07/08/1258310708.db2.gz IMFWKALNFASKDJ-PXNSSMCTSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997748835 1258351061 /nfs/dbraw/zinc/35/10/61/1258351061.db2.gz PGCDYKXKEIAIIN-MAUKXSAKSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997845529 1258521581 /nfs/dbraw/zinc/52/15/81/1258521581.db2.gz AICAWILYCIPVQQ-PXNSSMCTSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998108881 1259121208 /nfs/dbraw/zinc/12/12/08/1259121208.db2.gz HELFFWQVNSNXRD-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998162028 1259175001 /nfs/dbraw/zinc/17/50/01/1259175001.db2.gz AFNZYPIIVAOCTO-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143978 1259952313 /nfs/dbraw/zinc/95/23/13/1259952313.db2.gz NAQUHCLLOFNXFQ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540071 1260404933 /nfs/dbraw/zinc/40/49/33/1260404933.db2.gz DQFNSABSBWBGGA-BJLQDIEVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999355758 1260538527 /nfs/dbraw/zinc/53/85/27/1260538527.db2.gz XDMMRWGPVPYRKK-DOTOQJQBSA-N 2 1 339.911 2.727 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000999390733 1260588175 /nfs/dbraw/zinc/58/81/75/1260588175.db2.gz HDPJVKHDHKNJLO-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000999390733 1260588177 /nfs/dbraw/zinc/58/81/77/1260588177.db2.gz HDPJVKHDHKNJLO-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406898 1260601327 /nfs/dbraw/zinc/60/13/27/1260601327.db2.gz BOWJPGFNYGYVPN-MQBCKMQZSA-N 2 1 345.890 2.530 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999671564 1260815850 /nfs/dbraw/zinc/81/58/50/1260815850.db2.gz KAGWAEZBFDSAJB-JCYILVPMSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586485 1266416047 /nfs/dbraw/zinc/41/60/47/1266416047.db2.gz KJCNPNDASQGCGQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586485 1266416054 /nfs/dbraw/zinc/41/60/54/1266416054.db2.gz KJCNPNDASQGCGQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586485 1266416061 /nfs/dbraw/zinc/41/60/61/1266416061.db2.gz KJCNPNDASQGCGQ-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006085669 1261676299 /nfs/dbraw/zinc/67/62/99/1261676299.db2.gz YWKBNUAINUOFBH-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006085669 1261676306 /nfs/dbraw/zinc/67/63/06/1261676306.db2.gz YWKBNUAINUOFBH-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904358 1261724161 /nfs/dbraw/zinc/72/41/61/1261724161.db2.gz DHRIOKGUVLHDGJ-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006120946 1261812810 /nfs/dbraw/zinc/81/28/10/1261812810.db2.gz SRGWSXGIWFRPAT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001230741 1261989828 /nfs/dbraw/zinc/98/98/28/1261989828.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230741 1261989837 /nfs/dbraw/zinc/98/98/37/1261989837.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230741 1261989846 /nfs/dbraw/zinc/98/98/46/1261989846.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001405806 1262182328 /nfs/dbraw/zinc/18/23/28/1262182328.db2.gz USFCTVWMKPGOOP-MOPGFXCFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844133 /nfs/dbraw/zinc/84/41/33/1263844133.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844157 /nfs/dbraw/zinc/84/41/57/1263844157.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844185 /nfs/dbraw/zinc/84/41/85/1263844185.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356775 1263852566 /nfs/dbraw/zinc/85/25/66/1263852566.db2.gz ZRXMMPZFBOXKIA-GVDBMIGSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356775 1263852583 /nfs/dbraw/zinc/85/25/83/1263852583.db2.gz ZRXMMPZFBOXKIA-GVDBMIGSSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700806 1264243021 /nfs/dbraw/zinc/24/30/21/1264243021.db2.gz BBJGEHHAWWFDNZ-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001003056192 1264534924 /nfs/dbraw/zinc/53/49/24/1264534924.db2.gz MOXMYNFPFBHFPS-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001003056192 1264534927 /nfs/dbraw/zinc/53/49/27/1264534927.db2.gz MOXMYNFPFBHFPS-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938980 1264712158 /nfs/dbraw/zinc/71/21/58/1264712158.db2.gz NPMSMRDGKKXTOK-ZACQAIPSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938980 1264712167 /nfs/dbraw/zinc/71/21/67/1264712167.db2.gz NPMSMRDGKKXTOK-ZACQAIPSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938980 1264712179 /nfs/dbraw/zinc/71/21/79/1264712179.db2.gz NPMSMRDGKKXTOK-ZACQAIPSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938980 1264712188 /nfs/dbraw/zinc/71/21/88/1264712188.db2.gz NPMSMRDGKKXTOK-ZACQAIPSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953501 1264755779 /nfs/dbraw/zinc/75/57/79/1264755779.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953501 1264755785 /nfs/dbraw/zinc/75/57/85/1264755785.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953501 1264755790 /nfs/dbraw/zinc/75/57/90/1264755790.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958196 1264763690 /nfs/dbraw/zinc/76/36/90/1264763690.db2.gz PXPBMEJMLXUZLK-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958196 1264763696 /nfs/dbraw/zinc/76/36/96/1264763696.db2.gz PXPBMEJMLXUZLK-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958196 1264763700 /nfs/dbraw/zinc/76/37/00/1264763700.db2.gz PXPBMEJMLXUZLK-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978202 1264805381 /nfs/dbraw/zinc/80/53/81/1264805381.db2.gz BSTWLYBCQNBOMS-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978202 1264805395 /nfs/dbraw/zinc/80/53/95/1264805395.db2.gz BSTWLYBCQNBOMS-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978202 1264805416 /nfs/dbraw/zinc/80/54/16/1264805416.db2.gz BSTWLYBCQNBOMS-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737151 1265113801 /nfs/dbraw/zinc/11/38/01/1265113801.db2.gz HYPQSFKGDFXCHI-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737151 1265113813 /nfs/dbraw/zinc/11/38/13/1265113813.db2.gz HYPQSFKGDFXCHI-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101422 1265144616 /nfs/dbraw/zinc/14/46/16/1265144616.db2.gz JPESGIGNLRWORY-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101546 1265144749 /nfs/dbraw/zinc/14/47/49/1265144749.db2.gz QACSECSCILJFFH-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586830 1266433386 /nfs/dbraw/zinc/43/33/86/1266433386.db2.gz YYRKTWMXPPZAIE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586830 1266433389 /nfs/dbraw/zinc/43/33/89/1266433389.db2.gz YYRKTWMXPPZAIE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586830 1266433391 /nfs/dbraw/zinc/43/33/91/1266433391.db2.gz YYRKTWMXPPZAIE-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080888 1266446682 /nfs/dbraw/zinc/44/66/82/1266446682.db2.gz DYHWMYAWVJFVKG-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033080888 1266446686 /nfs/dbraw/zinc/44/66/86/1266446686.db2.gz DYHWMYAWVJFVKG-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033080888 1266446688 /nfs/dbraw/zinc/44/66/88/1266446688.db2.gz DYHWMYAWVJFVKG-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP N#Cc1cccc2c1CC[C@H]2Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171063465 1278266236 /nfs/dbraw/zinc/26/62/36/1278266236.db2.gz WNOCEGRALXDREI-GOSISDBHSA-N 2 1 329.407 2.992 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591118 1266531434 /nfs/dbraw/zinc/53/14/34/1266531434.db2.gz OHAMGGQQSBVBPV-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591118 1266531437 /nfs/dbraw/zinc/53/14/37/1266531437.db2.gz OHAMGGQQSBVBPV-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591118 1266531440 /nfs/dbraw/zinc/53/14/40/1266531440.db2.gz OHAMGGQQSBVBPV-WCIQWLHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597736 1266697274 /nfs/dbraw/zinc/69/72/74/1266697274.db2.gz IDLXNLKDSZINNZ-OKZBNKHCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597736 1266697276 /nfs/dbraw/zinc/69/72/76/1266697276.db2.gz IDLXNLKDSZINNZ-OKZBNKHCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597735 1266697669 /nfs/dbraw/zinc/69/76/69/1266697669.db2.gz IDLXNLKDSZINNZ-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597735 1266697677 /nfs/dbraw/zinc/69/76/77/1266697677.db2.gz IDLXNLKDSZINNZ-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCCCC2)cc[nH+]1 ZINC001171068159 1278289286 /nfs/dbraw/zinc/28/92/86/1278289286.db2.gz VJUSIPHCYCSDJZ-KRWDZBQOSA-N 2 1 346.475 2.711 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004438973 1266999816 /nfs/dbraw/zinc/99/98/16/1266999816.db2.gz XTWGSJQBVQHFNC-MOPGFXCFSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438973 1266999821 /nfs/dbraw/zinc/99/98/21/1266999821.db2.gz XTWGSJQBVQHFNC-MOPGFXCFSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438973 1266999827 /nfs/dbraw/zinc/99/98/27/1266999827.db2.gz XTWGSJQBVQHFNC-MOPGFXCFSA-N 2 1 333.520 2.748 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004447494 1267028680 /nfs/dbraw/zinc/02/86/80/1267028680.db2.gz SPQMHLBBFJTERW-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004447494 1267028692 /nfs/dbraw/zinc/02/86/92/1267028692.db2.gz SPQMHLBBFJTERW-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004447494 1267028703 /nfs/dbraw/zinc/02/87/03/1267028703.db2.gz SPQMHLBBFJTERW-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004455920 1267084013 /nfs/dbraw/zinc/08/40/13/1267084013.db2.gz BXYBKLMEOUQHNK-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455920 1267084024 /nfs/dbraw/zinc/08/40/24/1267084024.db2.gz BXYBKLMEOUQHNK-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455920 1267084034 /nfs/dbraw/zinc/08/40/34/1267084034.db2.gz BXYBKLMEOUQHNK-VQTJNVASSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCC)CC1 ZINC001004456828 1267084726 /nfs/dbraw/zinc/08/47/26/1267084726.db2.gz ILJQMDQWTHQEEA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCC)CC1 ZINC001004456828 1267084735 /nfs/dbraw/zinc/08/47/35/1267084735.db2.gz ILJQMDQWTHQEEA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCC)CC1 ZINC001004456828 1267084742 /nfs/dbraw/zinc/08/47/42/1267084742.db2.gz ILJQMDQWTHQEEA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCC)CC1 ZINC001004456828 1267084756 /nfs/dbraw/zinc/08/47/56/1267084756.db2.gz ILJQMDQWTHQEEA-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004457673 1267088509 /nfs/dbraw/zinc/08/85/09/1267088509.db2.gz JSNMIBBZWUOZIB-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457673 1267088519 /nfs/dbraw/zinc/08/85/19/1267088519.db2.gz JSNMIBBZWUOZIB-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457673 1267088527 /nfs/dbraw/zinc/08/85/27/1267088527.db2.gz JSNMIBBZWUOZIB-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457973 1267092974 /nfs/dbraw/zinc/09/29/74/1267092974.db2.gz MULUAOZGCMTARM-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474481 1267121452 /nfs/dbraw/zinc/12/14/52/1267121452.db2.gz OVNDRFJWKXDXTK-SJORKVTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004474880 1267122813 /nfs/dbraw/zinc/12/28/13/1267122813.db2.gz FRPCIVZZMTWWRY-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004489651 1267143913 /nfs/dbraw/zinc/14/39/13/1267143913.db2.gz MYSHWXLFKHSWSC-LJQANCHMSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004565988 1267299259 /nfs/dbraw/zinc/29/92/59/1267299259.db2.gz BFTQLAVURMGWER-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004567025 1267301698 /nfs/dbraw/zinc/30/16/98/1267301698.db2.gz GOUXLXBELCNZNE-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004576296 1267316634 /nfs/dbraw/zinc/31/66/34/1267316634.db2.gz FFPMTSOAVOHBJF-SFHVURJKSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004576296 1267316646 /nfs/dbraw/zinc/31/66/46/1267316646.db2.gz FFPMTSOAVOHBJF-SFHVURJKSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631415 1267337759 /nfs/dbraw/zinc/33/77/59/1267337759.db2.gz GHGDHUWTMVVJJC-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631415 1267337764 /nfs/dbraw/zinc/33/77/64/1267337764.db2.gz GHGDHUWTMVVJJC-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631415 1267337769 /nfs/dbraw/zinc/33/77/69/1267337769.db2.gz GHGDHUWTMVVJJC-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631616 1267344024 /nfs/dbraw/zinc/34/40/24/1267344024.db2.gz QNRNJTQSOYMIDE-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631616 1267344035 /nfs/dbraw/zinc/34/40/35/1267344035.db2.gz QNRNJTQSOYMIDE-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631616 1267344045 /nfs/dbraw/zinc/34/40/45/1267344045.db2.gz QNRNJTQSOYMIDE-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004599468 1267376048 /nfs/dbraw/zinc/37/60/48/1267376048.db2.gz HNAOAGIKKPJUPU-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001004599468 1267376062 /nfs/dbraw/zinc/37/60/62/1267376062.db2.gz HNAOAGIKKPJUPU-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001004599468 1267376076 /nfs/dbraw/zinc/37/60/76/1267376076.db2.gz HNAOAGIKKPJUPU-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615038 1267385496 /nfs/dbraw/zinc/38/54/96/1267385496.db2.gz DETMZJKCFVADTG-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615038 1267385509 /nfs/dbraw/zinc/38/55/09/1267385509.db2.gz DETMZJKCFVADTG-LJQANCHMSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004609022 1267394485 /nfs/dbraw/zinc/39/44/85/1267394485.db2.gz DDTRJTIDEYTAMG-LJQANCHMSA-N 2 1 344.503 2.632 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033160064 1267584663 /nfs/dbraw/zinc/58/46/63/1267584663.db2.gz DFEPFXZTMQSPLP-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033160064 1267584669 /nfs/dbraw/zinc/58/46/69/1267584669.db2.gz DFEPFXZTMQSPLP-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033160064 1267584675 /nfs/dbraw/zinc/58/46/75/1267584675.db2.gz DFEPFXZTMQSPLP-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033160064 1267584684 /nfs/dbraw/zinc/58/46/84/1267584684.db2.gz DFEPFXZTMQSPLP-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033161311 1267591559 /nfs/dbraw/zinc/59/15/59/1267591559.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033161311 1267591568 /nfs/dbraw/zinc/59/15/68/1267591568.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033161311 1267591573 /nfs/dbraw/zinc/59/15/73/1267591573.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033161311 1267591577 /nfs/dbraw/zinc/59/15/77/1267591577.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033161311 1267591585 /nfs/dbraw/zinc/59/15/85/1267591585.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033161314 1267591885 /nfs/dbraw/zinc/59/18/85/1267591885.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033161314 1267591889 /nfs/dbraw/zinc/59/18/89/1267591889.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033161314 1267591892 /nfs/dbraw/zinc/59/18/92/1267591892.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033161314 1267591899 /nfs/dbraw/zinc/59/18/99/1267591899.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033161314 1267591901 /nfs/dbraw/zinc/59/19/01/1267591901.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273101407 1267677869 /nfs/dbraw/zinc/67/78/69/1267677869.db2.gz UJLCTZYIPBPEHX-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639970 1268097396 /nfs/dbraw/zinc/09/73/96/1268097396.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639970 1268097409 /nfs/dbraw/zinc/09/74/09/1268097409.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639970 1268097422 /nfs/dbraw/zinc/09/74/22/1268097422.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742288 1268391904 /nfs/dbraw/zinc/39/19/04/1268391904.db2.gz NEWFGIVZUHTCQO-LJQANCHMSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819894 1268655434 /nfs/dbraw/zinc/65/54/34/1268655434.db2.gz LAJQLMCBWSWMNP-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819936 1268655822 /nfs/dbraw/zinc/65/58/22/1268655822.db2.gz MBAWSKKCRTYRDE-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819937 1268656099 /nfs/dbraw/zinc/65/60/99/1268656099.db2.gz MBAWSKKCRTYRDE-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775491 /nfs/dbraw/zinc/77/54/91/1268775491.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775497 /nfs/dbraw/zinc/77/54/97/1268775497.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775503 /nfs/dbraw/zinc/77/55/03/1268775503.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775889 /nfs/dbraw/zinc/77/58/89/1268775889.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775896 /nfs/dbraw/zinc/77/58/96/1268775896.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775900 /nfs/dbraw/zinc/77/59/00/1268775900.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809032 1268790223 /nfs/dbraw/zinc/79/02/23/1268790223.db2.gz WTONITDZBBDXFO-SLFFLAALSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366404 1268948852 /nfs/dbraw/zinc/94/88/52/1268948852.db2.gz WZCUKLNCWLXDFY-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366667 1268950093 /nfs/dbraw/zinc/95/00/93/1268950093.db2.gz YACBTTNCXZWWJR-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366667 1268950099 /nfs/dbraw/zinc/95/00/99/1268950099.db2.gz YACBTTNCXZWWJR-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366667 1268950104 /nfs/dbraw/zinc/95/01/04/1268950104.db2.gz YACBTTNCXZWWJR-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832405 1270295066 /nfs/dbraw/zinc/29/50/66/1270295066.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832405 1270295073 /nfs/dbraw/zinc/29/50/73/1270295073.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832405 1270295079 /nfs/dbraw/zinc/29/50/79/1270295079.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835643 1270308376 /nfs/dbraw/zinc/30/83/76/1270308376.db2.gz KHIQXSKNCRGTSY-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835643 1270308383 /nfs/dbraw/zinc/30/83/83/1270308383.db2.gz KHIQXSKNCRGTSY-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835643 1270308385 /nfs/dbraw/zinc/30/83/85/1270308385.db2.gz KHIQXSKNCRGTSY-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395928 1270336610 /nfs/dbraw/zinc/33/66/10/1270336610.db2.gz LBWXMLHTMHNQEP-SFHVURJKSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855015 1270372446 /nfs/dbraw/zinc/37/24/46/1270372446.db2.gz GACHVWFATNSJGQ-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855015 1270372455 /nfs/dbraw/zinc/37/24/55/1270372455.db2.gz GACHVWFATNSJGQ-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856777 1270401929 /nfs/dbraw/zinc/40/19/29/1270401929.db2.gz WGAAJEAUUYDWFI-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856777 1270401933 /nfs/dbraw/zinc/40/19/33/1270401933.db2.gz WGAAJEAUUYDWFI-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856777 1270401937 /nfs/dbraw/zinc/40/19/37/1270401937.db2.gz WGAAJEAUUYDWFI-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033954205 1270685487 /nfs/dbraw/zinc/68/54/87/1270685487.db2.gz QPNYQAFTKMWTFG-FQEVSTJZSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939128 1270701785 /nfs/dbraw/zinc/70/17/85/1270701785.db2.gz GAXUKRAIISKMJW-HKUYNNGSSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939128 1270701791 /nfs/dbraw/zinc/70/17/91/1270701791.db2.gz GAXUKRAIISKMJW-HKUYNNGSSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034047087 1270958106 /nfs/dbraw/zinc/95/81/06/1270958106.db2.gz YMHXVSHCWLHFOR-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050081 1270965646 /nfs/dbraw/zinc/96/56/46/1270965646.db2.gz FKGJDCCOPPMKAJ-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503027 1271033741 /nfs/dbraw/zinc/03/37/41/1271033741.db2.gz HJDZRXQODRJYMI-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503027 1271033744 /nfs/dbraw/zinc/03/37/44/1271033744.db2.gz HJDZRXQODRJYMI-QGZVFWFLSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086367060 1271162773 /nfs/dbraw/zinc/16/27/73/1271162773.db2.gz WLAJCEOCLHHNRQ-BZSNNMDCSA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250435 1271426794 /nfs/dbraw/zinc/42/67/94/1271426794.db2.gz QHCVPMRUPHQETK-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034261339 1271472695 /nfs/dbraw/zinc/47/26/95/1271472695.db2.gz WMPSBHOLZULSRZ-SFHVURJKSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251212 1271474385 /nfs/dbraw/zinc/47/43/85/1271474385.db2.gz XEVUHLOPROVHLW-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251212 1271474391 /nfs/dbraw/zinc/47/43/91/1271474391.db2.gz XEVUHLOPROVHLW-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251212 1271474397 /nfs/dbraw/zinc/47/43/97/1271474397.db2.gz XEVUHLOPROVHLW-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251212 1271474406 /nfs/dbraw/zinc/47/44/06/1271474406.db2.gz XEVUHLOPROVHLW-IAGOWNOFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034366140 1271787771 /nfs/dbraw/zinc/78/77/71/1271787771.db2.gz XEOCVVIFIFWHLX-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366140 1271787779 /nfs/dbraw/zinc/78/77/79/1271787779.db2.gz XEOCVVIFIFWHLX-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366140 1271787785 /nfs/dbraw/zinc/78/77/85/1271787785.db2.gz XEOCVVIFIFWHLX-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544210 1272258919 /nfs/dbraw/zinc/25/89/19/1272258919.db2.gz GRTVZAASOUVPDR-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034663654 1272450518 /nfs/dbraw/zinc/45/05/18/1272450518.db2.gz GBWBVUWPQAXDLC-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034663654 1272450524 /nfs/dbraw/zinc/45/05/24/1272450524.db2.gz GBWBVUWPQAXDLC-UFYCRDLUSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005580468 1272492090 /nfs/dbraw/zinc/49/20/90/1272492090.db2.gz GPMVQOCNLDHSDA-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034685039 1272592674 /nfs/dbraw/zinc/59/26/74/1272592674.db2.gz UEPWJGBFLSOGHW-ULQDDVLXSA-N 2 1 341.927 2.876 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133887 1272695764 /nfs/dbraw/zinc/69/57/64/1272695764.db2.gz MLYALJTXBLKTDA-USYVTKNRSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133887 1272695777 /nfs/dbraw/zinc/69/57/77/1272695777.db2.gz MLYALJTXBLKTDA-USYVTKNRSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133887 1272695788 /nfs/dbraw/zinc/69/57/88/1272695788.db2.gz MLYALJTXBLKTDA-USYVTKNRSA-N 2 1 334.504 2.685 20 30 EFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001169111939 1272702902 /nfs/dbraw/zinc/70/29/02/1272702902.db2.gz RDTJYZHASKAWEJ-MZADTFQBSA-N 2 1 338.499 2.737 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CC)CC1)[C@H]2CC ZINC001169251727 1272775094 /nfs/dbraw/zinc/77/50/94/1272775094.db2.gz YOYAECSCDZNEAI-ICSRJNTNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CC)CC1)[C@H]2CC ZINC001169251727 1272775103 /nfs/dbraw/zinc/77/51/03/1272775103.db2.gz YOYAECSCDZNEAI-ICSRJNTNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=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 ZINC001108764566 1273467459 /nfs/dbraw/zinc/46/74/59/1273467459.db2.gz PKVYZHZGFSXGBG-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836146 1273546104 /nfs/dbraw/zinc/54/61/04/1273546104.db2.gz OFARVQKFDQQAPV-ZCNNSNEGSA-N 2 1 341.499 2.664 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836146 1273546112 /nfs/dbraw/zinc/54/61/12/1273546112.db2.gz OFARVQKFDQQAPV-ZCNNSNEGSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035183938 1273748593 /nfs/dbraw/zinc/74/85/93/1273748593.db2.gz APDZEPBGLHMPEU-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184375 1273750381 /nfs/dbraw/zinc/75/03/81/1273750381.db2.gz JHIMFVXDCLZJRX-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184375 1273750391 /nfs/dbraw/zinc/75/03/91/1273750391.db2.gz JHIMFVXDCLZJRX-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184375 1273750396 /nfs/dbraw/zinc/75/03/96/1273750396.db2.gz JHIMFVXDCLZJRX-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196228 1273758071 /nfs/dbraw/zinc/75/80/71/1273758071.db2.gz YIZACJSCAWCQIC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196228 1273758077 /nfs/dbraw/zinc/75/80/77/1273758077.db2.gz YIZACJSCAWCQIC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196228 1273758081 /nfs/dbraw/zinc/75/80/81/1273758081.db2.gz YIZACJSCAWCQIC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197132 1273759532 /nfs/dbraw/zinc/75/95/32/1273759532.db2.gz ISVLIWBBSSBXFJ-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035197132 1273759537 /nfs/dbraw/zinc/75/95/37/1273759537.db2.gz ISVLIWBBSSBXFJ-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035197132 1273759541 /nfs/dbraw/zinc/75/95/41/1273759541.db2.gz ISVLIWBBSSBXFJ-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202010 1273773445 /nfs/dbraw/zinc/77/34/45/1273773445.db2.gz PWWLHMMMXYEQNO-UHFFFAOYSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204767 1273782109 /nfs/dbraw/zinc/78/21/09/1273782109.db2.gz BOPSUBKEONCOQA-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188588 1273797393 /nfs/dbraw/zinc/79/73/93/1273797393.db2.gz GGDWPBZHSQUSFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188588 1273797403 /nfs/dbraw/zinc/79/74/03/1273797403.db2.gz GGDWPBZHSQUSFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188588 1273797409 /nfs/dbraw/zinc/79/74/09/1273797409.db2.gz GGDWPBZHSQUSFL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035191689 1273808332 /nfs/dbraw/zinc/80/83/32/1273808332.db2.gz BHGJMLDBSWDSCE-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191689 1273808346 /nfs/dbraw/zinc/80/83/46/1273808346.db2.gz BHGJMLDBSWDSCE-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191689 1273808358 /nfs/dbraw/zinc/80/83/58/1273808358.db2.gz BHGJMLDBSWDSCE-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC2 ZINC001035195733 1273820209 /nfs/dbraw/zinc/82/02/09/1273820209.db2.gz GVLWJODMOKZYEG-IAGOWNOFSA-N 2 1 342.487 2.794 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226658 1273846481 /nfs/dbraw/zinc/84/64/81/1273846481.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035226658 1273846489 /nfs/dbraw/zinc/84/64/89/1273846489.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035226658 1273846495 /nfs/dbraw/zinc/84/64/95/1273846495.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213184 1273869187 /nfs/dbraw/zinc/86/91/87/1273869187.db2.gz RIGMUIVAWBDBSS-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216201 1273876928 /nfs/dbraw/zinc/87/69/28/1273876928.db2.gz VNRJVYFOGGKXMQ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216201 1273876943 /nfs/dbraw/zinc/87/69/43/1273876943.db2.gz VNRJVYFOGGKXMQ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216201 1273876951 /nfs/dbraw/zinc/87/69/51/1273876951.db2.gz VNRJVYFOGGKXMQ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236775 1273897410 /nfs/dbraw/zinc/89/74/10/1273897410.db2.gz CUBAFOZWDDWPBI-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236775 1273897418 /nfs/dbraw/zinc/89/74/18/1273897418.db2.gz CUBAFOZWDDWPBI-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236775 1273897429 /nfs/dbraw/zinc/89/74/29/1273897429.db2.gz CUBAFOZWDDWPBI-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035248069 1273925084 /nfs/dbraw/zinc/92/50/84/1273925084.db2.gz WWZYNURJVKFPFJ-UHFFFAOYSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260320 1273954744 /nfs/dbraw/zinc/95/47/44/1273954744.db2.gz UAGIPSMPPLWXAD-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260320 1273954753 /nfs/dbraw/zinc/95/47/53/1273954753.db2.gz UAGIPSMPPLWXAD-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)nc3C1)C2 ZINC001109462104 1274305757 /nfs/dbraw/zinc/30/57/57/1274305757.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 1 342.487 2.511 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)nc3C1)C2 ZINC001109462104 1274305763 /nfs/dbraw/zinc/30/57/63/1274305763.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 1 342.487 2.511 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474515 1274315168 /nfs/dbraw/zinc/31/51/68/1274315168.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474515 1274315175 /nfs/dbraw/zinc/31/51/75/1274315175.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474515 1274315181 /nfs/dbraw/zinc/31/51/81/1274315181.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469735 1274320459 /nfs/dbraw/zinc/32/04/59/1274320459.db2.gz IHMUBXMSMZTQAN-QYZOEREBSA-N 2 1 342.487 2.596 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035720659 1274406220 /nfs/dbraw/zinc/40/62/20/1274406220.db2.gz MKMPRPUWTHTEPW-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035720127 1274406747 /nfs/dbraw/zinc/40/67/47/1274406747.db2.gz KLNABCANJJRHMH-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720923 1274407340 /nfs/dbraw/zinc/40/73/40/1274407340.db2.gz OTYVJBYFQOVMAR-GOSISDBHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035733009 1274423835 /nfs/dbraw/zinc/42/38/35/1274423835.db2.gz KXTJZNYNCDXXRZ-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565366 1274430638 /nfs/dbraw/zinc/43/06/38/1274430638.db2.gz MIVXRNQABWGDNV-SQNIBIBYSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773053 1274497785 /nfs/dbraw/zinc/49/77/85/1274497785.db2.gz PKKXDKUNMDAUOI-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035809851 1274539739 /nfs/dbraw/zinc/53/97/39/1274539739.db2.gz CDRNBFOFXVHAPL-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837024 1274574096 /nfs/dbraw/zinc/57/40/96/1274574096.db2.gz FDXVTZASLWDZGN-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035856795 1274604059 /nfs/dbraw/zinc/60/40/59/1274604059.db2.gz COOAYHOJXGWREZ-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109957639 1274906084 /nfs/dbraw/zinc/90/60/84/1274906084.db2.gz NGETXWZECABEBC-AABGKKOBSA-N 2 1 345.531 2.796 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncn1C)C2 ZINC001109976240 1274920304 /nfs/dbraw/zinc/92/03/04/1274920304.db2.gz YAIKLLFEFVOJOB-NJAFHUGGSA-N 2 1 332.492 2.655 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586378 1275311952 /nfs/dbraw/zinc/31/19/52/1275311952.db2.gz WRCIGSDVJRSQNV-ZVDOUQERSA-N 2 1 341.499 2.694 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864898 1276139627 /nfs/dbraw/zinc/13/96/27/1276139627.db2.gz ISEXSRDTNXRDQM-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112909454 1276229091 /nfs/dbraw/zinc/22/90/91/1276229091.db2.gz RAZDPKCDMQVKNB-KRWDZBQOSA-N 2 1 329.504 2.781 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974070 1276271431 /nfs/dbraw/zinc/27/14/31/1276271431.db2.gz HYRDLBWENSVQKN-SJORKVTESA-N 2 1 344.503 2.663 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001113008317 1276473988 /nfs/dbraw/zinc/47/39/88/1276473988.db2.gz NCGCLOBAGRFEFU-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001113008317 1276473993 /nfs/dbraw/zinc/47/39/93/1276473993.db2.gz NCGCLOBAGRFEFU-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016469 1276590503 /nfs/dbraw/zinc/59/05/03/1276590503.db2.gz ZQZOHYQIBHGWND-IFMALSPDSA-N 2 1 349.478 2.746 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861572 1276829582 /nfs/dbraw/zinc/82/95/82/1276829582.db2.gz UYUGCKDUOGASBC-CALCHBBNSA-N 2 1 342.487 2.508 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146440 1277087387 /nfs/dbraw/zinc/08/73/87/1277087387.db2.gz ABNMFALVLYUZLP-LJQANCHMSA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113418910 1277789192 /nfs/dbraw/zinc/78/91/92/1277789192.db2.gz IVGJQDAQAXAKMQ-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113418910 1277789197 /nfs/dbraw/zinc/78/91/97/1277789197.db2.gz IVGJQDAQAXAKMQ-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522458 1278015313 /nfs/dbraw/zinc/01/53/13/1278015313.db2.gz AHDLQKPYMWZRQQ-WIYYLYMNSA-N 2 1 343.515 2.962 20 30 EFEDMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396062 1279070629 /nfs/dbraw/zinc/07/06/29/1279070629.db2.gz UKTQIAIKGIMFQW-UHFFFAOYSA-N 2 1 340.515 2.570 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001144160382 1279184749 /nfs/dbraw/zinc/18/47/49/1279184749.db2.gz IMQJJMOAOATTRX-UHFFFAOYSA-N 2 1 347.466 2.836 20 30 EFEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC001144569356 1279851319 /nfs/dbraw/zinc/85/13/19/1279851319.db2.gz PTQIAAVCNUXJTN-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC001144569356 1279851328 /nfs/dbraw/zinc/85/13/28/1279851328.db2.gz PTQIAAVCNUXJTN-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001144569356 1279851337 /nfs/dbraw/zinc/85/13/37/1279851337.db2.gz PTQIAAVCNUXJTN-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001144569356 1279851350 /nfs/dbraw/zinc/85/13/50/1279851350.db2.gz PTQIAAVCNUXJTN-YADHBBJMSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001144569194 1279851507 /nfs/dbraw/zinc/85/15/07/1279851507.db2.gz MQEVYUYIPPCYNW-UHFFFAOYSA-N 2 1 334.467 2.519 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000794146856 1280046028 /nfs/dbraw/zinc/04/60/28/1280046028.db2.gz HSTCVQFVIOLYNX-IBGZPJMESA-N 2 1 329.488 2.523 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236042 1280292291 /nfs/dbraw/zinc/29/22/91/1280292291.db2.gz KMDZLXXSALCDHA-DLBZAZTESA-N 2 1 343.943 2.981 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001129771325 1280345141 /nfs/dbraw/zinc/34/51/41/1280345141.db2.gz VVGFVIFMGFSUAT-XLIONFOSSA-N 2 1 341.499 2.674 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001129771325 1280345151 /nfs/dbraw/zinc/34/51/51/1280345151.db2.gz VVGFVIFMGFSUAT-XLIONFOSSA-N 2 1 341.499 2.674 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248319 1280440280 /nfs/dbraw/zinc/44/02/80/1280440280.db2.gz SHGATIPPONUNKD-HUUCEWRRSA-N 2 1 338.883 2.778 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707361 1281005341 /nfs/dbraw/zinc/00/53/41/1281005341.db2.gz RMSGYGSHFJWQDR-MSOLQXFVSA-N 2 1 331.504 2.958 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707361 1281005348 /nfs/dbraw/zinc/00/53/48/1281005348.db2.gz RMSGYGSHFJWQDR-MSOLQXFVSA-N 2 1 331.504 2.958 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707638 1281006080 /nfs/dbraw/zinc/00/60/80/1281006080.db2.gz VRCXPAOGRZORHK-CVEARBPZSA-N 2 1 337.895 2.744 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707638 1281006091 /nfs/dbraw/zinc/00/60/91/1281006091.db2.gz VRCXPAOGRZORHK-CVEARBPZSA-N 2 1 337.895 2.744 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171307713 1281191544 /nfs/dbraw/zinc/19/15/44/1281191544.db2.gz LFTRYBXGNDDFHC-QUCCMNQESA-N 2 1 341.499 2.549 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171307713 1281191547 /nfs/dbraw/zinc/19/15/47/1281191547.db2.gz LFTRYBXGNDDFHC-QUCCMNQESA-N 2 1 341.499 2.549 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147842251 1281316277 /nfs/dbraw/zinc/31/62/77/1281316277.db2.gz ZDCBDYLLCUMRRN-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842251 1281316288 /nfs/dbraw/zinc/31/62/88/1281316288.db2.gz ZDCBDYLLCUMRRN-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842251 1281316294 /nfs/dbraw/zinc/31/62/94/1281316294.db2.gz ZDCBDYLLCUMRRN-RBUKOAKNSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847223 1281320605 /nfs/dbraw/zinc/32/06/05/1281320605.db2.gz QVMICRPVYCRDHE-QGZVFWFLSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147890019 1281324554 /nfs/dbraw/zinc/32/45/54/1281324554.db2.gz PTFRVRQBIFLJGO-INIZCTEOSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021181 1287489339 /nfs/dbraw/zinc/48/93/39/1287489339.db2.gz MBUNPMJYRUXKTH-JKSUJKDBSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965411 1281364242 /nfs/dbraw/zinc/36/42/42/1281364242.db2.gz GXBKOAYGICXTIN-PKOBYXMFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986622 1281390198 /nfs/dbraw/zinc/39/01/98/1281390198.db2.gz SZRNLSFIGZQHIS-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147987124 1281390217 /nfs/dbraw/zinc/39/02/17/1281390217.db2.gz YKHMCKPMYKBUSE-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987124 1281390228 /nfs/dbraw/zinc/39/02/28/1281390228.db2.gz YKHMCKPMYKBUSE-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987124 1281390239 /nfs/dbraw/zinc/39/02/39/1281390239.db2.gz YKHMCKPMYKBUSE-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986689 1281390362 /nfs/dbraw/zinc/39/03/62/1281390362.db2.gz VLMWVZSKHLQIHX-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986689 1281390374 /nfs/dbraw/zinc/39/03/74/1281390374.db2.gz VLMWVZSKHLQIHX-UHFFFAOYSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993308 1281393096 /nfs/dbraw/zinc/39/30/96/1281393096.db2.gz RLVIMFDWSIHWHR-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001148126075 1281431768 /nfs/dbraw/zinc/43/17/68/1281431768.db2.gz SDUOMFREXBLBCO-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148126075 1281431769 /nfs/dbraw/zinc/43/17/69/1281431769.db2.gz SDUOMFREXBLBCO-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148126075 1281431771 /nfs/dbraw/zinc/43/17/71/1281431771.db2.gz SDUOMFREXBLBCO-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495138 /nfs/dbraw/zinc/49/51/38/1281495138.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 2 1 335.536 2.975 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495142 /nfs/dbraw/zinc/49/51/42/1281495142.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 2 1 335.536 2.975 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495148 /nfs/dbraw/zinc/49/51/48/1281495148.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 2 1 335.536 2.975 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148291629 1281497126 /nfs/dbraw/zinc/49/71/26/1281497126.db2.gz ATGNRGDZXSQISO-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148291629 1281497132 /nfs/dbraw/zinc/49/71/32/1281497132.db2.gz ATGNRGDZXSQISO-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418185 1281551992 /nfs/dbraw/zinc/55/19/92/1281551992.db2.gz DFJDOULXYQCZHY-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001148418185 1281551999 /nfs/dbraw/zinc/55/19/99/1281551999.db2.gz DFJDOULXYQCZHY-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001148418185 1281552008 /nfs/dbraw/zinc/55/20/08/1281552008.db2.gz DFJDOULXYQCZHY-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001148604972 1281646697 /nfs/dbraw/zinc/64/66/97/1281646697.db2.gz MDIKGESGVOLTFS-HNNXBMFYSA-N 2 1 330.476 2.576 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611648 1281652192 /nfs/dbraw/zinc/65/21/92/1281652192.db2.gz HSAXCBYMHRRRNI-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737935 1281685730 /nfs/dbraw/zinc/68/57/30/1281685730.db2.gz SCEIOHMJPTUXKE-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737935 1281685743 /nfs/dbraw/zinc/68/57/43/1281685743.db2.gz SCEIOHMJPTUXKE-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737935 1281685755 /nfs/dbraw/zinc/68/57/55/1281685755.db2.gz SCEIOHMJPTUXKE-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838579 1281778863 /nfs/dbraw/zinc/77/88/63/1281778863.db2.gz AVCWKSUXJFUYQM-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910360 1281913005 /nfs/dbraw/zinc/91/30/05/1281913005.db2.gz RQJLFXRMVIIYMF-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927497 1281925098 /nfs/dbraw/zinc/92/50/98/1281925098.db2.gz DKVHQOYJTXLQSO-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926233 1281945732 /nfs/dbraw/zinc/94/57/32/1281945732.db2.gz SJFDZDPOWIPIFQ-RTBURBONSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941236 1281970034 /nfs/dbraw/zinc/97/00/34/1281970034.db2.gz NVMIHTZWXFJOJZ-SFHVURJKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942189 1281971461 /nfs/dbraw/zinc/97/14/61/1281971461.db2.gz KVPGGXHAJPQGQI-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942190 1281971822 /nfs/dbraw/zinc/97/18/22/1281971822.db2.gz KVPGGXHAJPQGQI-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952833 1282016467 /nfs/dbraw/zinc/01/64/67/1282016467.db2.gz RLFJHKVBADIHLY-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804375 1282130961 /nfs/dbraw/zinc/13/09/61/1282130961.db2.gz BSVSQDLSUNMVNR-UZLBHIALSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804375 1282130975 /nfs/dbraw/zinc/13/09/75/1282130975.db2.gz BSVSQDLSUNMVNR-UZLBHIALSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804375 1282130989 /nfs/dbraw/zinc/13/09/89/1282130989.db2.gz BSVSQDLSUNMVNR-UZLBHIALSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804743 1282133121 /nfs/dbraw/zinc/13/31/21/1282133121.db2.gz SBCNBRUEAMDJTK-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804743 1282133135 /nfs/dbraw/zinc/13/31/35/1282133135.db2.gz SBCNBRUEAMDJTK-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804743 1282133149 /nfs/dbraw/zinc/13/31/49/1282133149.db2.gz SBCNBRUEAMDJTK-UTKZUKDTSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCOc1ccccc1[C@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171368640 1282170887 /nfs/dbraw/zinc/17/08/87/1282170887.db2.gz IMXVYRYGEBXHRC-HNNXBMFYSA-N 2 1 339.443 2.624 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070847 1282367355 /nfs/dbraw/zinc/36/73/55/1282367355.db2.gz ANWNEDWACQXHNP-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302902 1282550299 /nfs/dbraw/zinc/55/02/99/1282550299.db2.gz FFAACRUEIRTLDH-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304427 1282551372 /nfs/dbraw/zinc/55/13/72/1282551372.db2.gz JICFTUNVDZHLQP-SBHAEUEKSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304427 1282551380 /nfs/dbraw/zinc/55/13/80/1282551380.db2.gz JICFTUNVDZHLQP-SBHAEUEKSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129096 1283012822 /nfs/dbraw/zinc/01/28/22/1283012822.db2.gz SAJDLJAXGAKFBT-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141014 1283065230 /nfs/dbraw/zinc/06/52/30/1283065230.db2.gz NXGPFYKMWIHXHF-MSOLQXFVSA-N 2 1 344.503 2.843 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141145 1283065642 /nfs/dbraw/zinc/06/56/42/1283065642.db2.gz OKROYEDZMQPPRF-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141145 1283065651 /nfs/dbraw/zinc/06/56/51/1283065651.db2.gz OKROYEDZMQPPRF-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141145 1283065660 /nfs/dbraw/zinc/06/56/60/1283065660.db2.gz OKROYEDZMQPPRF-SJORKVTESA-N 2 1 333.520 2.632 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854783 1283075496 /nfs/dbraw/zinc/07/54/96/1283075496.db2.gz XCDCALBBWMGAAX-IEBWSBKVSA-N 2 1 343.515 2.665 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120990 1283263913 /nfs/dbraw/zinc/26/39/13/1283263913.db2.gz SGCGXPIZMAQONU-YLJYHZDGSA-N 2 1 347.547 2.759 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334682 1283351323 /nfs/dbraw/zinc/35/13/23/1283351323.db2.gz CAHRKQSCNAIXFY-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334682 1283351336 /nfs/dbraw/zinc/35/13/36/1283351336.db2.gz CAHRKQSCNAIXFY-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762622 1283478426 /nfs/dbraw/zinc/47/84/26/1283478426.db2.gz LVVSZDMIHDWDGI-WBVHZDCISA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224422 1283512589 /nfs/dbraw/zinc/51/25/89/1283512589.db2.gz VTRYNIPXLAFAJA-SJLPKXTDSA-N 2 1 329.488 2.622 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793719 1283724397 /nfs/dbraw/zinc/72/43/97/1283724397.db2.gz KKYNRRVTLHWVAR-CVEARBPZSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093370911 1283806289 /nfs/dbraw/zinc/80/62/89/1283806289.db2.gz GYWZKUAUIPSRPI-GOSISDBHSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093376903 1283826500 /nfs/dbraw/zinc/82/65/00/1283826500.db2.gz CLKNQEWUPVXQII-IBGZPJMESA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001093376552 1283826936 /nfs/dbraw/zinc/82/69/36/1283826936.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093376552 1283826946 /nfs/dbraw/zinc/82/69/46/1283826946.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093376552 1283826956 /nfs/dbraw/zinc/82/69/56/1283826956.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001093377044 1283829982 /nfs/dbraw/zinc/82/99/82/1283829982.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093377044 1283829989 /nfs/dbraw/zinc/82/99/89/1283829989.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093377044 1283829999 /nfs/dbraw/zinc/82/99/99/1283829999.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379674 1283839902 /nfs/dbraw/zinc/83/99/02/1283839902.db2.gz FYCLTMXLORKAEO-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000815652178 1287672157 /nfs/dbraw/zinc/67/21/57/1287672157.db2.gz SDWCETOMVVVYDP-OAHLLOKOSA-N 2 1 325.456 2.579 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000815652178 1287672158 /nfs/dbraw/zinc/67/21/58/1287672158.db2.gz SDWCETOMVVVYDP-OAHLLOKOSA-N 2 1 325.456 2.579 20 30 EFEDMP C#CCN(C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672216 /nfs/dbraw/zinc/67/22/16/1287672216.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 2 1 327.516 2.974 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672217 /nfs/dbraw/zinc/67/22/17/1287672217.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 3 1 327.516 2.974 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672218 /nfs/dbraw/zinc/67/22/18/1287672218.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 3 1 327.516 2.974 20 30 EFEDMP C#CC[NH+](C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672220 /nfs/dbraw/zinc/67/22/20/1287672220.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 3 1 327.516 2.974 20 30 EFEDMP C#CC[NH+](C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672221 /nfs/dbraw/zinc/67/22/21/1287672221.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 3 1 327.516 2.974 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834389 1284145953 /nfs/dbraw/zinc/14/59/53/1284145953.db2.gz JJZDSJJQMRKCCH-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834389 1284145958 /nfs/dbraw/zinc/14/59/58/1284145958.db2.gz JJZDSJJQMRKCCH-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836512 1284155213 /nfs/dbraw/zinc/15/52/13/1284155213.db2.gz RPOMQROQWGIIIN-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859931 1284338660 /nfs/dbraw/zinc/33/86/60/1284338660.db2.gz XXRUINQCAOFYEP-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871755 1284429235 /nfs/dbraw/zinc/42/92/35/1284429235.db2.gz PWWMQGJPCQVDMT-AEFFLSMTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871755 1284429237 /nfs/dbraw/zinc/42/92/37/1284429237.db2.gz PWWMQGJPCQVDMT-AEFFLSMTSA-N 2 1 342.487 2.650 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176112605 1287714654 /nfs/dbraw/zinc/71/46/54/1287714654.db2.gz WTVFUCOMKCMENC-RTBURBONSA-N 2 1 335.536 2.929 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176112766 1287715695 /nfs/dbraw/zinc/71/56/95/1287715695.db2.gz ZHZSVNOFQCGMJM-RBUKOAKNSA-N 2 1 335.536 2.929 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941929 1284497360 /nfs/dbraw/zinc/49/73/60/1284497360.db2.gz SPAHPOPAUDKANE-ZWKOTPCHSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011373 1284653827 /nfs/dbraw/zinc/65/38/27/1284653827.db2.gz JAIRYHMTISVKMN-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC)CC1 ZINC001110152496 1284674845 /nfs/dbraw/zinc/67/48/45/1284674845.db2.gz XKGIUJWGAVWVEP-AABGKKOBSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117355 1284823099 /nfs/dbraw/zinc/82/30/99/1284823099.db2.gz JPGZBSZZJACEED-GOEBONIOSA-N 2 1 341.927 2.545 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147383 1284900570 /nfs/dbraw/zinc/90/05/70/1284900570.db2.gz SEUHPCDDDGPGGT-SJORKVTESA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133256066 1285095732 /nfs/dbraw/zinc/09/57/32/1285095732.db2.gz ZQDAHSHZINZPHG-GDBMZVCRSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133256067 1285096047 /nfs/dbraw/zinc/09/60/47/1285096047.db2.gz ZQDAHSHZINZPHG-GOEBONIOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453287 1285125357 /nfs/dbraw/zinc/12/53/57/1285125357.db2.gz RGQJOMIEALUUDX-UYAOXDASSA-N 2 1 338.455 2.803 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361030 1285259726 /nfs/dbraw/zinc/25/97/26/1285259726.db2.gz RKGKBRSGBNIKEE-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361030 1285259735 /nfs/dbraw/zinc/25/97/35/1285259735.db2.gz RKGKBRSGBNIKEE-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562333 1285315994 /nfs/dbraw/zinc/31/59/94/1285315994.db2.gz UKKUFRUMLMSDST-UYAOXDASSA-N 2 1 342.487 2.698 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562333 1285316006 /nfs/dbraw/zinc/31/60/06/1285316006.db2.gz UKKUFRUMLMSDST-UYAOXDASSA-N 2 1 342.487 2.698 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582797 1285353135 /nfs/dbraw/zinc/35/31/35/1285353135.db2.gz XOJGLRSHVKLRDC-TZIWHRDSSA-N 2 1 341.499 2.909 20 30 EFEDMP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410765 1285373821 /nfs/dbraw/zinc/37/38/21/1285373821.db2.gz ZZTLNLILIKDBCM-QGZVFWFLSA-N 2 1 349.906 2.786 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903974 1285392053 /nfs/dbraw/zinc/39/20/53/1285392053.db2.gz KEQJERDBWDYJKS-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585400 1285417706 /nfs/dbraw/zinc/41/77/06/1285417706.db2.gz VCHHUDSNZOLODV-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585400 1285417715 /nfs/dbraw/zinc/41/77/15/1285417715.db2.gz VCHHUDSNZOLODV-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585400 1285417727 /nfs/dbraw/zinc/41/77/27/1285417727.db2.gz VCHHUDSNZOLODV-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161664 1285503795 /nfs/dbraw/zinc/50/37/95/1285503795.db2.gz OVCLMUHBGSIGAY-XWSJACJDSA-N 2 1 333.520 2.795 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918645 1285904148 /nfs/dbraw/zinc/90/41/48/1285904148.db2.gz QXZBNTFXBKQLNP-GOSISDBHSA-N 2 1 335.536 2.929 20 30 EFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172308990 1286091534 /nfs/dbraw/zinc/09/15/34/1286091534.db2.gz QEAHBPPMFQXOEK-OAHLLOKOSA-N 2 1 326.444 2.619 20 30 EFEDMP C[C@H](CCCC#N)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172484796 1286146242 /nfs/dbraw/zinc/14/62/42/1286146242.db2.gz IKRPPKYOXOJRGT-MRXNPFEDSA-N 2 1 340.512 2.895 20 30 EFEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499974 1286173364 /nfs/dbraw/zinc/17/33/64/1286173364.db2.gz VWANJPZTAMZJCD-DFQSSKMNSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499974 1286173366 /nfs/dbraw/zinc/17/33/66/1286173366.db2.gz VWANJPZTAMZJCD-DFQSSKMNSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499974 1286173369 /nfs/dbraw/zinc/17/33/69/1286173369.db2.gz VWANJPZTAMZJCD-DFQSSKMNSA-N 2 1 342.487 2.687 20 30 EFEDMP C=CCOC1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001173316458 1286536303 /nfs/dbraw/zinc/53/63/03/1286536303.db2.gz KOTJRPHYYKNIQE-UHFFFAOYSA-N 3 1 325.541 2.976 20 30 EFEDMP CCN1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173360104 1286547338 /nfs/dbraw/zinc/54/73/38/1286547338.db2.gz XKQVSGUWZVRFTI-VAMGGRTRSA-N 2 1 326.488 2.724 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772757 1287169685 /nfs/dbraw/zinc/16/96/85/1287169685.db2.gz HJQWLZDMYBWAIL-MSOLQXFVSA-N 2 1 343.515 2.641 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773998 1287171825 /nfs/dbraw/zinc/17/18/25/1287171825.db2.gz TZOYBOVPDAKKBB-HOTGVXAUSA-N 2 1 344.503 2.661 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279662 1287920870 /nfs/dbraw/zinc/92/08/70/1287920870.db2.gz PBEVJHARKCZQRL-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284390 1287922918 /nfs/dbraw/zinc/92/29/18/1287922918.db2.gz FQMPHSQXBUPJSZ-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759844 1288122667 /nfs/dbraw/zinc/12/26/67/1288122667.db2.gz MFTLWSYZOHFHPJ-MJGOQNOKSA-N 2 1 329.488 2.577 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759330 1288122708 /nfs/dbraw/zinc/12/27/08/1288122708.db2.gz JAOPKUMJJMMBJB-HKUYNNGSSA-N 2 1 329.488 2.577 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760167 1288122821 /nfs/dbraw/zinc/12/28/21/1288122821.db2.gz QWRXDZQTWDYJOD-HZPDHXFCSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583557 1288138027 /nfs/dbraw/zinc/13/80/27/1288138027.db2.gz AHNAGRQMNBPRHH-KGLIPLIRSA-N 2 1 326.872 2.632 20 30 EFEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691438 1288268608 /nfs/dbraw/zinc/26/86/08/1288268608.db2.gz URPYOLDRASFVGR-MSOLQXFVSA-N 2 1 341.540 2.574 20 30 EFEDMP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692035 1288278733 /nfs/dbraw/zinc/27/87/33/1288278733.db2.gz CWJYMORUPFAICF-QZTJIDSGSA-N 2 1 341.540 2.552 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785654 1288367971 /nfs/dbraw/zinc/36/79/71/1288367971.db2.gz ZWDFXKFQYJOKSR-HZPDHXFCSA-N 2 1 341.459 2.720 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784737 1288368007 /nfs/dbraw/zinc/36/80/07/1288368007.db2.gz MBJOTHNVUHPPLY-HOTGVXAUSA-N 2 1 341.459 2.720 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001177339588 1288398937 /nfs/dbraw/zinc/39/89/37/1288398937.db2.gz LHYACCOXULESHP-FQEVSTJZSA-N 2 1 347.547 2.596 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177352841 1288414926 /nfs/dbraw/zinc/41/49/26/1288414926.db2.gz ODSKREPBBJBLTI-UHFFFAOYSA-N 2 1 335.536 2.739 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416249 1288424712 /nfs/dbraw/zinc/42/47/12/1288424712.db2.gz XMMBDUDNESPUNS-MJGOQNOKSA-N 2 1 335.536 2.759 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001177437068 1288440509 /nfs/dbraw/zinc/44/05/09/1288440509.db2.gz LKUDJGXNDSUNDP-QGZVFWFLSA-N 2 1 344.503 2.610 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178467917 1288794864 /nfs/dbraw/zinc/79/48/64/1288794864.db2.gz LABZNWQZTSUVNY-INIZCTEOSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178523428 1288806393 /nfs/dbraw/zinc/80/63/93/1288806393.db2.gz ZAUQAHAOSOGZQF-JKSUJKDBSA-N 2 1 329.916 2.735 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178528401 1288807336 /nfs/dbraw/zinc/80/73/36/1288807336.db2.gz XZUXUNQHXVFRJF-QGZVFWFLSA-N 2 1 332.492 2.686 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)CCC=C ZINC001178722873 1288867791 /nfs/dbraw/zinc/86/77/91/1288867791.db2.gz RWRBJAXDYQOLAY-MOPGFXCFSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)CCC=C ZINC001178722873 1288867799 /nfs/dbraw/zinc/86/77/99/1288867799.db2.gz RWRBJAXDYQOLAY-MOPGFXCFSA-N 2 1 333.520 2.705 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178722678 1288868084 /nfs/dbraw/zinc/86/80/84/1288868084.db2.gz NCAHBYQGJRHVSY-IBGZPJMESA-N 2 1 335.536 2.786 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178722678 1288868090 /nfs/dbraw/zinc/86/80/90/1288868090.db2.gz NCAHBYQGJRHVSY-IBGZPJMESA-N 2 1 335.536 2.786 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178689489 1288871797 /nfs/dbraw/zinc/87/17/97/1288871797.db2.gz ZGPSCVBOOPRORL-KRWDZBQOSA-N 2 1 343.943 2.983 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539340 1289183592 /nfs/dbraw/zinc/18/35/92/1289183592.db2.gz VKKVCJFMOJNULK-TXPKVOOTSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001179589801 1289191279 /nfs/dbraw/zinc/19/12/79/1289191279.db2.gz BNTBJEPPFOFBTK-UHFFFAOYSA-N 2 1 348.491 2.726 20 30 EFEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585057 1289202998 /nfs/dbraw/zinc/20/29/98/1289202998.db2.gz BKNPEKWGJKBAHQ-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179742411 1289237569 /nfs/dbraw/zinc/23/75/69/1289237569.db2.gz WVFCGJOWZIHLQV-UHFFFAOYSA-N 2 1 332.492 2.686 20 30 EFEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369586 1289516293 /nfs/dbraw/zinc/51/62/93/1289516293.db2.gz MOXBQRYVSQZJJN-UHFFFAOYSA-N 2 1 348.329 2.501 20 30 EFEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410967 1290340448 /nfs/dbraw/zinc/34/04/48/1290340448.db2.gz ULRUQMGXLSNYCI-QWFCFKBJSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517095 1290353246 /nfs/dbraw/zinc/35/32/46/1290353246.db2.gz OQRUDKZKMQQJHW-SLYNCCJLSA-N 2 1 343.515 2.940 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184682250 1290499233 /nfs/dbraw/zinc/49/92/33/1290499233.db2.gz CEGIUXJFLSBAQC-QZTJIDSGSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(Cc3cncn3C)C2=O)CC1 ZINC001273491123 1290511507 /nfs/dbraw/zinc/51/15/07/1290511507.db2.gz BTELTPNWCUIYOD-IBGZPJMESA-N 2 1 330.476 2.591 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000876709439 1290986912 /nfs/dbraw/zinc/98/69/12/1290986912.db2.gz RGSKVQFZRWLKIS-UONOGXRCSA-N 2 1 330.259 2.529 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776470 1291019300 /nfs/dbraw/zinc/01/93/00/1291019300.db2.gz NXHCDPDIJLCZQU-MSOLQXFVSA-N 2 1 349.906 2.827 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569052 1291411231 /nfs/dbraw/zinc/41/12/31/1291411231.db2.gz YLDVNHOOYGGXQE-TXPKVOOTSA-N 2 1 338.455 2.835 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517170 1291698375 /nfs/dbraw/zinc/69/83/75/1291698375.db2.gz LHVROZMSBCBLTE-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568286 1291780551 /nfs/dbraw/zinc/78/05/51/1291780551.db2.gz GUHYSQOGLFBONE-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611741 1312881029 /nfs/dbraw/zinc/88/10/29/1312881029.db2.gz FSRBFKLECKKBRD-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603283 1291854985 /nfs/dbraw/zinc/85/49/85/1291854985.db2.gz QAGWBVCHECKCDC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603214 1291855960 /nfs/dbraw/zinc/85/59/60/1291855960.db2.gz OKXDVONYGIVSLR-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001189941826 1291942529 /nfs/dbraw/zinc/94/25/29/1291942529.db2.gz DUZGRHGVWQSAAO-FUHWJXTLSA-N 2 1 332.492 2.764 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647443 1291959924 /nfs/dbraw/zinc/95/99/24/1291959924.db2.gz IHBISQKLNJRSHE-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176698 1292044237 /nfs/dbraw/zinc/04/42/37/1292044237.db2.gz OOPJZDDDUYRGAM-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190176698 1292044243 /nfs/dbraw/zinc/04/42/43/1292044243.db2.gz OOPJZDDDUYRGAM-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190176698 1292044255 /nfs/dbraw/zinc/04/42/55/1292044255.db2.gz OOPJZDDDUYRGAM-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473579 1312900344 /nfs/dbraw/zinc/90/03/44/1312900344.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473579 1312900348 /nfs/dbraw/zinc/90/03/48/1312900348.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473579 1312900352 /nfs/dbraw/zinc/90/03/52/1312900352.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473578 1312900690 /nfs/dbraw/zinc/90/06/90/1312900690.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473578 1312900693 /nfs/dbraw/zinc/90/06/93/1312900693.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473578 1312900696 /nfs/dbraw/zinc/90/06/96/1312900696.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247078 1292078561 /nfs/dbraw/zinc/07/85/61/1292078561.db2.gz KJSQGCZVSYIXGY-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247078 1292078572 /nfs/dbraw/zinc/07/85/72/1292078572.db2.gz KJSQGCZVSYIXGY-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247078 1292078581 /nfs/dbraw/zinc/07/85/81/1292078581.db2.gz KJSQGCZVSYIXGY-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016653757 1312905992 /nfs/dbraw/zinc/90/59/92/1312905992.db2.gz BLLHXOHPNRSEEZ-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478503 1312907049 /nfs/dbraw/zinc/90/70/49/1312907049.db2.gz PBIIZTWSGNABFU-ROUUACIJSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049479899 1312908959 /nfs/dbraw/zinc/90/89/59/1312908959.db2.gz CNMXWQRLEXXNIH-WJFTUGDTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479899 1312908961 /nfs/dbraw/zinc/90/89/61/1312908961.db2.gz CNMXWQRLEXXNIH-WJFTUGDTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479899 1312908965 /nfs/dbraw/zinc/90/89/65/1312908965.db2.gz CNMXWQRLEXXNIH-WJFTUGDTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451046 1312927486 /nfs/dbraw/zinc/92/74/86/1312927486.db2.gz HUINETHUMIDDHA-IRXDYDNUSA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467684 1312930976 /nfs/dbraw/zinc/93/09/76/1312930976.db2.gz DHCWCHHIENMCOL-DLBZAZTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203492970 1312938511 /nfs/dbraw/zinc/93/85/11/1312938511.db2.gz PJADOHIFFAZLDH-IAGOWNOFSA-N 2 1 330.476 2.565 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509453 1312942316 /nfs/dbraw/zinc/94/23/16/1312942316.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509453 1312942319 /nfs/dbraw/zinc/94/23/19/1312942319.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509453 1312942321 /nfs/dbraw/zinc/94/23/21/1312942321.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947262 1292724226 /nfs/dbraw/zinc/72/42/26/1292724226.db2.gz HSNDFTUASKQPLQ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947262 1292724229 /nfs/dbraw/zinc/72/42/29/1292724229.db2.gz HSNDFTUASKQPLQ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947262 1292724236 /nfs/dbraw/zinc/72/42/36/1292724236.db2.gz HSNDFTUASKQPLQ-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513365 1312948360 /nfs/dbraw/zinc/94/83/60/1312948360.db2.gz VDVFELYKTHUEFU-HZPDHXFCSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513365 1312948367 /nfs/dbraw/zinc/94/83/67/1312948367.db2.gz VDVFELYKTHUEFU-HZPDHXFCSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049519705 1312958511 /nfs/dbraw/zinc/95/85/11/1312958511.db2.gz AQIVFLGILBCQOJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519705 1312958512 /nfs/dbraw/zinc/95/85/12/1312958512.db2.gz AQIVFLGILBCQOJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519705 1312958514 /nfs/dbraw/zinc/95/85/14/1312958514.db2.gz AQIVFLGILBCQOJ-GUDVDZBRSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903888 1292923759 /nfs/dbraw/zinc/92/37/59/1292923759.db2.gz QFYHABJYBQYZAN-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903888 1292923766 /nfs/dbraw/zinc/92/37/66/1292923766.db2.gz QFYHABJYBQYZAN-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903888 1292923770 /nfs/dbraw/zinc/92/37/70/1292923770.db2.gz QFYHABJYBQYZAN-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844764 1293079320 /nfs/dbraw/zinc/07/93/20/1293079320.db2.gz ATHVKDDTZHATOI-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924315 1293111529 /nfs/dbraw/zinc/11/15/29/1293111529.db2.gz YNRHGALXTAVYLT-JKSUJKDBSA-N 2 1 329.916 2.638 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924315 1293111532 /nfs/dbraw/zinc/11/15/32/1293111532.db2.gz YNRHGALXTAVYLT-JKSUJKDBSA-N 2 1 329.916 2.638 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016789003 1312980840 /nfs/dbraw/zinc/98/08/40/1312980840.db2.gz FYSOBVHRZPGIRC-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016789004 1312980923 /nfs/dbraw/zinc/98/09/23/1312980923.db2.gz FYSOBVHRZPGIRC-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016789006 1312981194 /nfs/dbraw/zinc/98/11/94/1312981194.db2.gz FYSOBVHRZPGIRC-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408517 1293294661 /nfs/dbraw/zinc/29/46/61/1293294661.db2.gz LWNNUPWUKHPTDE-QUCCMNQESA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423922 1293302967 /nfs/dbraw/zinc/30/29/67/1293302967.db2.gz HSLKSLSMWHBLRS-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423922 1293302975 /nfs/dbraw/zinc/30/29/75/1293302975.db2.gz HSLKSLSMWHBLRS-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423922 1293302981 /nfs/dbraw/zinc/30/29/81/1293302981.db2.gz HSLKSLSMWHBLRS-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730231 1313000332 /nfs/dbraw/zinc/00/03/32/1313000332.db2.gz KAKGJDZRBNNGCX-ROUUACIJSA-N 2 1 344.503 2.955 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCC=C)C2)CC1 ZINC001194245999 1293568596 /nfs/dbraw/zinc/56/85/96/1293568596.db2.gz IQHYURVQKDOUCY-HXUWFJFHSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245971 1293568690 /nfs/dbraw/zinc/56/86/90/1293568690.db2.gz HUVAGHHXKZWAQQ-GOSISDBHSA-N 2 1 329.488 2.861 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C/CCC)C2)CC1 ZINC001194246544 1293569398 /nfs/dbraw/zinc/56/93/98/1293569398.db2.gz OMBCGWZOEQYMTA-AQKVLALTSA-N 2 1 345.531 2.611 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016859807 1313014610 /nfs/dbraw/zinc/01/46/10/1313014610.db2.gz NQSMOQQWVAWFQA-MRXNPFEDSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862001 1313015514 /nfs/dbraw/zinc/01/55/14/1313015514.db2.gz RLOWQKUMUXIXOY-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448618 1293645366 /nfs/dbraw/zinc/64/53/66/1293645366.db2.gz IIFZKCPYIPRCCJ-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448618 1293645371 /nfs/dbraw/zinc/64/53/71/1293645371.db2.gz IIFZKCPYIPRCCJ-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448618 1293645376 /nfs/dbraw/zinc/64/53/76/1293645376.db2.gz IIFZKCPYIPRCCJ-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448618 1293645379 /nfs/dbraw/zinc/64/53/79/1293645379.db2.gz IIFZKCPYIPRCCJ-LJQANCHMSA-N 2 1 329.488 2.617 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813903 1313022131 /nfs/dbraw/zinc/02/21/31/1313022131.db2.gz FZZWQMZKAPUAJO-MOPGFXCFSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813903 1313022135 /nfs/dbraw/zinc/02/21/35/1313022135.db2.gz FZZWQMZKAPUAJO-MOPGFXCFSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568774 1313030258 /nfs/dbraw/zinc/03/02/58/1313030258.db2.gz WKFKKJMFFYSJNM-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775649999 1293905282 /nfs/dbraw/zinc/90/52/82/1293905282.db2.gz WEVLTDWZQIFSCU-UHFFFAOYSA-N 2 1 334.467 2.942 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924775 1313044998 /nfs/dbraw/zinc/04/49/98/1313044998.db2.gz YWNWLJBXYAZZAT-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873813 1294066765 /nfs/dbraw/zinc/06/67/65/1294066765.db2.gz MXKONZATSRNZSQ-IBGZPJMESA-N 2 1 333.520 2.609 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCCCC)CC1 ZINC001196191592 1294150940 /nfs/dbraw/zinc/15/09/40/1294150940.db2.gz IQTWQPVWAWHUTL-IBGZPJMESA-N 2 1 333.520 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCCCC)CC1 ZINC001196191592 1294150938 /nfs/dbraw/zinc/15/09/38/1294150938.db2.gz IQTWQPVWAWHUTL-IBGZPJMESA-N 2 1 333.520 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCCC)CC1 ZINC001196191592 1294150946 /nfs/dbraw/zinc/15/09/46/1294150946.db2.gz IQTWQPVWAWHUTL-IBGZPJMESA-N 2 1 333.520 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCCC)CC1 ZINC001196191592 1294150949 /nfs/dbraw/zinc/15/09/49/1294150949.db2.gz IQTWQPVWAWHUTL-IBGZPJMESA-N 2 1 333.520 2.589 20 30 EFEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001196918432 1294399955 /nfs/dbraw/zinc/39/99/55/1294399955.db2.gz QURKANYFVSSNBP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196918432 1294399958 /nfs/dbraw/zinc/39/99/58/1294399958.db2.gz QURKANYFVSSNBP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196918432 1294399962 /nfs/dbraw/zinc/39/99/62/1294399962.db2.gz QURKANYFVSSNBP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303707371 1294563118 /nfs/dbraw/zinc/56/31/18/1294563118.db2.gz MGJRZCHWLDQIGU-QFBILLFUSA-N 2 1 344.503 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774868 1294578131 /nfs/dbraw/zinc/57/81/31/1294578131.db2.gz GGPLLHQVDBPJGE-ZWKOTPCHSA-N 2 1 331.508 2.512 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)c1 ZINC000303780264 1294579821 /nfs/dbraw/zinc/57/98/21/1294579821.db2.gz LFWAHNUGVZZEOY-GOSISDBHSA-N 2 1 330.476 2.537 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)c1 ZINC000303788116 1294581687 /nfs/dbraw/zinc/58/16/87/1294581687.db2.gz TWYLLJJUCWLERE-GOSISDBHSA-N 2 1 332.492 2.783 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000303792122 1294583379 /nfs/dbraw/zinc/58/33/79/1294583379.db2.gz YCXCADMIAGFROJ-SJLPKXTDSA-N 2 1 344.503 2.879 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864957 1294592032 /nfs/dbraw/zinc/59/20/32/1294592032.db2.gz BKGHRNIAMPFPOX-QGZVFWFLSA-N 2 1 332.492 2.610 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303881280 1294596584 /nfs/dbraw/zinc/59/65/84/1294596584.db2.gz KSDSZYVPZNWMST-CQSZACIVSA-N 2 1 348.491 2.941 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC000303893011 1294599926 /nfs/dbraw/zinc/59/99/26/1294599926.db2.gz NZHDDPJUCHFZMF-KGLIPLIRSA-N 2 1 334.464 2.693 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000303893751 1294600034 /nfs/dbraw/zinc/60/00/34/1294600034.db2.gz OKQRFOCDYGNSDC-KRWDZBQOSA-N 2 1 346.519 2.749 20 30 EFEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303898997 1294601454 /nfs/dbraw/zinc/60/14/54/1294601454.db2.gz VWEMUPHQXFBFFO-MJGOQNOKSA-N 2 1 328.504 2.598 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615586 1313089671 /nfs/dbraw/zinc/08/96/71/1313089671.db2.gz LVBHONLXDKCDFK-IPMKNSEASA-N 2 1 331.504 2.502 20 30 EFEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001197964302 1294814478 /nfs/dbraw/zinc/81/44/78/1294814478.db2.gz OKKXWSWGTKZDQO-FQEVSTJZSA-N 2 1 335.536 2.977 20 30 EFEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001197964302 1294814488 /nfs/dbraw/zinc/81/44/88/1294814488.db2.gz OKKXWSWGTKZDQO-FQEVSTJZSA-N 2 1 335.536 2.977 20 30 EFEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001197964302 1294814495 /nfs/dbraw/zinc/81/44/95/1294814495.db2.gz OKKXWSWGTKZDQO-FQEVSTJZSA-N 2 1 335.536 2.977 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258713 1294959549 /nfs/dbraw/zinc/95/95/49/1294959549.db2.gz BQEMJVZWPLLUIF-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258713 1294959562 /nfs/dbraw/zinc/95/95/62/1294959562.db2.gz BQEMJVZWPLLUIF-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234414006 1313123184 /nfs/dbraw/zinc/12/31/84/1313123184.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234414006 1313123188 /nfs/dbraw/zinc/12/31/88/1313123188.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234414006 1313123191 /nfs/dbraw/zinc/12/31/91/1313123191.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234414007 1313123451 /nfs/dbraw/zinc/12/34/51/1313123451.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234414007 1313123455 /nfs/dbraw/zinc/12/34/55/1313123455.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234414007 1313123458 /nfs/dbraw/zinc/12/34/58/1313123458.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276457663 1313128204 /nfs/dbraw/zinc/12/82/04/1313128204.db2.gz RWTZJTMQZPBRIC-FWEDTRJPSA-N 2 1 337.552 2.850 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616562 1295148578 /nfs/dbraw/zinc/14/85/78/1295148578.db2.gz IUBNJOARYQDPHH-ROUUACIJSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616561 1295148955 /nfs/dbraw/zinc/14/89/55/1295148955.db2.gz IUBNJOARYQDPHH-QZTJIDSGSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774738 1295245247 /nfs/dbraw/zinc/24/52/47/1295245247.db2.gz ADUOVIBGQDSLPB-KRWDZBQOSA-N 2 1 347.503 2.749 20 30 EFEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198776767 1295247252 /nfs/dbraw/zinc/24/72/52/1295247252.db2.gz UFWUFGUJFKOEPF-ROUUACIJSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCCC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953552 1295352811 /nfs/dbraw/zinc/35/28/11/1295352811.db2.gz PWDPQNUWKUNRRR-SFHVURJKSA-N 2 1 347.503 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049665260 1313156596 /nfs/dbraw/zinc/15/65/96/1313156596.db2.gz UUDOPLCWCVZLIV-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049665260 1313156600 /nfs/dbraw/zinc/15/66/00/1313156600.db2.gz UUDOPLCWCVZLIV-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049665260 1313156603 /nfs/dbraw/zinc/15/66/03/1313156603.db2.gz UUDOPLCWCVZLIV-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049665284 1313157245 /nfs/dbraw/zinc/15/72/45/1313157245.db2.gz UUDOPLCWCVZLIV-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049665284 1313157248 /nfs/dbraw/zinc/15/72/48/1313157248.db2.gz UUDOPLCWCVZLIV-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049665284 1313157260 /nfs/dbraw/zinc/15/72/60/1313157260.db2.gz UUDOPLCWCVZLIV-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049665276 1313157746 /nfs/dbraw/zinc/15/77/46/1313157746.db2.gz UUDOPLCWCVZLIV-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049665276 1313157750 /nfs/dbraw/zinc/15/77/50/1313157750.db2.gz UUDOPLCWCVZLIV-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049665276 1313157752 /nfs/dbraw/zinc/15/77/52/1313157752.db2.gz UUDOPLCWCVZLIV-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049670760 1313162451 /nfs/dbraw/zinc/16/24/51/1313162451.db2.gz GPYPKJPOOVERNQ-NXOAAHMSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670760 1313162453 /nfs/dbraw/zinc/16/24/53/1313162453.db2.gz GPYPKJPOOVERNQ-NXOAAHMSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670760 1313162455 /nfs/dbraw/zinc/16/24/55/1313162455.db2.gz GPYPKJPOOVERNQ-NXOAAHMSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670760 1313162457 /nfs/dbraw/zinc/16/24/57/1313162457.db2.gz GPYPKJPOOVERNQ-NXOAAHMSSA-N 2 1 339.911 2.535 20 30 EFEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304479263 1295639989 /nfs/dbraw/zinc/63/99/89/1295639989.db2.gz HXCCMUPKGSRTBQ-UHFFFAOYSA-N 2 1 346.397 2.721 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676049 1313170560 /nfs/dbraw/zinc/17/05/60/1313170560.db2.gz KNLABDUNOUJIRY-IAGOWNOFSA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676049 1313170561 /nfs/dbraw/zinc/17/05/61/1313170561.db2.gz KNLABDUNOUJIRY-IAGOWNOFSA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677555 1313171981 /nfs/dbraw/zinc/17/19/81/1313171981.db2.gz UURJROMBQWJABJ-DLBZAZTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677555 1313171983 /nfs/dbraw/zinc/17/19/83/1313171983.db2.gz UURJROMBQWJABJ-DLBZAZTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642115 1313176110 /nfs/dbraw/zinc/17/61/10/1313176110.db2.gz HFWIIYJYXLOVPR-QZTJIDSGSA-N 2 1 341.515 2.945 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304741030 1295746265 /nfs/dbraw/zinc/74/62/65/1295746265.db2.gz BZNRJVOGRWRVRP-HNNXBMFYSA-N 2 1 332.492 2.506 20 30 EFEDMP CCc1cccc2c(CCNC(=[NH2+])NC[C@H]3CCC[N@@H+]3CC)c[nH]c21 ZINC000304740484 1295747141 /nfs/dbraw/zinc/74/71/41/1295747141.db2.gz BQNYIJRYKHVLEM-QGZVFWFLSA-N 2 1 341.503 2.661 20 30 EFEDMP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1C ZINC000304757004 1295749959 /nfs/dbraw/zinc/74/99/59/1295749959.db2.gz OIYOUFHNOMBZFV-IAGOWNOFSA-N 2 1 332.492 2.541 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006320 1295835216 /nfs/dbraw/zinc/83/52/16/1295835216.db2.gz PLPVVPBDISXHAL-SFHVURJKSA-N 2 1 328.504 2.788 20 30 EFEDMP CC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277889438 1313191216 /nfs/dbraw/zinc/19/12/16/1313191216.db2.gz PQBZTQXTMRZXRV-MRXNPFEDSA-N 2 1 342.487 2.552 20 30 EFEDMP CCCCCCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275131816 1296235768 /nfs/dbraw/zinc/23/57/68/1296235768.db2.gz JLFSGYFFBURVQF-OALUTQOASA-N 2 1 325.541 2.684 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750976 1313253798 /nfs/dbraw/zinc/25/37/98/1313253798.db2.gz AURKYSPLLJUVLY-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750976 1313253802 /nfs/dbraw/zinc/25/38/02/1313253802.db2.gz AURKYSPLLJUVLY-DLBZAZTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053849 1296567028 /nfs/dbraw/zinc/56/70/28/1296567028.db2.gz ZFDZLEKOKYKVNX-RDJZCZTQSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767106 1313277071 /nfs/dbraw/zinc/27/70/71/1313277071.db2.gz NNVXLKFUZKMTCF-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419508 1313285073 /nfs/dbraw/zinc/28/50/73/1313285073.db2.gz OJAOUYMDTDUZGJ-ZWKOTPCHSA-N 2 1 347.478 2.626 20 30 EFEDMP C=CCCCC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001235326503 1313290403 /nfs/dbraw/zinc/29/04/03/1313290403.db2.gz ZEFRSPQLBVAPER-FXAWDEMLSA-N 2 1 334.504 2.988 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448216 1313290889 /nfs/dbraw/zinc/29/08/89/1313290889.db2.gz CXQZLFFFCWILGC-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205463966 1313294470 /nfs/dbraw/zinc/29/44/70/1313294470.db2.gz BUSBFTYZMWCWCC-LJQANCHMSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789041 1313302338 /nfs/dbraw/zinc/30/23/38/1313302338.db2.gz UYNDZQKGWYTGRZ-RBUKOAKNSA-N 2 1 327.472 2.613 20 30 EFEDMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC#N)C[C@H]3CC2)cc1 ZINC001277939455 1313300804 /nfs/dbraw/zinc/30/08/04/1313300804.db2.gz SRBKAHFNJVCEBA-KDURUIRLSA-N 2 1 340.471 2.702 20 30 EFEDMP N#CCCC[NH+]1CCC2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943072 1313314549 /nfs/dbraw/zinc/31/45/49/1313314549.db2.gz MKNCPVXOPOZQNW-UHFFFAOYSA-N 2 1 328.460 2.769 20 30 EFEDMP N#Cc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205581510 1313316766 /nfs/dbraw/zinc/31/67/66/1313316766.db2.gz UWQXVVBTQRIJNO-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594033 1313320007 /nfs/dbraw/zinc/32/00/07/1313320007.db2.gz IUCCUCCSTLBHLN-IBGZPJMESA-N 2 1 335.536 2.901 20 30 EFEDMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](CCCC#N)CC3)C2)n(C)n1 ZINC001277945227 1313321692 /nfs/dbraw/zinc/32/16/92/1313321692.db2.gz RQGZGWWIDSQILE-UHFFFAOYSA-N 2 1 329.492 2.710 20 30 EFEDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001205673501 1313335000 /nfs/dbraw/zinc/33/50/00/1313335000.db2.gz RHTSYKJLSWQFHH-JOCHJYFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235492442 1313336441 /nfs/dbraw/zinc/33/64/41/1313336441.db2.gz IDEPDMMDPGRSOM-FQEVSTJZSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235492442 1313336445 /nfs/dbraw/zinc/33/64/45/1313336445.db2.gz IDEPDMMDPGRSOM-FQEVSTJZSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818799 1313339005 /nfs/dbraw/zinc/33/90/05/1313339005.db2.gz AMKGNGUTHGDESF-RBUKOAKNSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201813603 1297095110 /nfs/dbraw/zinc/09/51/10/1297095110.db2.gz GYKLFCPZBXFKSM-UHFFFAOYSA-N 2 1 334.508 2.871 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000106244979 1297137967 /nfs/dbraw/zinc/13/79/67/1297137967.db2.gz RETFNSGZVDLARD-UHFFFAOYSA-N 2 1 347.478 2.792 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722542 1313384736 /nfs/dbraw/zinc/38/47/36/1313384736.db2.gz LJTTXLGXRFTTQC-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846576 1313380540 /nfs/dbraw/zinc/38/05/40/1313380540.db2.gz KEEBVFJUOCJZJJ-RTBURBONSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846576 1313380544 /nfs/dbraw/zinc/38/05/44/1313380544.db2.gz KEEBVFJUOCJZJJ-RTBURBONSA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022905 1313392717 /nfs/dbraw/zinc/39/27/17/1313392717.db2.gz LMRHYQKBHWDRCH-IBGZPJMESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206067183 1313400357 /nfs/dbraw/zinc/40/03/57/1313400357.db2.gz FYFWNQRPPOSOJY-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073412 1313437469 /nfs/dbraw/zinc/43/74/69/1313437469.db2.gz MTSZLLGAMCHEBK-QHCPKHFHSA-N 2 1 345.490 2.694 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439780 1298009746 /nfs/dbraw/zinc/00/97/46/1298009746.db2.gz VMOSRRQCIHGWDB-IEBWSBKVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439780 1298009761 /nfs/dbraw/zinc/00/97/61/1298009761.db2.gz VMOSRRQCIHGWDB-IEBWSBKVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439780 1298009769 /nfs/dbraw/zinc/00/97/69/1298009769.db2.gz VMOSRRQCIHGWDB-IEBWSBKVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445045 1313455063 /nfs/dbraw/zinc/45/50/63/1313455063.db2.gz KMWRJJHUVPBUOL-UHFFFAOYSA-N 2 1 338.883 2.587 20 30 EFEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000948919618 1298088918 /nfs/dbraw/zinc/08/89/18/1298088918.db2.gz MGGOVADVRYSLBT-XUVXKRRUSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000948919618 1298088926 /nfs/dbraw/zinc/08/89/26/1298088926.db2.gz MGGOVADVRYSLBT-XUVXKRRUSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000948919618 1298088936 /nfs/dbraw/zinc/08/89/36/1298088936.db2.gz MGGOVADVRYSLBT-XUVXKRRUSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000948919618 1298088946 /nfs/dbraw/zinc/08/89/46/1298088946.db2.gz MGGOVADVRYSLBT-XUVXKRRUSA-N 2 1 341.499 2.618 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907220 1313466651 /nfs/dbraw/zinc/46/66/51/1313466651.db2.gz BMYUDBISGYOSTM-RBUKOAKNSA-N 2 1 327.472 2.613 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236316352 1313468276 /nfs/dbraw/zinc/46/82/76/1313468276.db2.gz RKSBICPZVYWGTQ-OKILXGFUSA-N 2 1 334.261 2.752 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549082 1313474249 /nfs/dbraw/zinc/47/42/49/1313474249.db2.gz UKFQMYONVOZBBI-IRXDYDNUSA-N 2 1 339.911 2.584 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049915164 1313479002 /nfs/dbraw/zinc/47/90/02/1313479002.db2.gz TXOWJUUPLXXXRT-AQNXPRMDSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903954795 1313479423 /nfs/dbraw/zinc/47/94/23/1313479423.db2.gz WDKSBBHPQPHFPY-AWEZNQCLSA-N 2 1 326.387 2.594 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915425 1313479434 /nfs/dbraw/zinc/47/94/34/1313479434.db2.gz VUGHOWHALHQCHF-GUDVDZBRSA-N 2 1 327.472 2.541 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915425 1313479436 /nfs/dbraw/zinc/47/94/36/1313479436.db2.gz VUGHOWHALHQCHF-GUDVDZBRSA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180413 1298256271 /nfs/dbraw/zinc/25/62/71/1298256271.db2.gz GVZUDQUVGBTLKN-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181345 1298259079 /nfs/dbraw/zinc/25/90/79/1298259079.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181345 1298259087 /nfs/dbraw/zinc/25/90/87/1298259087.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181345 1298259095 /nfs/dbraw/zinc/25/90/95/1298259095.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182322 1298263364 /nfs/dbraw/zinc/26/33/64/1298263364.db2.gz LDQVSGVTQAMCTG-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182319 1298263932 /nfs/dbraw/zinc/26/39/32/1298263932.db2.gz LDQVSGVTQAMCTG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189199 1298275216 /nfs/dbraw/zinc/27/52/16/1298275216.db2.gz YKLNGVGRVNAGRF-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049922095 1313487623 /nfs/dbraw/zinc/48/76/23/1313487623.db2.gz YCALJONJDMAYQD-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049922079 1313487737 /nfs/dbraw/zinc/48/77/37/1313487737.db2.gz YCALJONJDMAYQD-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197350 1298296771 /nfs/dbraw/zinc/29/67/71/1298296771.db2.gz NOZRLQINPJLQEW-RTBURBONSA-N 2 1 345.531 2.609 20 30 EFEDMP N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001206684114 1313491295 /nfs/dbraw/zinc/49/12/95/1313491295.db2.gz OPIDWTFBKIDJKW-UHFFFAOYSA-N 2 1 347.462 2.949 20 30 EFEDMP N#Cc1ccc2c(c1)CN(Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001206684114 1313491297 /nfs/dbraw/zinc/49/12/97/1313491297.db2.gz OPIDWTFBKIDJKW-UHFFFAOYSA-N 2 1 347.462 2.949 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224120 1298358417 /nfs/dbraw/zinc/35/84/17/1298358417.db2.gz CXPCEWBTNRZQBW-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222659 1298358626 /nfs/dbraw/zinc/35/86/26/1298358626.db2.gz SHNZJZYIHHHARF-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241601 1298399821 /nfs/dbraw/zinc/39/98/21/1298399821.db2.gz LVVADMJNRJSFPH-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241601 1298399827 /nfs/dbraw/zinc/39/98/27/1298399827.db2.gz LVVADMJNRJSFPH-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241602 1298400411 /nfs/dbraw/zinc/40/04/11/1298400411.db2.gz LVVADMJNRJSFPH-QZTJIDSGSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961241602 1298400420 /nfs/dbraw/zinc/40/04/20/1298400420.db2.gz LVVADMJNRJSFPH-QZTJIDSGSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252441 1298422891 /nfs/dbraw/zinc/42/28/91/1298422891.db2.gz OEBCNLSFENMROB-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604461 1313509014 /nfs/dbraw/zinc/50/90/14/1313509014.db2.gz JUTVKDQYPQTDLE-QYZOEREBSA-N 2 1 327.472 2.659 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289788 1298502192 /nfs/dbraw/zinc/50/21/92/1298502192.db2.gz CSESZCPOEAEXBT-PMACEKPBSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290206 1298502260 /nfs/dbraw/zinc/50/22/60/1298502260.db2.gz CSESZCPOEAEXBT-VQTJNVASSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292981 1298509616 /nfs/dbraw/zinc/50/96/16/1298509616.db2.gz LLJMWWGZDLAFFF-RTBURBONSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292978 1298510330 /nfs/dbraw/zinc/51/03/30/1298510330.db2.gz LLJMWWGZDLAFFF-MOPGFXCFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373493 1298639329 /nfs/dbraw/zinc/63/93/29/1298639329.db2.gz HISPBGLWRUHALW-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376763 1298645618 /nfs/dbraw/zinc/64/56/18/1298645618.db2.gz CPHUTOHHBVVGGB-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376763 1298645633 /nfs/dbraw/zinc/64/56/33/1298645633.db2.gz CPHUTOHHBVVGGB-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376763 1298645643 /nfs/dbraw/zinc/64/56/43/1298645643.db2.gz CPHUTOHHBVVGGB-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376407 1298645763 /nfs/dbraw/zinc/64/57/63/1298645763.db2.gz STGQXICLOKJEDI-OALUTQOASA-N 2 1 335.536 2.709 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376802 1298646656 /nfs/dbraw/zinc/64/66/56/1298646656.db2.gz DHGAEYVPDATVNP-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376802 1298646670 /nfs/dbraw/zinc/64/66/70/1298646670.db2.gz DHGAEYVPDATVNP-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376802 1298646682 /nfs/dbraw/zinc/64/66/82/1298646682.db2.gz DHGAEYVPDATVNP-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702078 /nfs/dbraw/zinc/70/20/78/1298702078.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702082 /nfs/dbraw/zinc/70/20/82/1298702082.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702091 /nfs/dbraw/zinc/70/20/91/1298702091.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708173 /nfs/dbraw/zinc/70/81/73/1298708173.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708179 /nfs/dbraw/zinc/70/81/79/1298708179.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708186 /nfs/dbraw/zinc/70/81/86/1298708186.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431284 1298738906 /nfs/dbraw/zinc/73/89/06/1298738906.db2.gz JQNXXCHGKXKEEM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431284 1298738917 /nfs/dbraw/zinc/73/89/17/1298738917.db2.gz JQNXXCHGKXKEEM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431284 1298738929 /nfs/dbraw/zinc/73/89/29/1298738929.db2.gz JQNXXCHGKXKEEM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961435356 1298744126 /nfs/dbraw/zinc/74/41/26/1298744126.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435356 1298744139 /nfs/dbraw/zinc/74/41/39/1298744139.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435356 1298744146 /nfs/dbraw/zinc/74/41/46/1298744146.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961435353 1298744680 /nfs/dbraw/zinc/74/46/80/1298744680.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435353 1298744688 /nfs/dbraw/zinc/74/46/88/1298744688.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435353 1298744694 /nfs/dbraw/zinc/74/46/94/1298744694.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C[NH+]1CCN(c2cccc(C[N@H+]3CCc4ccc(C#N)cc4C3)c2)CC1 ZINC001236887848 1313546727 /nfs/dbraw/zinc/54/67/27/1313546727.db2.gz REBLKKPZBANQGW-UHFFFAOYSA-N 2 1 346.478 2.868 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001211307319 1314472520 /nfs/dbraw/zinc/47/25/20/1314472520.db2.gz SXCVMERFRRCVKU-IEBWSBKVSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018026665 1313647861 /nfs/dbraw/zinc/64/78/61/1313647861.db2.gz NGVAPQSIEXVCGM-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207262254 1313647927 /nfs/dbraw/zinc/64/79/27/1313647927.db2.gz GLEKADLKQLZGQH-KZNAEPCWSA-N 2 1 341.515 2.849 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052148 1313660071 /nfs/dbraw/zinc/66/00/71/1313660071.db2.gz MABNWGAIPLNTPH-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018052148 1313660075 /nfs/dbraw/zinc/66/00/75/1313660075.db2.gz MABNWGAIPLNTPH-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018052148 1313660078 /nfs/dbraw/zinc/66/00/78/1313660078.db2.gz MABNWGAIPLNTPH-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664392 1300086590 /nfs/dbraw/zinc/08/65/90/1300086590.db2.gz OUBQKTOOORBZPO-KURKYZTESA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccc(OC)c2)CC1 ZINC001207434245 1313682464 /nfs/dbraw/zinc/68/24/64/1313682464.db2.gz FWKAGRZWFWLXFT-UHFFFAOYSA-N 2 1 343.515 2.529 20 30 EFEDMP N#Cc1cccc(CCC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278127408 1313686196 /nfs/dbraw/zinc/68/61/96/1313686196.db2.gz VIZZWWHIJGHBIE-UHFFFAOYSA-N 2 1 349.482 2.812 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482533 1313697237 /nfs/dbraw/zinc/69/72/37/1313697237.db2.gz NCSNIOUULBATJY-UXHICEINSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccccc2F)CC1 ZINC001207503583 1313701975 /nfs/dbraw/zinc/70/19/75/1313701975.db2.gz ZLEZFUZEVZCEQV-UHFFFAOYSA-N 2 1 331.479 2.660 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000963309730 1300566846 /nfs/dbraw/zinc/56/68/46/1300566846.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309730 1300566849 /nfs/dbraw/zinc/56/68/49/1300566849.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309730 1300566856 /nfs/dbraw/zinc/56/68/56/1300566856.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315243 1300580355 /nfs/dbraw/zinc/58/03/55/1300580355.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315243 1300580363 /nfs/dbraw/zinc/58/03/63/1300580363.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315243 1300580367 /nfs/dbraw/zinc/58/03/67/1300580367.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520923 1300587657 /nfs/dbraw/zinc/58/76/57/1300587657.db2.gz DJTPBIPYULQRRW-BWTSREIZSA-N 2 1 338.455 2.741 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114521433 1300594826 /nfs/dbraw/zinc/59/48/26/1300594826.db2.gz PXLOJMWNJKDCHE-BWTSREIZSA-N 2 1 340.471 2.965 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327501 1300611003 /nfs/dbraw/zinc/61/10/03/1300611003.db2.gz CRBSDPPOWRAHKB-PKOBYXMFSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358270 1300680749 /nfs/dbraw/zinc/68/07/49/1300680749.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358270 1300680760 /nfs/dbraw/zinc/68/07/60/1300680760.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358270 1300680766 /nfs/dbraw/zinc/68/07/66/1300680766.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358976 1300682082 /nfs/dbraw/zinc/68/20/82/1300682082.db2.gz ZOFMYQXQMADGCQ-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384996 1300742241 /nfs/dbraw/zinc/74/22/41/1300742241.db2.gz YZGZTIBBPISADT-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384998 1300743408 /nfs/dbraw/zinc/74/34/08/1300743408.db2.gz YZGZTIBBPISADT-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387965 1300750093 /nfs/dbraw/zinc/75/00/93/1300750093.db2.gz XILSAKVILXTDRN-SJORKVTESA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387965 1300750096 /nfs/dbraw/zinc/75/00/96/1300750096.db2.gz XILSAKVILXTDRN-SJORKVTESA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417623 1300810877 /nfs/dbraw/zinc/81/08/77/1300810877.db2.gz PBMXYXFJSPVYAD-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417623 1300810895 /nfs/dbraw/zinc/81/08/95/1300810895.db2.gz PBMXYXFJSPVYAD-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018315512 1313808555 /nfs/dbraw/zinc/80/85/55/1313808555.db2.gz ZNSLCKYGJTZOQG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018315512 1313808557 /nfs/dbraw/zinc/80/85/57/1313808557.db2.gz ZNSLCKYGJTZOQG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817192 1302338723 /nfs/dbraw/zinc/33/87/23/1302338723.db2.gz QWYKBHCGUZZLSH-KURKYZTESA-N 2 1 332.492 2.883 20 30 EFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817192 1302338738 /nfs/dbraw/zinc/33/87/38/1302338738.db2.gz QWYKBHCGUZZLSH-KURKYZTESA-N 2 1 332.492 2.883 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208107018 1313848623 /nfs/dbraw/zinc/84/86/23/1313848623.db2.gz IUGYSTVSHYLFAM-HXUWFJFHSA-N 2 1 349.519 2.829 20 30 EFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000119745896 1302744607 /nfs/dbraw/zinc/74/46/07/1302744607.db2.gz KCLRQLQAMKYBKS-UHFFFAOYSA-N 2 1 338.451 2.929 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192329 1313866112 /nfs/dbraw/zinc/86/61/12/1313866112.db2.gz ULYKYDMABHFRLE-UYAOXDASSA-N 2 1 336.520 2.935 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114367872 1302876722 /nfs/dbraw/zinc/87/67/22/1302876722.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001114367872 1302876736 /nfs/dbraw/zinc/87/67/36/1302876736.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001114367872 1302876753 /nfs/dbraw/zinc/87/67/53/1302876753.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 2 1 335.536 2.878 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334074 1313902379 /nfs/dbraw/zinc/90/23/79/1313902379.db2.gz FCTKKRYQHLLCLY-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933261 1303466513 /nfs/dbraw/zinc/46/65/13/1303466513.db2.gz WCZZEFPWEUZBAL-LMBQMVEXSA-N 2 1 339.911 2.630 20 30 EFEDMP CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239323293 1313926105 /nfs/dbraw/zinc/92/61/05/1313926105.db2.gz SVESDXNHAOGEBG-INIZCTEOSA-N 2 1 325.497 2.899 20 30 EFEDMP CCCCCCCCOC(=O)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239323293 1313926108 /nfs/dbraw/zinc/92/61/08/1313926108.db2.gz SVESDXNHAOGEBG-INIZCTEOSA-N 2 1 325.497 2.899 20 30 EFEDMP CCCCCCCCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239384444 1313932108 /nfs/dbraw/zinc/93/21/08/1313932108.db2.gz NHQDGJGSHNGJSZ-MRXNPFEDSA-N 2 1 340.581 2.637 20 30 EFEDMP CCCCCCCCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239384444 1313932109 /nfs/dbraw/zinc/93/21/09/1313932109.db2.gz NHQDGJGSHNGJSZ-MRXNPFEDSA-N 2 1 340.581 2.637 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1CC ZINC001037879205 1304100553 /nfs/dbraw/zinc/10/05/53/1304100553.db2.gz HJKPNQBLPXHVIB-IRXDYDNUSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](CC)CC1)CCO2 ZINC001208598594 1313972849 /nfs/dbraw/zinc/97/28/49/1313972849.db2.gz DIMCLOMXZIYFGP-VQTJNVASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208604581 1313975598 /nfs/dbraw/zinc/97/55/98/1313975598.db2.gz QVYLYEJUQAWPHH-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923004 1304761079 /nfs/dbraw/zinc/76/10/79/1304761079.db2.gz DMAHMNBMBNHUQM-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264992 1304776540 /nfs/dbraw/zinc/77/65/40/1304776540.db2.gz RQLLMORHCFPPNX-QAPCUYQASA-N 2 1 326.444 2.741 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072052 /nfs/dbraw/zinc/07/20/52/1314072052.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 2 1 337.471 2.569 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072054 /nfs/dbraw/zinc/07/20/54/1314072054.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 2 1 337.471 2.569 20 30 EFEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072058 /nfs/dbraw/zinc/07/20/58/1314072058.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 2 1 337.471 2.569 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058995 1305774597 /nfs/dbraw/zinc/77/45/97/1305774597.db2.gz NYSMTXUKNZSTTC-NVXWUHKLSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058995 1305774607 /nfs/dbraw/zinc/77/46/07/1305774607.db2.gz NYSMTXUKNZSTTC-NVXWUHKLSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209151059 1314100476 /nfs/dbraw/zinc/10/04/76/1314100476.db2.gz YTXMHIXYVUVLCO-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209151059 1314100477 /nfs/dbraw/zinc/10/04/77/1314100477.db2.gz YTXMHIXYVUVLCO-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001209162047 1314103231 /nfs/dbraw/zinc/10/32/31/1314103231.db2.gz QSAVFKKYWOFKNF-UHFFFAOYSA-N 2 1 329.488 2.962 20 30 EFEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001209202779 1314115326 /nfs/dbraw/zinc/11/53/26/1314115326.db2.gz IQHLIDGZZBUYES-QYZOEREBSA-N 2 1 331.508 2.808 20 30 EFEDMP C=CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209202779 1314115329 /nfs/dbraw/zinc/11/53/29/1314115329.db2.gz IQHLIDGZZBUYES-QYZOEREBSA-N 2 1 331.508 2.808 20 30 EFEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209202779 1314115331 /nfs/dbraw/zinc/11/53/31/1314115331.db2.gz IQHLIDGZZBUYES-QYZOEREBSA-N 2 1 331.508 2.808 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416945 1306286897 /nfs/dbraw/zinc/28/68/97/1306286897.db2.gz BWDPWFTVRSTSMP-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516682 1306423045 /nfs/dbraw/zinc/42/30/45/1306423045.db2.gz DLBXLARVDBLALO-YLJYHZDGSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516679 1306423321 /nfs/dbraw/zinc/42/33/21/1306423321.db2.gz DLBXLARVDBLALO-FXAWDEMLSA-N 2 1 347.547 2.901 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001209264075 1314128169 /nfs/dbraw/zinc/12/81/69/1314128169.db2.gz VGMKIGHSJYQSSA-QGZVFWFLSA-N 2 1 347.528 2.859 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209264287 1314128452 /nfs/dbraw/zinc/12/84/52/1314128452.db2.gz ZPYKUTXBXHIHKH-IBGZPJMESA-N 2 1 327.472 2.550 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673210 1306556198 /nfs/dbraw/zinc/55/61/98/1306556198.db2.gz JBIRCOYYJODGHV-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687432 1306568160 /nfs/dbraw/zinc/56/81/60/1306568160.db2.gz AZEALYXZKSTFRU-AEFFLSMTSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687432 1306568163 /nfs/dbraw/zinc/56/81/63/1306568163.db2.gz AZEALYXZKSTFRU-AEFFLSMTSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690896 1306571407 /nfs/dbraw/zinc/57/14/07/1306571407.db2.gz BKGDHHLZWVREMA-RDJZCZTQSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856093 1306726319 /nfs/dbraw/zinc/72/63/19/1306726319.db2.gz DSHFBBNKHKNHMA-MOPGFXCFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887533 1306760896 /nfs/dbraw/zinc/76/08/96/1306760896.db2.gz HFRPOQLPCUKHOY-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887533 1306760901 /nfs/dbraw/zinc/76/09/01/1306760901.db2.gz HFRPOQLPCUKHOY-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887533 1306760906 /nfs/dbraw/zinc/76/09/06/1306760906.db2.gz HFRPOQLPCUKHOY-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044761617 1306781200 /nfs/dbraw/zinc/78/12/00/1306781200.db2.gz XPKOOGHKBRVDQD-LSDHHAIUSA-N 2 1 338.883 2.728 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044767235 1306786334 /nfs/dbraw/zinc/78/63/34/1306786334.db2.gz MQPPMWZSLDXKAE-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914238 1306788906 /nfs/dbraw/zinc/78/89/06/1306788906.db2.gz PWQBAUAVRKDHPA-SFHVURJKSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926127 1306806499 /nfs/dbraw/zinc/80/64/99/1306806499.db2.gz VIEMFTHRSBAFLC-INIZCTEOSA-N 2 1 348.491 2.677 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926127 1306806505 /nfs/dbraw/zinc/80/65/05/1306806505.db2.gz VIEMFTHRSBAFLC-INIZCTEOSA-N 2 1 348.491 2.677 20 30 EFEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926128 1306806574 /nfs/dbraw/zinc/80/65/74/1306806574.db2.gz VIEMFTHRSBAFLC-MRXNPFEDSA-N 2 1 348.491 2.677 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926128 1306806581 /nfs/dbraw/zinc/80/65/81/1306806581.db2.gz VIEMFTHRSBAFLC-MRXNPFEDSA-N 2 1 348.491 2.677 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001675 1306875952 /nfs/dbraw/zinc/87/59/52/1306875952.db2.gz FAUGYBMQTVAFDH-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001675 1306875956 /nfs/dbraw/zinc/87/59/56/1306875956.db2.gz FAUGYBMQTVAFDH-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002076 1306876505 /nfs/dbraw/zinc/87/65/05/1306876505.db2.gz JUFCKLGDOPMBBU-ULQDDVLXSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002076 1306876509 /nfs/dbraw/zinc/87/65/09/1306876509.db2.gz JUFCKLGDOPMBBU-ULQDDVLXSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002076 1306876513 /nfs/dbraw/zinc/87/65/13/1306876513.db2.gz JUFCKLGDOPMBBU-ULQDDVLXSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002076 1306876517 /nfs/dbraw/zinc/87/65/17/1306876517.db2.gz JUFCKLGDOPMBBU-ULQDDVLXSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969001999 1306877461 /nfs/dbraw/zinc/87/74/61/1306877461.db2.gz IEMJJOWHGIROJT-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969001999 1306877464 /nfs/dbraw/zinc/87/74/64/1306877464.db2.gz IEMJJOWHGIROJT-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969001999 1306877466 /nfs/dbraw/zinc/87/74/66/1306877466.db2.gz IEMJJOWHGIROJT-WOJBJXKFSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002077 1306877579 /nfs/dbraw/zinc/87/75/79/1306877579.db2.gz JUFCKLGDOPMBBU-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002077 1306877581 /nfs/dbraw/zinc/87/75/81/1306877581.db2.gz JUFCKLGDOPMBBU-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002077 1306877586 /nfs/dbraw/zinc/87/75/86/1306877586.db2.gz JUFCKLGDOPMBBU-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002077 1306877591 /nfs/dbraw/zinc/87/75/91/1306877591.db2.gz JUFCKLGDOPMBBU-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441635 1307341826 /nfs/dbraw/zinc/34/18/26/1307341826.db2.gz IHTPMNCODTXQBZ-GOSISDBHSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045461242 1307356362 /nfs/dbraw/zinc/35/63/62/1307356362.db2.gz UDIICEPOSWQBFD-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345497 1307381145 /nfs/dbraw/zinc/38/11/45/1307381145.db2.gz RHLAACIBGDFQMS-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007345497 1307381149 /nfs/dbraw/zinc/38/11/49/1307381149.db2.gz RHLAACIBGDFQMS-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007345497 1307381155 /nfs/dbraw/zinc/38/11/55/1307381155.db2.gz RHLAACIBGDFQMS-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345495 1307381339 /nfs/dbraw/zinc/38/13/39/1307381339.db2.gz RHLAACIBGDFQMS-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007345495 1307381344 /nfs/dbraw/zinc/38/13/44/1307381344.db2.gz RHLAACIBGDFQMS-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007345495 1307381351 /nfs/dbraw/zinc/38/13/51/1307381351.db2.gz RHLAACIBGDFQMS-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620492 1307478292 /nfs/dbraw/zinc/47/82/92/1307478292.db2.gz RVMASKGXMPEOSK-CVEARBPZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941065 1307949162 /nfs/dbraw/zinc/94/91/62/1307949162.db2.gz FMKBUASALYTYHO-PZJWPPBQSA-N 2 1 345.531 2.609 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045942467 1307953420 /nfs/dbraw/zinc/95/34/20/1307953420.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942467 1307953424 /nfs/dbraw/zinc/95/34/24/1307953424.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942467 1307953432 /nfs/dbraw/zinc/95/34/32/1307953432.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045942445 1307953698 /nfs/dbraw/zinc/95/36/98/1307953698.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942445 1307953703 /nfs/dbraw/zinc/95/37/03/1307953703.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045942445 1307953707 /nfs/dbraw/zinc/95/37/07/1307953707.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943239 1307956209 /nfs/dbraw/zinc/95/62/09/1307956209.db2.gz HDAIRENTWJUSAK-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCC)C2)C1 ZINC001045943019 1307956235 /nfs/dbraw/zinc/95/62/35/1307956235.db2.gz FEFLDYSTADIMLJ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001045943019 1307956238 /nfs/dbraw/zinc/95/62/38/1307956238.db2.gz FEFLDYSTADIMLJ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001045943019 1307956241 /nfs/dbraw/zinc/95/62/41/1307956241.db2.gz FEFLDYSTADIMLJ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001045943019 1307956243 /nfs/dbraw/zinc/95/62/43/1307956243.db2.gz FEFLDYSTADIMLJ-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945727 1307965404 /nfs/dbraw/zinc/96/54/04/1307965404.db2.gz YEOALKYVRNNVIY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945727 1307965407 /nfs/dbraw/zinc/96/54/07/1307965407.db2.gz YEOALKYVRNNVIY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945727 1307965409 /nfs/dbraw/zinc/96/54/09/1307965409.db2.gz YEOALKYVRNNVIY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950990 1307980834 /nfs/dbraw/zinc/98/08/34/1307980834.db2.gz QRBZHHRWCMTMEY-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958662 1307999815 /nfs/dbraw/zinc/99/98/15/1307999815.db2.gz VTBNHQLZPNVCKO-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960442 1308005705 /nfs/dbraw/zinc/00/57/05/1308005705.db2.gz JXPHGVPGJIGZPJ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960441 1308006641 /nfs/dbraw/zinc/00/66/41/1308006641.db2.gz JXPHGVPGJIGZPJ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045971019 1308036616 /nfs/dbraw/zinc/03/66/16/1308036616.db2.gz LBVHKXSHWVIUJK-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973850 1308044167 /nfs/dbraw/zinc/04/41/67/1308044167.db2.gz VZPLZPAEMFHEKM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982119 1308074560 /nfs/dbraw/zinc/07/45/60/1308074560.db2.gz OFLUXYVCKLQZCY-IBGZPJMESA-N 2 1 330.476 2.541 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985480 1308084865 /nfs/dbraw/zinc/08/48/65/1308084865.db2.gz VFBNRVQVSDUVGX-HXUWFJFHSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985480 1308084869 /nfs/dbraw/zinc/08/48/69/1308084869.db2.gz VFBNRVQVSDUVGX-HXUWFJFHSA-N 2 1 344.503 2.862 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045985952 1308085524 /nfs/dbraw/zinc/08/55/24/1308085524.db2.gz FLZTYJRTIOEKAC-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045985952 1308085527 /nfs/dbraw/zinc/08/55/27/1308085527.db2.gz FLZTYJRTIOEKAC-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045985952 1308085531 /nfs/dbraw/zinc/08/55/31/1308085531.db2.gz FLZTYJRTIOEKAC-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986433 1308086742 /nfs/dbraw/zinc/08/67/42/1308086742.db2.gz QPVFMGMHEZWJHE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986433 1308086745 /nfs/dbraw/zinc/08/67/45/1308086745.db2.gz QPVFMGMHEZWJHE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986433 1308086748 /nfs/dbraw/zinc/08/67/48/1308086748.db2.gz QPVFMGMHEZWJHE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986539 1308088525 /nfs/dbraw/zinc/08/85/25/1308088525.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986539 1308088530 /nfs/dbraw/zinc/08/85/30/1308088530.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986539 1308088532 /nfs/dbraw/zinc/08/85/32/1308088532.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510441 1308125137 /nfs/dbraw/zinc/12/51/37/1308125137.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008510441 1308125140 /nfs/dbraw/zinc/12/51/40/1308125140.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008510441 1308125144 /nfs/dbraw/zinc/12/51/44/1308125144.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008882929 1308311329 /nfs/dbraw/zinc/31/13/29/1308311329.db2.gz POXICXXJXURXBB-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009687272 1308608045 /nfs/dbraw/zinc/60/80/45/1308608045.db2.gz ZOIVPKJVMJUFAM-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932884 1314260716 /nfs/dbraw/zinc/26/07/16/1314260716.db2.gz WFDCSRBGYCXBMM-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101491 1308737808 /nfs/dbraw/zinc/73/78/08/1308737808.db2.gz XYVZGWOXDFCWLZ-YRXWBPOGSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703211 1314311439 /nfs/dbraw/zinc/31/14/39/1314311439.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052703211 1314311442 /nfs/dbraw/zinc/31/14/42/1314311442.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052703211 1314311446 /nfs/dbraw/zinc/31/14/46/1314311446.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708436 1314314304 /nfs/dbraw/zinc/31/43/04/1314314304.db2.gz ACEAJOZJROGSLM-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864426 1309561352 /nfs/dbraw/zinc/56/13/52/1309561352.db2.gz SOXLFUIYZVRROA-IBGZPJMESA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046934284 1309711424 /nfs/dbraw/zinc/71/14/24/1309711424.db2.gz AAPKGUNOCGKUCY-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046934284 1309711429 /nfs/dbraw/zinc/71/14/29/1309711429.db2.gz AAPKGUNOCGKUCY-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046934284 1309711432 /nfs/dbraw/zinc/71/14/32/1309711432.db2.gz AAPKGUNOCGKUCY-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046944149 1309732246 /nfs/dbraw/zinc/73/22/46/1309732246.db2.gz GHIRWGBOIDUHLN-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046944149 1309732253 /nfs/dbraw/zinc/73/22/53/1309732253.db2.gz GHIRWGBOIDUHLN-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001046946117 1309736387 /nfs/dbraw/zinc/73/63/87/1309736387.db2.gz SJXMXEYACUNNJB-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946117 1309736391 /nfs/dbraw/zinc/73/63/91/1309736391.db2.gz SJXMXEYACUNNJB-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946117 1309736396 /nfs/dbraw/zinc/73/63/96/1309736396.db2.gz SJXMXEYACUNNJB-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953911 1309757006 /nfs/dbraw/zinc/75/70/06/1309757006.db2.gz MEHTXAORONBLBO-OAHLLOKOSA-N 2 1 348.397 2.597 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046957939 1309768993 /nfs/dbraw/zinc/76/89/93/1309768993.db2.gz UJXDMTWIFQUCOY-OAHLLOKOSA-N 2 1 348.397 2.597 20 30 EFEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001046977831 1309826235 /nfs/dbraw/zinc/82/62/35/1309826235.db2.gz MRVFJKGZQQLLIK-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977831 1309826248 /nfs/dbraw/zinc/82/62/48/1309826248.db2.gz MRVFJKGZQQLLIK-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001046977831 1309826259 /nfs/dbraw/zinc/82/62/59/1309826259.db2.gz MRVFJKGZQQLLIK-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763681 1314357781 /nfs/dbraw/zinc/35/77/81/1314357781.db2.gz IXAAPHUBHRUURV-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231012 1310365251 /nfs/dbraw/zinc/36/52/51/1310365251.db2.gz JJSRKMDHTPQTQQ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231811 1310369298 /nfs/dbraw/zinc/36/92/98/1310369298.db2.gz QDLTWGSVLLXLGU-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245144 1310402515 /nfs/dbraw/zinc/40/25/15/1310402515.db2.gz XTSOWSCFQUZRJM-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047249530 1310414407 /nfs/dbraw/zinc/41/44/07/1310414407.db2.gz AKIHXYJOTNCKAI-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257016 1310432201 /nfs/dbraw/zinc/43/22/01/1310432201.db2.gz OLXSOUWOQMJTMN-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257638 1310433230 /nfs/dbraw/zinc/43/32/30/1310433230.db2.gz SMKRDJNBHOMFGH-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257636 1310433441 /nfs/dbraw/zinc/43/34/41/1310433441.db2.gz SMKRDJNBHOMFGH-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047264850 1310456147 /nfs/dbraw/zinc/45/61/47/1310456147.db2.gz VEBOUNGFZOKLGV-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265098 1310456683 /nfs/dbraw/zinc/45/66/83/1310456683.db2.gz PRBFAFWCIFMWHX-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265728 1310459466 /nfs/dbraw/zinc/45/94/66/1310459466.db2.gz WACZHJQAUGZRRN-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265730 1310459550 /nfs/dbraw/zinc/45/95/50/1310459550.db2.gz WACZHJQAUGZRRN-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669314 1311010435 /nfs/dbraw/zinc/01/04/35/1311010435.db2.gz GKSDDYCQFKYZJC-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712816 1311017360 /nfs/dbraw/zinc/01/73/60/1311017360.db2.gz PGHWIHGTPLPVHN-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730438 1311020614 /nfs/dbraw/zinc/02/06/14/1311020614.db2.gz HSGIEJKKAMUSIX-KZNAEPCWSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768266 1311029211 /nfs/dbraw/zinc/02/92/11/1311029211.db2.gz GUBCEGNOWWLUIB-LZLYRXPVSA-N 2 1 345.487 2.842 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768266 1311029214 /nfs/dbraw/zinc/02/92/14/1311029214.db2.gz GUBCEGNOWWLUIB-LZLYRXPVSA-N 2 1 345.487 2.842 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221786906 1311032202 /nfs/dbraw/zinc/03/22/02/1311032202.db2.gz FCIYCRJNFJOGQG-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877646 1311046503 /nfs/dbraw/zinc/04/65/03/1311046503.db2.gz BOSBSWRCLPDWSR-GUDVDZBRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942593 1311057242 /nfs/dbraw/zinc/05/72/42/1311057242.db2.gz RVVBBSUGIOXHCF-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942593 1311057245 /nfs/dbraw/zinc/05/72/45/1311057245.db2.gz RVVBBSUGIOXHCF-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942593 1311057247 /nfs/dbraw/zinc/05/72/47/1311057247.db2.gz RVVBBSUGIOXHCF-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942593 1311057250 /nfs/dbraw/zinc/05/72/50/1311057250.db2.gz RVVBBSUGIOXHCF-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091900 1311083154 /nfs/dbraw/zinc/08/31/54/1311083154.db2.gz CIWVZMGAIJIIQL-IBGZPJMESA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091900 1311083157 /nfs/dbraw/zinc/08/31/57/1311083157.db2.gz CIWVZMGAIJIIQL-IBGZPJMESA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099279 1311084753 /nfs/dbraw/zinc/08/47/53/1311084753.db2.gz ZBYVEDBBLYZITQ-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099279 1311084754 /nfs/dbraw/zinc/08/47/54/1311084754.db2.gz ZBYVEDBBLYZITQ-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099279 1311084759 /nfs/dbraw/zinc/08/47/59/1311084759.db2.gz ZBYVEDBBLYZITQ-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099279 1311084762 /nfs/dbraw/zinc/08/47/62/1311084762.db2.gz ZBYVEDBBLYZITQ-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C(#Cc1ccccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001222099812 1311084961 /nfs/dbraw/zinc/08/49/61/1311084961.db2.gz LUJKCOKKQGBFCO-UHFFFAOYSA-N 2 1 345.490 2.614 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1ccnc1 ZINC001099359949 1311089228 /nfs/dbraw/zinc/08/92/28/1311089228.db2.gz UWXWGSRWQUQIGT-KRWDZBQOSA-N 2 1 332.492 2.846 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C(=O)OCC ZINC001222160599 1311093327 /nfs/dbraw/zinc/09/33/27/1311093327.db2.gz GPJGVZITLCKUGB-LJQANCHMSA-N 2 1 337.508 2.877 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547255 1311100997 /nfs/dbraw/zinc/10/09/97/1311100997.db2.gz BRHJOHSPLZXARO-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C(#Cc1ccccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001222507307 1311144310 /nfs/dbraw/zinc/14/43/10/1311144310.db2.gz QUXYAFPVSAPLKO-GOTSBHOMSA-N 2 1 345.490 2.612 20 30 EFEDMP N#Cc1ccc(Br)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222543306 1311150459 /nfs/dbraw/zinc/15/04/59/1311150459.db2.gz UILPWIFFHLPYFX-UHFFFAOYSA-N 2 1 326.213 2.584 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222788906 1311184359 /nfs/dbraw/zinc/18/43/59/1311184359.db2.gz DPANYSQSPNTQPS-SQNIBIBYSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222921051 1311199124 /nfs/dbraw/zinc/19/91/24/1311199124.db2.gz CEDANSIWPLNAAZ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222921051 1311199125 /nfs/dbraw/zinc/19/91/25/1311199125.db2.gz CEDANSIWPLNAAZ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222921051 1311199126 /nfs/dbraw/zinc/19/91/26/1311199126.db2.gz CEDANSIWPLNAAZ-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200531 1311228914 /nfs/dbraw/zinc/22/89/14/1311228914.db2.gz MSLGJOVEAVPCKB-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101427455 1311241106 /nfs/dbraw/zinc/24/11/06/1311241106.db2.gz AWHKXOJOXOEUIO-QUCCMNQESA-N 2 1 335.536 2.855 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461530 1311244296 /nfs/dbraw/zinc/24/42/96/1311244296.db2.gz HEJUTDAOMQCSPI-QUCCMNQESA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001223450343 1311262503 /nfs/dbraw/zinc/26/25/03/1311262503.db2.gz VVVCFLYPSRPFOM-LJQANCHMSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001223464719 1311263620 /nfs/dbraw/zinc/26/36/20/1311263620.db2.gz ASDLPXGRJJSCKA-SJLPKXTDSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223472968 1311265134 /nfs/dbraw/zinc/26/51/34/1311265134.db2.gz YZCZLMCULYLIPO-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223472968 1311265137 /nfs/dbraw/zinc/26/51/37/1311265137.db2.gz YZCZLMCULYLIPO-QGZVFWFLSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C/CCC)CC1 ZINC001223495081 1311268296 /nfs/dbraw/zinc/26/82/96/1311268296.db2.gz IYHUAMIGOVVYQI-YJJPMGAVSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C/CCC)CC1 ZINC001223495081 1311268300 /nfs/dbraw/zinc/26/83/00/1311268300.db2.gz IYHUAMIGOVVYQI-YJJPMGAVSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976158 1311271430 /nfs/dbraw/zinc/27/14/30/1311271430.db2.gz LVMILRQFQLBQHQ-MISYRCLQSA-N 2 1 347.547 2.759 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001223578523 1311277902 /nfs/dbraw/zinc/27/79/02/1311277902.db2.gz YQBSPLLIKOVRTN-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078628 1311278456 /nfs/dbraw/zinc/27/84/56/1311278456.db2.gz BHNYMDWABBIZIX-QZTJIDSGSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)C[C@@H]21 ZINC001223594325 1311280082 /nfs/dbraw/zinc/28/00/82/1311280082.db2.gz KRYMEINOSCVRKM-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223594325 1311280085 /nfs/dbraw/zinc/28/00/85/1311280085.db2.gz KRYMEINOSCVRKM-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223594325 1311280088 /nfs/dbraw/zinc/28/00/88/1311280088.db2.gz KRYMEINOSCVRKM-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223831603 1311309258 /nfs/dbraw/zinc/30/92/58/1311309258.db2.gz IWSOBUWVSOQEMQ-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223837075 1311309673 /nfs/dbraw/zinc/30/96/73/1311309673.db2.gz LGUMILWZCZSNOC-UHFFFAOYSA-N 2 1 334.508 2.990 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912756 1311320243 /nfs/dbraw/zinc/32/02/43/1311320243.db2.gz ZOOVSYBFEWMNRZ-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912756 1311320244 /nfs/dbraw/zinc/32/02/44/1311320244.db2.gz ZOOVSYBFEWMNRZ-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912756 1311320247 /nfs/dbraw/zinc/32/02/47/1311320247.db2.gz ZOOVSYBFEWMNRZ-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911134 1311320563 /nfs/dbraw/zinc/32/05/63/1311320563.db2.gz AHKVCGZNTFFZKZ-MOPGFXCFSA-N 2 1 347.547 2.975 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130583 1311346384 /nfs/dbraw/zinc/34/63/84/1311346384.db2.gz RCVZVQNERYRZJP-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290111 1311371341 /nfs/dbraw/zinc/37/13/41/1311371341.db2.gz ZUCXFASSEYSWQI-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306693 1311373657 /nfs/dbraw/zinc/37/36/57/1311373657.db2.gz MBTNEFLXUYPOIH-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306693 1311373661 /nfs/dbraw/zinc/37/36/61/1311373661.db2.gz MBTNEFLXUYPOIH-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306693 1311373662 /nfs/dbraw/zinc/37/36/62/1311373662.db2.gz MBTNEFLXUYPOIH-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306693 1311373666 /nfs/dbraw/zinc/37/36/66/1311373666.db2.gz MBTNEFLXUYPOIH-UXHICEINSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001224545565 1311405093 /nfs/dbraw/zinc/40/50/93/1311405093.db2.gz AOKFWAFMKGLLBG-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546927 1311405305 /nfs/dbraw/zinc/40/53/05/1311405305.db2.gz SVSJNUXVAGRIJP-HKUYNNGSSA-N 2 1 337.552 2.983 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224560764 1311407428 /nfs/dbraw/zinc/40/74/28/1311407428.db2.gz WXVCOXOKCBYEHE-LJQANCHMSA-N 2 1 339.499 2.603 20 30 EFEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143151 1311481866 /nfs/dbraw/zinc/48/18/66/1311481866.db2.gz UOLWKOIECBDEIC-HXUWFJFHSA-N 2 1 341.499 2.531 20 30 EFEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143150 1311482025 /nfs/dbraw/zinc/48/20/25/1311482025.db2.gz UOLWKOIECBDEIC-FQEVSTJZSA-N 2 1 341.499 2.531 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2cc(OC)ccc21 ZINC001159921481 1311608335 /nfs/dbraw/zinc/60/83/35/1311608335.db2.gz WLHYRDFVEZWCSV-KRWDZBQOSA-N 2 1 343.427 2.882 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120019 1311647593 /nfs/dbraw/zinc/64/75/93/1311647593.db2.gz KBVDXUFVEBFEKJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120019 1311647597 /nfs/dbraw/zinc/64/75/97/1311647597.db2.gz KBVDXUFVEBFEKJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120019 1311647601 /nfs/dbraw/zinc/64/76/01/1311647601.db2.gz KBVDXUFVEBFEKJ-IBGZPJMESA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226323873 1311648772 /nfs/dbraw/zinc/64/87/72/1311648772.db2.gz UXVVCJBJOYHDOD-GVDBMIGSSA-N 2 1 332.492 2.990 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001160209867 1311665274 /nfs/dbraw/zinc/66/52/74/1311665274.db2.gz ZOLYHSKEMSPINH-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001160209867 1311665278 /nfs/dbraw/zinc/66/52/78/1311665278.db2.gz ZOLYHSKEMSPINH-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285510 1311680257 /nfs/dbraw/zinc/68/02/57/1311680257.db2.gz FWDZKTXYTZICMC-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285510 1311680259 /nfs/dbraw/zinc/68/02/59/1311680259.db2.gz FWDZKTXYTZICMC-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285510 1311680262 /nfs/dbraw/zinc/68/02/62/1311680262.db2.gz FWDZKTXYTZICMC-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285510 1311680264 /nfs/dbraw/zinc/68/02/64/1311680264.db2.gz FWDZKTXYTZICMC-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160291201 1311681412 /nfs/dbraw/zinc/68/14/12/1311681412.db2.gz GAAZOUBARGDRLC-GOSISDBHSA-N 2 1 339.499 2.771 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160293404 1311682002 /nfs/dbraw/zinc/68/20/02/1311682002.db2.gz WSVPMLBNAPKHGU-INIZCTEOSA-N 2 1 345.890 2.557 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160293404 1311682005 /nfs/dbraw/zinc/68/20/05/1311682005.db2.gz WSVPMLBNAPKHGU-INIZCTEOSA-N 2 1 345.890 2.557 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160292438 1311682479 /nfs/dbraw/zinc/68/24/79/1311682479.db2.gz NNSZXBALCRIXRB-SFHVURJKSA-N 2 1 339.499 2.771 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353763 1311696049 /nfs/dbraw/zinc/69/60/49/1311696049.db2.gz YEOHYTCDWNZSOU-GOSISDBHSA-N 2 1 342.487 2.865 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353763 1311696052 /nfs/dbraw/zinc/69/60/52/1311696052.db2.gz YEOHYTCDWNZSOU-GOSISDBHSA-N 2 1 342.487 2.865 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352734 1311696174 /nfs/dbraw/zinc/69/61/74/1311696174.db2.gz KLUOILXPMSIDNS-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352734 1311696177 /nfs/dbraw/zinc/69/61/77/1311696177.db2.gz KLUOILXPMSIDNS-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352734 1311696181 /nfs/dbraw/zinc/69/61/81/1311696181.db2.gz KLUOILXPMSIDNS-IBGZPJMESA-N 2 1 333.520 2.679 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353766 1311696425 /nfs/dbraw/zinc/69/64/25/1311696425.db2.gz YEOHYTCDWNZSOU-SFHVURJKSA-N 2 1 342.487 2.865 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353766 1311696428 /nfs/dbraw/zinc/69/64/28/1311696428.db2.gz YEOHYTCDWNZSOU-SFHVURJKSA-N 2 1 342.487 2.865 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360403 1311697424 /nfs/dbraw/zinc/69/74/24/1311697424.db2.gz QMIKORVAWTUDMW-APWZRJJASA-N 2 1 333.520 2.820 20 30 EFEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277152308 1311716340 /nfs/dbraw/zinc/71/63/40/1311716340.db2.gz LMENENXUIHDANP-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466070 1311716412 /nfs/dbraw/zinc/71/64/12/1311716412.db2.gz AHXCISOIPXHZSL-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160466070 1311716416 /nfs/dbraw/zinc/71/64/16/1311716416.db2.gz AHXCISOIPXHZSL-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160466070 1311716419 /nfs/dbraw/zinc/71/64/19/1311716419.db2.gz AHXCISOIPXHZSL-OALUTQOASA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467251 1311716997 /nfs/dbraw/zinc/71/69/97/1311716997.db2.gz PUBVTIPQGVFYIO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467251 1311716998 /nfs/dbraw/zinc/71/69/98/1311716998.db2.gz PUBVTIPQGVFYIO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467251 1311717000 /nfs/dbraw/zinc/71/70/00/1311717000.db2.gz PUBVTIPQGVFYIO-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499774 1311722745 /nfs/dbraw/zinc/72/27/45/1311722745.db2.gz ICMVVAQXJXVLCD-PKOBYXMFSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499774 1311722749 /nfs/dbraw/zinc/72/27/49/1311722749.db2.gz ICMVVAQXJXVLCD-PKOBYXMFSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499774 1311722753 /nfs/dbraw/zinc/72/27/53/1311722753.db2.gz ICMVVAQXJXVLCD-PKOBYXMFSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592817 1311742864 /nfs/dbraw/zinc/74/28/64/1311742864.db2.gz FFAXQEGCDIZYGU-UHFFFAOYSA-N 2 1 331.504 2.719 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001160603294 1311744256 /nfs/dbraw/zinc/74/42/56/1311744256.db2.gz VBWFBFUNLNVAKI-KRWDZBQOSA-N 2 1 330.476 2.502 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227216257 1311777585 /nfs/dbraw/zinc/77/75/85/1311777585.db2.gz DUVWSTJSUMFGKM-QZTJIDSGSA-N 2 1 333.520 2.680 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787198 1311781675 /nfs/dbraw/zinc/78/16/75/1311781675.db2.gz KEWFIHYCZKMKMA-IBGZPJMESA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804198 1311785108 /nfs/dbraw/zinc/78/51/08/1311785108.db2.gz DYJORJHSFIAWFK-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849289 1311795918 /nfs/dbraw/zinc/79/59/18/1311795918.db2.gz ODFZZPKUVXNIIH-PMACEKPBSA-N 2 1 341.499 2.892 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849289 1311795921 /nfs/dbraw/zinc/79/59/21/1311795921.db2.gz ODFZZPKUVXNIIH-PMACEKPBSA-N 2 1 341.499 2.892 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001160952966 1311819982 /nfs/dbraw/zinc/81/99/82/1311819982.db2.gz KUDPXWUVTKFUGK-AWEZNQCLSA-N 2 1 335.883 2.659 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791759 1311856600 /nfs/dbraw/zinc/85/66/00/1311856600.db2.gz GFSSZLNPJDIYES-NVXWUHKLSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101611 1311856774 /nfs/dbraw/zinc/85/67/74/1311856774.db2.gz GSTDWIGMDDZACP-KRWDZBQOSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525174 1311861364 /nfs/dbraw/zinc/86/13/64/1311861364.db2.gz NYNGTUIXYXCSMN-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525174 1311861367 /nfs/dbraw/zinc/86/13/67/1311861367.db2.gz NYNGTUIXYXCSMN-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525174 1311861371 /nfs/dbraw/zinc/86/13/71/1311861371.db2.gz NYNGTUIXYXCSMN-SWBPCFCJSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532247 1311870662 /nfs/dbraw/zinc/87/06/62/1311870662.db2.gz WYJWAQAPIIIGRG-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532247 1311870665 /nfs/dbraw/zinc/87/06/65/1311870665.db2.gz WYJWAQAPIIIGRG-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532247 1311870669 /nfs/dbraw/zinc/87/06/69/1311870669.db2.gz WYJWAQAPIIIGRG-AKHDSKFASA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382862 1311874220 /nfs/dbraw/zinc/87/42/20/1311874220.db2.gz BWAHWAPWRMFBPC-GOSISDBHSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390139 1311875938 /nfs/dbraw/zinc/87/59/38/1311875938.db2.gz BFKHPLVJZCFVGO-UHFFFAOYSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390342 1311876263 /nfs/dbraw/zinc/87/62/63/1311876263.db2.gz DXQCSVPCELPWJE-UHFFFAOYSA-N 2 1 339.911 2.609 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390342 1311876265 /nfs/dbraw/zinc/87/62/65/1311876265.db2.gz DXQCSVPCELPWJE-UHFFFAOYSA-N 2 1 339.911 2.609 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537452 1311876973 /nfs/dbraw/zinc/87/69/73/1311876973.db2.gz BJVOIFOKUCTUNX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048537452 1311876977 /nfs/dbraw/zinc/87/69/77/1311876977.db2.gz BJVOIFOKUCTUNX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048537452 1311876980 /nfs/dbraw/zinc/87/69/80/1311876980.db2.gz BJVOIFOKUCTUNX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048541088 1311882364 /nfs/dbraw/zinc/88/23/64/1311882364.db2.gz XUCHBWRRMNHBEI-YVSFHVDLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048541090 1311882289 /nfs/dbraw/zinc/88/22/89/1311882289.db2.gz XUCHBWRRMNHBEI-YYIAUSFCSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048541090 1311882294 /nfs/dbraw/zinc/88/22/94/1311882294.db2.gz XUCHBWRRMNHBEI-YYIAUSFCSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048541090 1311882297 /nfs/dbraw/zinc/88/22/97/1311882297.db2.gz XUCHBWRRMNHBEI-YYIAUSFCSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048541088 1311882357 /nfs/dbraw/zinc/88/23/57/1311882357.db2.gz XUCHBWRRMNHBEI-YVSFHVDLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048541088 1311882360 /nfs/dbraw/zinc/88/23/60/1311882360.db2.gz XUCHBWRRMNHBEI-YVSFHVDLSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048561787 1311907208 /nfs/dbraw/zinc/90/72/08/1311907208.db2.gz FKVXMQHQIJDNMV-UJWQCDCRSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048561787 1311907210 /nfs/dbraw/zinc/90/72/10/1311907210.db2.gz FKVXMQHQIJDNMV-UJWQCDCRSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048561787 1311907212 /nfs/dbraw/zinc/90/72/12/1311907212.db2.gz FKVXMQHQIJDNMV-UJWQCDCRSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216283 1311916112 /nfs/dbraw/zinc/91/61/12/1311916112.db2.gz VZPDLCIVKIWPGV-BHIYHBOVSA-N 2 1 344.503 2.737 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574179 1311922277 /nfs/dbraw/zinc/92/22/77/1311922277.db2.gz RPZWCBLTWDWTFW-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574179 1311922279 /nfs/dbraw/zinc/92/22/79/1311922279.db2.gz RPZWCBLTWDWTFW-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574179 1311922282 /nfs/dbraw/zinc/92/22/82/1311922282.db2.gz RPZWCBLTWDWTFW-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161674572 1311947863 /nfs/dbraw/zinc/94/78/63/1311947863.db2.gz NIVXPVUCHHPUCW-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674572 1311947866 /nfs/dbraw/zinc/94/78/66/1311947866.db2.gz NIVXPVUCHHPUCW-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674572 1311947867 /nfs/dbraw/zinc/94/78/67/1311947867.db2.gz NIVXPVUCHHPUCW-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161693696 1311952669 /nfs/dbraw/zinc/95/26/69/1311952669.db2.gz BZVUEPLAKGVMOH-UHFFFAOYSA-N 2 1 345.531 2.823 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001228602110 1311968385 /nfs/dbraw/zinc/96/83/85/1311968385.db2.gz DDAYKMMCLHHZIV-BHIYHBOVSA-N 2 1 344.503 2.737 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899101 1311998018 /nfs/dbraw/zinc/99/80/18/1311998018.db2.gz JSSVVYZMZXAMRO-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228865174 1312012273 /nfs/dbraw/zinc/01/22/73/1312012273.db2.gz VKLDJUCIJNMFHD-NVXWUHKLSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001229193277 1312060042 /nfs/dbraw/zinc/06/00/42/1312060042.db2.gz IOUINXGIYSPTBA-IBGZPJMESA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162746797 1312166587 /nfs/dbraw/zinc/16/65/87/1312166587.db2.gz JCQGXMCHIPONBH-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001162810965 1312180885 /nfs/dbraw/zinc/18/08/85/1312180885.db2.gz UKDFEUNIFSYEEA-VQTJNVASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001162836819 1312187156 /nfs/dbraw/zinc/18/71/56/1312187156.db2.gz RPOBIRPPMZFKLW-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162851368 1312189915 /nfs/dbraw/zinc/18/99/15/1312189915.db2.gz SWECRZZPGLOOSO-UHFFFAOYSA-N 2 1 345.531 2.954 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147235 1312194907 /nfs/dbraw/zinc/19/49/07/1312194907.db2.gz AHUIFBUUXHAGAS-QZTJIDSGSA-N 2 1 332.492 2.955 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001162906776 1312200791 /nfs/dbraw/zinc/20/07/91/1312200791.db2.gz QWRROMZMBBPERZ-ICSRJNTNSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162986892 1312219688 /nfs/dbraw/zinc/21/96/88/1312219688.db2.gz COISILHRTGJAMN-UHFFFAOYSA-N 2 1 345.531 2.955 20 30 EFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006936 1312224698 /nfs/dbraw/zinc/22/46/98/1312224698.db2.gz LRJWIFADEISJDR-UHFFFAOYSA-N 2 1 345.531 2.954 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374096 1312231669 /nfs/dbraw/zinc/23/16/69/1312231669.db2.gz ITUVSTXAAPWZRU-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081927 1312237193 /nfs/dbraw/zinc/23/71/93/1312237193.db2.gz NXFYWGOPUXELMD-MOPGFXCFSA-N 2 1 327.472 2.800 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910889 1312250001 /nfs/dbraw/zinc/25/00/01/1312250001.db2.gz NPHWDBRVJQNLFK-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910889 1312250004 /nfs/dbraw/zinc/25/00/04/1312250004.db2.gz NPHWDBRVJQNLFK-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910889 1312250008 /nfs/dbraw/zinc/25/00/08/1312250008.db2.gz NPHWDBRVJQNLFK-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911014 1312250755 /nfs/dbraw/zinc/25/07/55/1312250755.db2.gz REKCLQAIKHMIFU-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911014 1312250759 /nfs/dbraw/zinc/25/07/59/1312250759.db2.gz REKCLQAIKHMIFU-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911014 1312250764 /nfs/dbraw/zinc/25/07/64/1312250764.db2.gz REKCLQAIKHMIFU-CALCHBBNSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611747 1312283239 /nfs/dbraw/zinc/28/32/39/1312283239.db2.gz ZHWVXDOHOJINJG-WOJBJXKFSA-N 2 1 347.547 2.689 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612814 1312283948 /nfs/dbraw/zinc/28/39/48/1312283948.db2.gz GDMKJQJRWWSNSZ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612814 1312283952 /nfs/dbraw/zinc/28/39/52/1312283952.db2.gz GDMKJQJRWWSNSZ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612814 1312283955 /nfs/dbraw/zinc/28/39/55/1312283955.db2.gz GDMKJQJRWWSNSZ-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612884 1312284180 /nfs/dbraw/zinc/28/41/80/1312284180.db2.gz HQLBFPLSOLTUSE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612884 1312284183 /nfs/dbraw/zinc/28/41/83/1312284183.db2.gz HQLBFPLSOLTUSE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612884 1312284186 /nfs/dbraw/zinc/28/41/86/1312284186.db2.gz HQLBFPLSOLTUSE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621886 1312287285 /nfs/dbraw/zinc/28/72/85/1312287285.db2.gz IFSWUPIBOCDJRV-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230622190 1312287539 /nfs/dbraw/zinc/28/75/39/1312287539.db2.gz KMUYGBKTGOWIDP-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623407 1312288757 /nfs/dbraw/zinc/28/87/57/1312288757.db2.gz XFMJKSWKVCGBSU-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230841725 1312366774 /nfs/dbraw/zinc/36/67/74/1312366774.db2.gz VSIZGZIPUVODHH-LJQANCHMSA-N 2 1 346.519 2.552 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871746 1312375604 /nfs/dbraw/zinc/37/56/04/1312375604.db2.gz QAHZBRPDWJDVQT-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)C[N@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230906819 1312387607 /nfs/dbraw/zinc/38/76/07/1312387607.db2.gz VRRGXCSUWCWCEG-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395683 /nfs/dbraw/zinc/39/56/83/1312395683.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCCC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395685 /nfs/dbraw/zinc/39/56/85/1312395685.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395687 /nfs/dbraw/zinc/39/56/87/1312395687.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 2 1 346.519 2.696 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531468 1312534357 /nfs/dbraw/zinc/53/43/57/1312534357.db2.gz JQJULHPJDOQNSI-ZWKOTPCHSA-N 2 1 333.520 2.703 20 30 EFEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164536819 1312535874 /nfs/dbraw/zinc/53/58/74/1312535874.db2.gz QXOVPVBQZNCTFX-KRWDZBQOSA-N 2 1 333.520 2.703 20 30 EFEDMP C#Cc1cccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001231654658 1312541582 /nfs/dbraw/zinc/54/15/82/1312541582.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001231654658 1312541586 /nfs/dbraw/zinc/54/15/86/1312541586.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001231654658 1312541589 /nfs/dbraw/zinc/54/15/89/1312541589.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 1 326.484 2.991 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578708 1312543214 /nfs/dbraw/zinc/54/32/14/1312543214.db2.gz NZRHLVNUBNKVLZ-MRXNPFEDSA-N 2 1 332.492 2.849 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234249 1312608945 /nfs/dbraw/zinc/60/89/45/1312608945.db2.gz BJONWYYICBFAAC-ZCNNSNEGSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234249 1312608948 /nfs/dbraw/zinc/60/89/48/1312608948.db2.gz BJONWYYICBFAAC-ZCNNSNEGSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485090 1312636126 /nfs/dbraw/zinc/63/61/26/1312636126.db2.gz LJVWDEBYXZLARL-MRXNPFEDSA-N 2 1 330.476 2.603 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165546004 1312645941 /nfs/dbraw/zinc/64/59/41/1312645941.db2.gz VRMBZFOVQFMBSQ-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165546004 1312645945 /nfs/dbraw/zinc/64/59/45/1312645945.db2.gz VRMBZFOVQFMBSQ-IBGZPJMESA-N 2 1 345.531 2.540 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165545803 1312645993 /nfs/dbraw/zinc/64/59/93/1312645993.db2.gz PQWCGLNIEMJMDT-SFHVURJKSA-N 2 1 347.547 2.786 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165545803 1312645997 /nfs/dbraw/zinc/64/59/97/1312645997.db2.gz PQWCGLNIEMJMDT-SFHVURJKSA-N 2 1 347.547 2.786 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267468 1314466026 /nfs/dbraw/zinc/46/60/26/1314466026.db2.gz BBTPFXITYQZBMA-MOPGFXCFSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267470 1314466349 /nfs/dbraw/zinc/46/63/49/1314466349.db2.gz BBTPFXITYQZBMA-OALUTQOASA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448065 1314501989 /nfs/dbraw/zinc/50/19/89/1314501989.db2.gz WQFDOSQPHRHSGS-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448065 1314501992 /nfs/dbraw/zinc/50/19/92/1314501992.db2.gz WQFDOSQPHRHSGS-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211448065 1314501997 /nfs/dbraw/zinc/50/19/97/1314501997.db2.gz WQFDOSQPHRHSGS-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211448065 1314502001 /nfs/dbraw/zinc/50/20/01/1314502001.db2.gz WQFDOSQPHRHSGS-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246022678 1314567858 /nfs/dbraw/zinc/56/78/58/1314567858.db2.gz ARTISPRPISHCIT-RBUKOAKNSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246022678 1314567861 /nfs/dbraw/zinc/56/78/61/1314567861.db2.gz ARTISPRPISHCIT-RBUKOAKNSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246022672 1314568160 /nfs/dbraw/zinc/56/81/60/1314568160.db2.gz ARTISPRPISHCIT-MOPGFXCFSA-N 2 1 326.525 2.800 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246022672 1314568162 /nfs/dbraw/zinc/56/81/62/1314568162.db2.gz ARTISPRPISHCIT-MOPGFXCFSA-N 2 1 326.525 2.800 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246046419 1314573378 /nfs/dbraw/zinc/57/33/78/1314573378.db2.gz QBDMVQFFZCZVPO-IBGZPJMESA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001246303643 1314607659 /nfs/dbraw/zinc/60/76/59/1314607659.db2.gz JCRNAOCBLMUESJ-APWZRJJASA-N 2 1 332.488 2.996 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccc(CC)cc1 ZINC001246303679 1314608020 /nfs/dbraw/zinc/60/80/20/1314608020.db2.gz JCRNAOCBLMUESJ-LPHOPBHVSA-N 2 1 332.488 2.996 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246307183 1314608356 /nfs/dbraw/zinc/60/83/56/1314608356.db2.gz JZNBVCVPMZBTJY-CEXWTWQISA-N 2 1 346.471 2.723 20 30 EFEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001246311814 1314609081 /nfs/dbraw/zinc/60/90/81/1314609081.db2.gz MIHFUXMXNPOZLQ-MOPGFXCFSA-N 2 1 330.472 2.669 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246525358 1314642243 /nfs/dbraw/zinc/64/22/43/1314642243.db2.gz JGNMPNIRCBBHQL-IAGOWNOFSA-N 2 1 335.492 2.628 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@@](O)(C[NH3+])CC3)CC2)cc1 ZINC001246540406 1314644612 /nfs/dbraw/zinc/64/46/12/1314644612.db2.gz DVVRWEXYYMGVHL-MHJFOBGBSA-N 2 1 327.472 2.760 20 30 EFEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246542445 1314644660 /nfs/dbraw/zinc/64/46/60/1314644660.db2.gz KQJIVJPSIRXDKW-MHJFOBGBSA-N 2 1 327.472 2.566 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246620250 1314658263 /nfs/dbraw/zinc/65/82/63/1314658263.db2.gz XFCHSWYBLOVNKC-JSRAGOMMSA-N 2 1 338.499 2.610 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087928 1314695075 /nfs/dbraw/zinc/69/50/75/1314695075.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087928 1314695078 /nfs/dbraw/zinc/69/50/78/1314695078.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087928 1314695081 /nfs/dbraw/zinc/69/50/81/1314695081.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088427 1314695862 /nfs/dbraw/zinc/69/58/62/1314695862.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088427 1314695864 /nfs/dbraw/zinc/69/58/64/1314695864.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088427 1314695867 /nfs/dbraw/zinc/69/58/67/1314695867.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093375 1314704017 /nfs/dbraw/zinc/70/40/17/1314704017.db2.gz XXCYGIVHPAYOPN-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093375 1314704020 /nfs/dbraw/zinc/70/40/20/1314704020.db2.gz XXCYGIVHPAYOPN-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096443 1314708846 /nfs/dbraw/zinc/70/88/46/1314708846.db2.gz UCLJREHLIOYTNI-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053098954 1314713604 /nfs/dbraw/zinc/71/36/04/1314713604.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098954 1314713608 /nfs/dbraw/zinc/71/36/08/1314713608.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098954 1314713613 /nfs/dbraw/zinc/71/36/13/1314713613.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099216 1314714302 /nfs/dbraw/zinc/71/43/02/1314714302.db2.gz BIIJHRWSEXGLJC-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001247008622 1314730210 /nfs/dbraw/zinc/73/02/10/1314730210.db2.gz YOBPZBALHHDGLC-INIZCTEOSA-N 2 1 335.492 2.675 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107749 1314732423 /nfs/dbraw/zinc/73/24/23/1314732423.db2.gz LMEYSPAUOKQRMQ-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107749 1314732427 /nfs/dbraw/zinc/73/24/27/1314732427.db2.gz LMEYSPAUOKQRMQ-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551238 1314850464 /nfs/dbraw/zinc/85/04/64/1314850464.db2.gz OLWKSFMMCDGHJV-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038624002 1315048514 /nfs/dbraw/zinc/04/85/14/1315048514.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624002 1315048519 /nfs/dbraw/zinc/04/85/19/1315048519.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624002 1315048524 /nfs/dbraw/zinc/04/85/24/1315048524.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP N#Cc1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001249327988 1315054918 /nfs/dbraw/zinc/05/49/18/1315054918.db2.gz OKJBGLWGWQQIHR-QGZVFWFLSA-N 2 1 333.395 2.761 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054135106 1315346625 /nfs/dbraw/zinc/34/66/25/1315346625.db2.gz VFIAJWLVWXUOMW-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135106 1315346628 /nfs/dbraw/zinc/34/66/28/1315346628.db2.gz VFIAJWLVWXUOMW-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135106 1315346632 /nfs/dbraw/zinc/34/66/32/1315346632.db2.gz VFIAJWLVWXUOMW-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144586 1315362819 /nfs/dbraw/zinc/36/28/19/1315362819.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144586 1315362822 /nfs/dbraw/zinc/36/28/22/1315362822.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144586 1315362824 /nfs/dbraw/zinc/36/28/24/1315362824.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145896 1315365211 /nfs/dbraw/zinc/36/52/11/1315365211.db2.gz ZIZVLLYEORJFKO-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145896 1315365214 /nfs/dbraw/zinc/36/52/14/1315365214.db2.gz ZIZVLLYEORJFKO-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153609 1315378261 /nfs/dbraw/zinc/37/82/61/1315378261.db2.gz UYJCSERSVNWSCS-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153609 1315378266 /nfs/dbraw/zinc/37/82/66/1315378266.db2.gz UYJCSERSVNWSCS-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153609 1315378271 /nfs/dbraw/zinc/37/82/71/1315378271.db2.gz UYJCSERSVNWSCS-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159160 1315386931 /nfs/dbraw/zinc/38/69/31/1315386931.db2.gz TUHUFAVYGPLLJX-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159160 1315386936 /nfs/dbraw/zinc/38/69/36/1315386936.db2.gz TUHUFAVYGPLLJX-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159160 1315386938 /nfs/dbraw/zinc/38/69/38/1315386938.db2.gz TUHUFAVYGPLLJX-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159142 1315387131 /nfs/dbraw/zinc/38/71/31/1315387131.db2.gz SZSNKPNVPVRNSR-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159142 1315387134 /nfs/dbraw/zinc/38/71/34/1315387134.db2.gz SZSNKPNVPVRNSR-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159142 1315387138 /nfs/dbraw/zinc/38/71/38/1315387138.db2.gz SZSNKPNVPVRNSR-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159137 1315387340 /nfs/dbraw/zinc/38/73/40/1315387340.db2.gz SZSNKPNVPVRNSR-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159137 1315387344 /nfs/dbraw/zinc/38/73/44/1315387344.db2.gz SZSNKPNVPVRNSR-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159137 1315387349 /nfs/dbraw/zinc/38/73/49/1315387349.db2.gz SZSNKPNVPVRNSR-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174403 1315410309 /nfs/dbraw/zinc/41/03/09/1315410309.db2.gz OMCPUQGXBSFLOK-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191840 1315433380 /nfs/dbraw/zinc/43/33/80/1315433380.db2.gz NERDZRCXLKHZGS-UYAOXDASSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252460525 1315451974 /nfs/dbraw/zinc/45/19/74/1315451974.db2.gz CPCNZBKGKKOOPE-HKUYNNGSSA-N 2 1 348.487 2.520 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001252466190 1315453141 /nfs/dbraw/zinc/45/31/41/1315453141.db2.gz NJIFXVNYSOLVFL-FIRPJDEBSA-N 2 1 344.499 2.660 20 30 EFEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252466190 1315453143 /nfs/dbraw/zinc/45/31/43/1315453143.db2.gz NJIFXVNYSOLVFL-FIRPJDEBSA-N 2 1 344.499 2.660 20 30 EFEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252466190 1315453146 /nfs/dbraw/zinc/45/31/46/1315453146.db2.gz NJIFXVNYSOLVFL-FIRPJDEBSA-N 2 1 344.499 2.660 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209786 1315461113 /nfs/dbraw/zinc/46/11/13/1315461113.db2.gz XSVZMCKNVULOTM-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209781 1315461952 /nfs/dbraw/zinc/46/19/52/1315461952.db2.gz XQWISWGEXZPNQK-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209783 1315462078 /nfs/dbraw/zinc/46/20/78/1315462078.db2.gz XQWISWGEXZPNQK-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001252554368 1315467517 /nfs/dbraw/zinc/46/75/17/1315467517.db2.gz FHVPTIIHPSMPSZ-GOSISDBHSA-N 2 1 331.847 2.947 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214049 1315468472 /nfs/dbraw/zinc/46/84/72/1315468472.db2.gz PVACMLMBNVSUOS-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219696 1315476316 /nfs/dbraw/zinc/47/63/16/1315476316.db2.gz SUHMCIXHKFPHCX-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001252618702 1315476855 /nfs/dbraw/zinc/47/68/55/1315476855.db2.gz DGMZTIJDZKSSLR-IBGZPJMESA-N 2 1 332.488 2.619 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223447 1315481113 /nfs/dbraw/zinc/48/11/13/1315481113.db2.gz VGLQARLQOPLCRP-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227896 1315487258 /nfs/dbraw/zinc/48/72/58/1315487258.db2.gz MEXJYVKJMIWGJS-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227896 1315487261 /nfs/dbraw/zinc/48/72/61/1315487261.db2.gz MEXJYVKJMIWGJS-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131695 1315513255 /nfs/dbraw/zinc/51/32/55/1315513255.db2.gz SGTWRFIDKKAXHD-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244842 1315514933 /nfs/dbraw/zinc/51/49/33/1315514933.db2.gz JSUPHUMABIYJCV-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244505 1315515474 /nfs/dbraw/zinc/51/54/74/1315515474.db2.gz FYEDBZRJZRSBAP-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245080 1315516022 /nfs/dbraw/zinc/51/60/22/1315516022.db2.gz OLXSBASZNPZJQA-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245081 1315516167 /nfs/dbraw/zinc/51/61/67/1315516167.db2.gz OLXSBASZNPZJQA-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039136403 1315521763 /nfs/dbraw/zinc/52/17/63/1315521763.db2.gz JOUXJMZUDLUXAG-UXHICEINSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136403 1315521767 /nfs/dbraw/zinc/52/17/67/1315521767.db2.gz JOUXJMZUDLUXAG-UXHICEINSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039136403 1315521770 /nfs/dbraw/zinc/52/17/70/1315521770.db2.gz JOUXJMZUDLUXAG-UXHICEINSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)cc2C1 ZINC001054268747 1315522810 /nfs/dbraw/zinc/52/28/10/1315522810.db2.gz WFIKYHQNELKOPE-IBGZPJMESA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)cc2C1 ZINC001054268747 1315522813 /nfs/dbraw/zinc/52/28/13/1315522813.db2.gz WFIKYHQNELKOPE-IBGZPJMESA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268747 1315522816 /nfs/dbraw/zinc/52/28/16/1315522816.db2.gz WFIKYHQNELKOPE-IBGZPJMESA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268747 1315522820 /nfs/dbraw/zinc/52/28/20/1315522820.db2.gz WFIKYHQNELKOPE-IBGZPJMESA-N 2 1 341.499 2.782 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137159 1315523671 /nfs/dbraw/zinc/52/36/71/1315523671.db2.gz LQFWDKNKOBEIJS-SFHVURJKSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137200 1315523918 /nfs/dbraw/zinc/52/39/18/1315523918.db2.gz QSYCFFZARWPCJR-DLBZAZTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139554 1315526980 /nfs/dbraw/zinc/52/69/80/1315526980.db2.gz JAZFJHWHHIGDCZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139554 1315526983 /nfs/dbraw/zinc/52/69/83/1315526983.db2.gz JAZFJHWHHIGDCZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139554 1315526988 /nfs/dbraw/zinc/52/69/88/1315526988.db2.gz JAZFJHWHHIGDCZ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139556 1315527037 /nfs/dbraw/zinc/52/70/37/1315527037.db2.gz JAZFJHWHHIGDCZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139556 1315527043 /nfs/dbraw/zinc/52/70/43/1315527043.db2.gz JAZFJHWHHIGDCZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139556 1315527047 /nfs/dbraw/zinc/52/70/47/1315527047.db2.gz JAZFJHWHHIGDCZ-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139549 1315527526 /nfs/dbraw/zinc/52/75/26/1315527526.db2.gz JAVPKMSANQGYMR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139549 1315527532 /nfs/dbraw/zinc/52/75/32/1315527532.db2.gz JAVPKMSANQGYMR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139549 1315527537 /nfs/dbraw/zinc/52/75/37/1315527537.db2.gz JAVPKMSANQGYMR-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139552 1315527687 /nfs/dbraw/zinc/52/76/87/1315527687.db2.gz JAVPKMSANQGYMR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139552 1315527691 /nfs/dbraw/zinc/52/76/91/1315527691.db2.gz JAVPKMSANQGYMR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139552 1315527694 /nfs/dbraw/zinc/52/76/94/1315527694.db2.gz JAVPKMSANQGYMR-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141011 1315530926 /nfs/dbraw/zinc/53/09/26/1315530926.db2.gz NAZAIVWWFGGHIH-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141011 1315530929 /nfs/dbraw/zinc/53/09/29/1315530929.db2.gz NAZAIVWWFGGHIH-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141011 1315530933 /nfs/dbraw/zinc/53/09/33/1315530933.db2.gz NAZAIVWWFGGHIH-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP Cc1ccc(C(=[NH2+])NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001252951557 1315541727 /nfs/dbraw/zinc/54/17/27/1315541727.db2.gz STXVWEZVOBOBAL-OAQYLSRUSA-N 2 1 337.467 2.646 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC001221510697 1315541994 /nfs/dbraw/zinc/54/19/94/1315541994.db2.gz CJUUHPVUPWIFHA-IAGOWNOFSA-N 2 1 332.492 2.845 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039151992 1315545893 /nfs/dbraw/zinc/54/58/93/1315545893.db2.gz QIIBUHINFUFSCD-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151992 1315545898 /nfs/dbraw/zinc/54/58/98/1315545898.db2.gz QIIBUHINFUFSCD-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039151992 1315545903 /nfs/dbraw/zinc/54/59/03/1315545903.db2.gz QIIBUHINFUFSCD-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153120 1315548057 /nfs/dbraw/zinc/54/80/57/1315548057.db2.gz PMYADNBHJGWCDK-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153120 1315548061 /nfs/dbraw/zinc/54/80/61/1315548061.db2.gz PMYADNBHJGWCDK-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153120 1315548064 /nfs/dbraw/zinc/54/80/64/1315548064.db2.gz PMYADNBHJGWCDK-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167196 1315568725 /nfs/dbraw/zinc/56/87/25/1315568725.db2.gz ODGZQUJYGWSNQA-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167664 1315569278 /nfs/dbraw/zinc/56/92/78/1315569278.db2.gz ZTBLHFXOVRTBEG-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643225 1315569788 /nfs/dbraw/zinc/56/97/88/1315569788.db2.gz VUVYDPQARSXLBR-IPMKNSEASA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173942 1315578719 /nfs/dbraw/zinc/57/87/19/1315578719.db2.gz IWIXQGCYPJDKRM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173942 1315578722 /nfs/dbraw/zinc/57/87/22/1315578722.db2.gz IWIXQGCYPJDKRM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173942 1315578725 /nfs/dbraw/zinc/57/87/25/1315578725.db2.gz IWIXQGCYPJDKRM-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253238290 1315583616 /nfs/dbraw/zinc/58/36/16/1315583616.db2.gz CCOBBHMRSRLHOR-GOSISDBHSA-N 2 1 342.524 2.691 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181999 1315588921 /nfs/dbraw/zinc/58/89/21/1315588921.db2.gz GXBNUNQSFBESGC-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001039187993 1315596139 /nfs/dbraw/zinc/59/61/39/1315596139.db2.gz IUEXNHQRYJSDGF-SFHVURJKSA-N 2 1 344.503 2.787 20 30 EFEDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001253393662 1315599870 /nfs/dbraw/zinc/59/98/70/1315599870.db2.gz ZIPWQIRIYQUKAS-LJQANCHMSA-N 2 1 329.488 2.562 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3nccn32)C1 ZINC001039216684 1315635693 /nfs/dbraw/zinc/63/56/93/1315635693.db2.gz QOTPDOZFYGJJGG-IRXDYDNUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224092 1315644237 /nfs/dbraw/zinc/64/42/37/1315644237.db2.gz CQDTWGBGLASYFZ-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231657 1315653979 /nfs/dbraw/zinc/65/39/79/1315653979.db2.gz XJNJPOQYYPKGIL-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231657 1315653984 /nfs/dbraw/zinc/65/39/84/1315653984.db2.gz XJNJPOQYYPKGIL-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234158 1315657162 /nfs/dbraw/zinc/65/71/62/1315657162.db2.gz PRCWGAXSIYMTPM-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233682 1315657289 /nfs/dbraw/zinc/65/72/89/1315657289.db2.gz DIBUPIMCERLTDX-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233682 1315657291 /nfs/dbraw/zinc/65/72/91/1315657291.db2.gz DIBUPIMCERLTDX-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233682 1315657295 /nfs/dbraw/zinc/65/72/95/1315657295.db2.gz DIBUPIMCERLTDX-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233891 1315657372 /nfs/dbraw/zinc/65/73/72/1315657372.db2.gz FUQNMWUTYAZKPN-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233889 1315657696 /nfs/dbraw/zinc/65/76/96/1315657696.db2.gz FUQNMWUTYAZKPN-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244841 1315673583 /nfs/dbraw/zinc/67/35/83/1315673583.db2.gz ZDSXMLXEKRTDIF-UXHICEINSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251151 1315682141 /nfs/dbraw/zinc/68/21/41/1315682141.db2.gz SZHTZLAQTLQDNN-FUHWJXTLSA-N 2 1 330.476 2.540 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039288896 1315703322 /nfs/dbraw/zinc/70/33/22/1315703322.db2.gz JSRGTEKMFLZQLZ-HQSKLWIPSA-N 2 1 342.487 2.838 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039301892 1315708789 /nfs/dbraw/zinc/70/87/89/1315708789.db2.gz QMWOQWNJOVJZCT-AYHJJNSGSA-N 2 1 342.487 2.532 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039308777 1315712230 /nfs/dbraw/zinc/71/22/30/1315712230.db2.gz NENIZEACEUTTJZ-RAFMOHDBSA-N 2 1 345.531 2.776 20 30 EFEDMP COc1cc(C#N)ccc1OC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527983 1315719342 /nfs/dbraw/zinc/71/93/42/1315719342.db2.gz AGNFKZFZFGQGBO-KRWDZBQOSA-N 2 1 343.471 2.894 20 30 EFEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662396 1315736734 /nfs/dbraw/zinc/73/67/34/1315736734.db2.gz GGGCQEJCOKOQAH-UEDWAMCQSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662396 1315736735 /nfs/dbraw/zinc/73/67/35/1315736735.db2.gz GGGCQEJCOKOQAH-UEDWAMCQSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662396 1315736738 /nfs/dbraw/zinc/73/67/38/1315736738.db2.gz GGGCQEJCOKOQAH-UEDWAMCQSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662396 1315736741 /nfs/dbraw/zinc/73/67/41/1315736741.db2.gz GGGCQEJCOKOQAH-UEDWAMCQSA-N 2 1 341.503 2.749 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315740993 /nfs/dbraw/zinc/74/09/93/1315740993.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315740995 /nfs/dbraw/zinc/74/09/95/1315740995.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315740999 /nfs/dbraw/zinc/74/09/99/1315740999.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207369 1315750053 /nfs/dbraw/zinc/75/00/53/1315750053.db2.gz NKIDPJSKAMMXBK-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382826 1315753030 /nfs/dbraw/zinc/75/30/30/1315753030.db2.gz NFHSIBYFUZLHQX-SJORKVTESA-N 2 1 345.512 2.512 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382826 1315753032 /nfs/dbraw/zinc/75/30/32/1315753032.db2.gz NFHSIBYFUZLHQX-SJORKVTESA-N 2 1 345.512 2.512 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388294 1315757333 /nfs/dbraw/zinc/75/73/33/1315757333.db2.gz KVQLVSYWOPFELB-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388294 1315757337 /nfs/dbraw/zinc/75/73/37/1315757337.db2.gz KVQLVSYWOPFELB-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388294 1315757340 /nfs/dbraw/zinc/75/73/40/1315757340.db2.gz KVQLVSYWOPFELB-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392210 1315758960 /nfs/dbraw/zinc/75/89/60/1315758960.db2.gz HPKGFVGVYKJYDK-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039397961 1315764417 /nfs/dbraw/zinc/76/44/17/1315764417.db2.gz IIEDAHVLOPZFOF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397961 1315764419 /nfs/dbraw/zinc/76/44/19/1315764419.db2.gz IIEDAHVLOPZFOF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397961 1315764422 /nfs/dbraw/zinc/76/44/22/1315764422.db2.gz IIEDAHVLOPZFOF-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039397968 1315764496 /nfs/dbraw/zinc/76/44/96/1315764496.db2.gz IMNFQMIILSAQNI-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397968 1315764498 /nfs/dbraw/zinc/76/44/98/1315764498.db2.gz IMNFQMIILSAQNI-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397968 1315764500 /nfs/dbraw/zinc/76/45/00/1315764500.db2.gz IMNFQMIILSAQNI-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144161 1315782343 /nfs/dbraw/zinc/78/23/43/1315782343.db2.gz QUGLPJXVALQTQV-WKCHPHFGSA-N 2 1 325.500 2.986 20 30 EFEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144161 1315782346 /nfs/dbraw/zinc/78/23/46/1315782346.db2.gz QUGLPJXVALQTQV-WKCHPHFGSA-N 2 1 325.500 2.986 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563464 1315782580 /nfs/dbraw/zinc/78/25/80/1315782580.db2.gz KWWDWVFLKGDDNH-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425414 1315784295 /nfs/dbraw/zinc/78/42/95/1315784295.db2.gz BMGVULYYAMFQSE-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425414 1315784297 /nfs/dbraw/zinc/78/42/97/1315784297.db2.gz BMGVULYYAMFQSE-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP CC[C@@H](CC#N)[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001255172299 1315787007 /nfs/dbraw/zinc/78/70/07/1315787007.db2.gz MSHIMLHKLMRZPY-IBGZPJMESA-N 2 1 342.487 2.688 20 30 EFEDMP CC[C@@H](CC#N)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255172299 1315787008 /nfs/dbraw/zinc/78/70/08/1315787008.db2.gz MSHIMLHKLMRZPY-IBGZPJMESA-N 2 1 342.487 2.688 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447864 1315797743 /nfs/dbraw/zinc/79/77/43/1315797743.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447864 1315797746 /nfs/dbraw/zinc/79/77/46/1315797746.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447864 1315797749 /nfs/dbraw/zinc/79/77/49/1315797749.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458041 1315805129 /nfs/dbraw/zinc/80/51/29/1315805129.db2.gz CDFZHHHLXUSGTR-AABGKKOBSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001039458376 1315805175 /nfs/dbraw/zinc/80/51/75/1315805175.db2.gz SLRKRIRXLSWIGY-DYXWJJEUSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001039458376 1315805177 /nfs/dbraw/zinc/80/51/77/1315805177.db2.gz SLRKRIRXLSWIGY-DYXWJJEUSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474464 1315817569 /nfs/dbraw/zinc/81/75/69/1315817569.db2.gz JJBNZVBIFFHVFX-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474463 1315817596 /nfs/dbraw/zinc/81/75/96/1315817596.db2.gz JJBNZVBIFFHVFX-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256073763 1315900314 /nfs/dbraw/zinc/90/03/14/1315900314.db2.gz YOOJBPQWRUPKCR-FQEVSTJZSA-N 2 1 347.503 2.724 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256073763 1315900317 /nfs/dbraw/zinc/90/03/17/1315900317.db2.gz YOOJBPQWRUPKCR-FQEVSTJZSA-N 2 1 347.503 2.724 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001256623327 1315970740 /nfs/dbraw/zinc/97/07/40/1315970740.db2.gz NXIPIUMYHFEOTJ-WMWLNJEOSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001256623327 1315970743 /nfs/dbraw/zinc/97/07/43/1315970743.db2.gz NXIPIUMYHFEOTJ-WMWLNJEOSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001256623327 1315970744 /nfs/dbraw/zinc/97/07/44/1315970744.db2.gz NXIPIUMYHFEOTJ-WMWLNJEOSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652217 1315975552 /nfs/dbraw/zinc/97/55/52/1315975552.db2.gz VTRSACUZDGCLRJ-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652217 1315975554 /nfs/dbraw/zinc/97/55/54/1315975554.db2.gz VTRSACUZDGCLRJ-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652217 1315975560 /nfs/dbraw/zinc/97/55/60/1315975560.db2.gz VTRSACUZDGCLRJ-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCOCc1nn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2c1C[NH2+]C2 ZINC001256916389 1316009689 /nfs/dbraw/zinc/00/96/89/1316009689.db2.gz QBEGEHCJOCCTCH-MRXNPFEDSA-N 2 1 330.476 2.768 20 30 EFEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257212961 1316047027 /nfs/dbraw/zinc/04/70/27/1316047027.db2.gz FTLMGGDJPOVGIK-UHFFFAOYSA-N 2 1 335.492 2.580 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213147 1316047249 /nfs/dbraw/zinc/04/72/49/1316047249.db2.gz HTSSBZDMIKYFGS-FQEVSTJZSA-N 2 1 349.519 2.970 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213147 1316047251 /nfs/dbraw/zinc/04/72/51/1316047251.db2.gz HTSSBZDMIKYFGS-FQEVSTJZSA-N 2 1 349.519 2.970 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC001258137042 1316123595 /nfs/dbraw/zinc/12/35/95/1316123595.db2.gz BVXBECQSSNBIGV-NRFANRHFSA-N 2 1 327.516 2.934 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202099 1316140445 /nfs/dbraw/zinc/14/04/45/1316140445.db2.gz PRIGENCCCRXKSO-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202099 1316140446 /nfs/dbraw/zinc/14/04/46/1316140446.db2.gz PRIGENCCCRXKSO-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202099 1316140447 /nfs/dbraw/zinc/14/04/47/1316140447.db2.gz PRIGENCCCRXKSO-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229614 1316154071 /nfs/dbraw/zinc/15/40/71/1316154071.db2.gz UTGGPZWDNAZUII-LJQANCHMSA-N 2 1 347.528 2.924 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233371 1316156955 /nfs/dbraw/zinc/15/69/55/1316156955.db2.gz ZCBHCMZWRWWAIX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233371 1316156957 /nfs/dbraw/zinc/15/69/57/1316156957.db2.gz ZCBHCMZWRWWAIX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233371 1316156959 /nfs/dbraw/zinc/15/69/59/1316156959.db2.gz ZCBHCMZWRWWAIX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235394 1316157704 /nfs/dbraw/zinc/15/77/04/1316157704.db2.gz BNIMBTNMKRMRSL-KRWDZBQOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235394 1316157706 /nfs/dbraw/zinc/15/77/06/1316157706.db2.gz BNIMBTNMKRMRSL-KRWDZBQOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240857 1316160712 /nfs/dbraw/zinc/16/07/12/1316160712.db2.gz KACNOSAEDALYEE-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240857 1316160715 /nfs/dbraw/zinc/16/07/15/1316160715.db2.gz KACNOSAEDALYEE-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240857 1316160719 /nfs/dbraw/zinc/16/07/19/1316160719.db2.gz KACNOSAEDALYEE-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244013 1316163476 /nfs/dbraw/zinc/16/34/76/1316163476.db2.gz FMLTWIIMBZHMHG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244013 1316163477 /nfs/dbraw/zinc/16/34/77/1316163477.db2.gz FMLTWIIMBZHMHG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244013 1316163480 /nfs/dbraw/zinc/16/34/80/1316163480.db2.gz FMLTWIIMBZHMHG-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774041 1316177235 /nfs/dbraw/zinc/17/72/35/1316177235.db2.gz UQMIEMCSVAFFEH-PMACEKPBSA-N 2 1 336.520 2.935 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277270 1316180217 /nfs/dbraw/zinc/18/02/17/1316180217.db2.gz ZWQVLTSUNRWORL-HXUWFJFHSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279955 1316180980 /nfs/dbraw/zinc/18/09/80/1316180980.db2.gz BNLLNWGRCBSFJJ-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347651 1316213859 /nfs/dbraw/zinc/21/38/59/1316213859.db2.gz LRKLBLRCVLLGMM-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347651 1316213861 /nfs/dbraw/zinc/21/38/61/1316213861.db2.gz LRKLBLRCVLLGMM-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347651 1316213862 /nfs/dbraw/zinc/21/38/62/1316213862.db2.gz LRKLBLRCVLLGMM-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239032 /nfs/dbraw/zinc/23/90/32/1316239032.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239035 /nfs/dbraw/zinc/23/90/35/1316239035.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239037 /nfs/dbraw/zinc/23/90/37/1316239037.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432674 1316262622 /nfs/dbraw/zinc/26/26/22/1316262622.db2.gz PQHRLQKWIIEGKQ-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433249 1316263411 /nfs/dbraw/zinc/26/34/11/1316263411.db2.gz VCCJJENGBATMEM-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465525 1316281458 /nfs/dbraw/zinc/28/14/58/1316281458.db2.gz ZNUONEQQCBMHQT-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492684 1316291526 /nfs/dbraw/zinc/29/15/26/1316291526.db2.gz DFKZHAVUFNJSPS-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492684 1316291528 /nfs/dbraw/zinc/29/15/28/1316291528.db2.gz DFKZHAVUFNJSPS-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492684 1316291529 /nfs/dbraw/zinc/29/15/29/1316291529.db2.gz DFKZHAVUFNJSPS-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545576 1316316462 /nfs/dbraw/zinc/31/64/62/1316316462.db2.gz RDGMYIXXXODVHA-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545578 1316316769 /nfs/dbraw/zinc/31/67/69/1316316769.db2.gz RDGMYIXXXODVHA-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545957 1316317277 /nfs/dbraw/zinc/31/72/77/1316317277.db2.gz ZMSZRIRGRFYPDM-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040702735 1316354955 /nfs/dbraw/zinc/35/49/55/1316354955.db2.gz YIQQLWXQDWMNQD-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040702740 1316355198 /nfs/dbraw/zinc/35/51/98/1316355198.db2.gz YIQQLWXQDWMNQD-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726599 1316360709 /nfs/dbraw/zinc/36/07/09/1316360709.db2.gz LUQMNEHGLGUAGQ-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726565 1316360966 /nfs/dbraw/zinc/36/09/66/1316360966.db2.gz KZCQHNCDZMSLOB-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745549 1316365707 /nfs/dbraw/zinc/36/57/07/1316365707.db2.gz OEARKRPDRHLDLU-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822165 1316382420 /nfs/dbraw/zinc/38/24/20/1316382420.db2.gz KRIGTFMWBYTDOZ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847475 1316388254 /nfs/dbraw/zinc/38/82/54/1316388254.db2.gz QCIOWWGKYUYKFR-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040883264 1316397274 /nfs/dbraw/zinc/39/72/74/1316397274.db2.gz MCNUCSMQPLZSEP-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300941 1316507036 /nfs/dbraw/zinc/50/70/36/1316507036.db2.gz KPYXSROTGAMEJK-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300941 1316507038 /nfs/dbraw/zinc/50/70/38/1316507038.db2.gz KPYXSROTGAMEJK-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041301705 1316507121 /nfs/dbraw/zinc/50/71/21/1316507121.db2.gz PPEHVFKCFGKVCL-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301705 1316507124 /nfs/dbraw/zinc/50/71/24/1316507124.db2.gz PPEHVFKCFGKVCL-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301705 1316507127 /nfs/dbraw/zinc/50/71/27/1316507127.db2.gz PPEHVFKCFGKVCL-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301529 1316507284 /nfs/dbraw/zinc/50/72/84/1316507284.db2.gz NGRRYQZMAACWJA-QFBILLFUSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301529 1316507288 /nfs/dbraw/zinc/50/72/88/1316507288.db2.gz NGRRYQZMAACWJA-QFBILLFUSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348664 1316523329 /nfs/dbraw/zinc/52/33/29/1316523329.db2.gz KWUIVBDGWBALHX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348664 1316523330 /nfs/dbraw/zinc/52/33/30/1316523330.db2.gz KWUIVBDGWBALHX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348664 1316523331 /nfs/dbraw/zinc/52/33/31/1316523331.db2.gz KWUIVBDGWBALHX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358029 1316527214 /nfs/dbraw/zinc/52/72/14/1316527214.db2.gz KPCQSGFYBGWEOK-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358029 1316527216 /nfs/dbraw/zinc/52/72/16/1316527216.db2.gz KPCQSGFYBGWEOK-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358029 1316527218 /nfs/dbraw/zinc/52/72/18/1316527218.db2.gz KPCQSGFYBGWEOK-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357965 1316527370 /nfs/dbraw/zinc/52/73/70/1316527370.db2.gz JRBPJFZBRLYAMR-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357965 1316527373 /nfs/dbraw/zinc/52/73/73/1316527373.db2.gz JRBPJFZBRLYAMR-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357965 1316527376 /nfs/dbraw/zinc/52/73/76/1316527376.db2.gz JRBPJFZBRLYAMR-FPOVZHCZSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041369677 1316530560 /nfs/dbraw/zinc/53/05/60/1316530560.db2.gz BHQSAYKLHVITFE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369677 1316530563 /nfs/dbraw/zinc/53/05/63/1316530563.db2.gz BHQSAYKLHVITFE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369677 1316530565 /nfs/dbraw/zinc/53/05/65/1316530565.db2.gz BHQSAYKLHVITFE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369677 1316530567 /nfs/dbraw/zinc/53/05/67/1316530567.db2.gz BHQSAYKLHVITFE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371087 1316530821 /nfs/dbraw/zinc/53/08/21/1316530821.db2.gz KCGGVEVCDAUKLL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371087 1316530823 /nfs/dbraw/zinc/53/08/23/1316530823.db2.gz KCGGVEVCDAUKLL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371087 1316530825 /nfs/dbraw/zinc/53/08/25/1316530825.db2.gz KCGGVEVCDAUKLL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041394388 1316537108 /nfs/dbraw/zinc/53/71/08/1316537108.db2.gz DNFNIJHABMSFFF-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549014 /nfs/dbraw/zinc/54/90/14/1316549014.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549016 /nfs/dbraw/zinc/54/90/16/1316549016.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549017 /nfs/dbraw/zinc/54/90/17/1316549017.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536210 1316580427 /nfs/dbraw/zinc/58/04/27/1316580427.db2.gz NFCAIEHIUJGHQJ-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536210 1316580428 /nfs/dbraw/zinc/58/04/28/1316580428.db2.gz NFCAIEHIUJGHQJ-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591188 1316611629 /nfs/dbraw/zinc/61/16/29/1316611629.db2.gz XSFNKJSSFPRDHX-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591188 1316611630 /nfs/dbraw/zinc/61/16/30/1316611630.db2.gz XSFNKJSSFPRDHX-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591188 1316611633 /nfs/dbraw/zinc/61/16/33/1316611633.db2.gz XSFNKJSSFPRDHX-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001041676658 1316645446 /nfs/dbraw/zinc/64/54/46/1316645446.db2.gz YYFYSCRYGVWNPT-OAQYLSRUSA-N 2 1 341.499 2.515 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041777083 1316692944 /nfs/dbraw/zinc/69/29/44/1316692944.db2.gz HICCIYXCKJPMEB-NRFANRHFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843372 1316730323 /nfs/dbraw/zinc/73/03/23/1316730323.db2.gz QYYXNUFQOBYXHP-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844955 1316731225 /nfs/dbraw/zinc/73/12/25/1316731225.db2.gz QGIGWUIXBMPNTG-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845965 1316732094 /nfs/dbraw/zinc/73/20/94/1316732094.db2.gz UJCAUVGEVHIOHU-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042086022 1316869863 /nfs/dbraw/zinc/86/98/63/1316869863.db2.gz UJIAFFUPCGVDND-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042086022 1316869865 /nfs/dbraw/zinc/86/98/65/1316869865.db2.gz UJIAFFUPCGVDND-WBVHZDCISA-N 2 1 347.528 2.922 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894503 /nfs/dbraw/zinc/89/45/03/1316894503.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894507 /nfs/dbraw/zinc/89/45/07/1316894507.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894510 /nfs/dbraw/zinc/89/45/10/1316894510.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133169 1316900316 /nfs/dbraw/zinc/90/03/16/1316900316.db2.gz IPIYJMCIBOQMPU-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136372 1316902731 /nfs/dbraw/zinc/90/27/31/1316902731.db2.gz UIXRRATUGDKPRV-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136375 1316903124 /nfs/dbraw/zinc/90/31/24/1316903124.db2.gz UIXRRATUGDKPRV-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252818 1317036941 /nfs/dbraw/zinc/03/69/41/1317036941.db2.gz NTRKCAZDRIXJPW-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252818 1317036949 /nfs/dbraw/zinc/03/69/49/1317036949.db2.gz NTRKCAZDRIXJPW-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254277 1317039607 /nfs/dbraw/zinc/03/96/07/1317039607.db2.gz JUUXUFOYRZWBDK-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254277 1317039613 /nfs/dbraw/zinc/03/96/13/1317039613.db2.gz JUUXUFOYRZWBDK-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254278 1317040391 /nfs/dbraw/zinc/04/03/91/1317040391.db2.gz JUUXUFOYRZWBDK-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254278 1317040399 /nfs/dbraw/zinc/04/03/99/1317040399.db2.gz JUUXUFOYRZWBDK-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268681 1317066584 /nfs/dbraw/zinc/06/65/84/1317066584.db2.gz FJZYZSGZAIBICJ-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296881 1317108373 /nfs/dbraw/zinc/10/83/73/1317108373.db2.gz IDIAHWQXTHDOGB-IEBWSBKVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042307887 1317129417 /nfs/dbraw/zinc/12/94/17/1317129417.db2.gz QEHBEYCSXVQXJV-AZUAARDMSA-N 2 1 345.531 2.607 20 30 EFEDMP N#Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279233256 1317213521 /nfs/dbraw/zinc/21/35/21/1317213521.db2.gz MBCSTTNVMPMEPK-UHFFFAOYSA-N 2 1 349.482 2.743 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365841 1317218731 /nfs/dbraw/zinc/21/87/31/1317218731.db2.gz RCQXROJKQDCPAQ-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368146 1317222309 /nfs/dbraw/zinc/22/23/09/1317222309.db2.gz ONRRUFFYFTYXON-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369234 1317225114 /nfs/dbraw/zinc/22/51/14/1317225114.db2.gz VALNDHDKUDGVAW-XLIONFOSSA-N 2 1 341.499 2.861 20 30 EFEDMP N#CCc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279375709 1317250146 /nfs/dbraw/zinc/25/01/46/1317250146.db2.gz GMUVPGZDEPMTNY-OYRHEFFESA-N 2 1 349.482 2.820 20 30 EFEDMP N#CCc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279375709 1317250156 /nfs/dbraw/zinc/25/01/56/1317250156.db2.gz GMUVPGZDEPMTNY-OYRHEFFESA-N 2 1 349.482 2.820 20 30 EFEDMP N#CCc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279375709 1317250163 /nfs/dbraw/zinc/25/01/63/1317250163.db2.gz GMUVPGZDEPMTNY-OYRHEFFESA-N 2 1 349.482 2.820 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279696571 1317364901 /nfs/dbraw/zinc/36/49/01/1317364901.db2.gz AIKIDPXZHDBVTA-OYRHEFFESA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279696571 1317364907 /nfs/dbraw/zinc/36/49/07/1317364907.db2.gz AIKIDPXZHDBVTA-OYRHEFFESA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279696571 1317364916 /nfs/dbraw/zinc/36/49/16/1317364916.db2.gz AIKIDPXZHDBVTA-OYRHEFFESA-N 2 1 349.482 2.934 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001335986083 1331424305 /nfs/dbraw/zinc/42/43/05/1331424305.db2.gz JBOYOKWLVVYJOO-QFIPXVFZSA-N 2 1 336.479 2.821 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089917 1332137979 /nfs/dbraw/zinc/13/79/79/1332137979.db2.gz HFKVJLQLDAMCBM-RTBURBONSA-N 2 1 329.488 2.651 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616453 1332271286 /nfs/dbraw/zinc/27/12/86/1332271286.db2.gz YTTUIMMSEKGXRG-YTQUADARSA-N 2 1 329.488 2.697 20 30 EFEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001345606885 1332552627 /nfs/dbraw/zinc/55/26/27/1332552627.db2.gz RSNGSHZZJKFNDD-QGZVFWFLSA-N 2 1 342.487 2.989 20 30 EFEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001757267 1333447872 /nfs/dbraw/zinc/44/78/72/1333447872.db2.gz QSIZUQTUIXSRHV-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CC(C)C)CC2)CC1 ZINC000847399457 1333661331 /nfs/dbraw/zinc/66/13/31/1333661331.db2.gz QOGLDFFLZMSAAV-UHFFFAOYSA-N 2 1 348.535 2.581 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001926013 1333752118 /nfs/dbraw/zinc/75/21/18/1333752118.db2.gz SQTGCQONQCQXIE-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001926013 1333752120 /nfs/dbraw/zinc/75/21/20/1333752120.db2.gz SQTGCQONQCQXIE-DLBZAZTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577884 1334139015 /nfs/dbraw/zinc/13/90/15/1334139015.db2.gz IVGMMLNSZSLOAT-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643847 1334260149 /nfs/dbraw/zinc/26/01/49/1334260149.db2.gz FNYDSVBDECYORG-MRXNPFEDSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729597 1334686050 /nfs/dbraw/zinc/68/60/50/1334686050.db2.gz FQJUQOHHYIPNPS-UHFFFAOYSA-N 2 1 338.883 2.634 20 30 EFEDMP c1ccc(NC(=[NH+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)N2CCCCC2)cc1 ZINC000849073967 1335069393 /nfs/dbraw/zinc/06/93/93/1335069393.db2.gz SHJFOXQNDKZQCE-RBUKOAKNSA-N 2 1 342.487 2.804 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849076317 1335070150 /nfs/dbraw/zinc/07/01/50/1335070150.db2.gz GGWSXZXKHQMENX-QGZVFWFLSA-N 2 1 332.492 2.989 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849076316 1335070265 /nfs/dbraw/zinc/07/02/65/1335070265.db2.gz GGWSXZXKHQMENX-KRWDZBQOSA-N 2 1 332.492 2.989 20 30 EFEDMP c1ccc(NC(=[NH+]CC[N@@H+]2CCCOCC2)N2CCCCC2)cc1 ZINC000849108471 1335553264 /nfs/dbraw/zinc/55/32/64/1335553264.db2.gz NIFZCDFLBPYCBT-UHFFFAOYSA-N 2 1 330.476 2.663 20 30 EFEDMP c1ccc(NC(=[NH+]CC[N@H+]2CCCOCC2)N2CCCCC2)cc1 ZINC000849108471 1335553267 /nfs/dbraw/zinc/55/32/67/1335553267.db2.gz NIFZCDFLBPYCBT-UHFFFAOYSA-N 2 1 330.476 2.663 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939247987 1335881387 /nfs/dbraw/zinc/88/13/87/1335881387.db2.gz UMUPCGRSPDRGJY-UKRRQHHQSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234591 1337468180 /nfs/dbraw/zinc/46/81/80/1337468180.db2.gz XDAOOTLPEPIBDR-IAGOWNOFSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368769669 1339694745 /nfs/dbraw/zinc/69/47/45/1339694745.db2.gz GTYVSSXJHREGJI-QGZVFWFLSA-N 2 1 343.943 2.886 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375174545 1342490289 /nfs/dbraw/zinc/49/02/89/1342490289.db2.gz FVFTYYPHCMTLML-CVEARBPZSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001375292895 1342600054 /nfs/dbraw/zinc/60/00/54/1342600054.db2.gz YWADZBRALDQTGO-CVEARBPZSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001375593303 1342910904 /nfs/dbraw/zinc/91/09/04/1342910904.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001375593303 1342910907 /nfs/dbraw/zinc/91/09/07/1342910907.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001375593303 1342910908 /nfs/dbraw/zinc/91/09/08/1342910908.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001378493060 1345121894 /nfs/dbraw/zinc/12/18/94/1345121894.db2.gz HALYRKAMTPMKDS-KRWDZBQOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001380860682 1347920382 /nfs/dbraw/zinc/92/03/82/1347920382.db2.gz LYZUMGKQSRUVBD-INIZCTEOSA-N 2 1 339.911 2.774 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001381134580 1348101294 /nfs/dbraw/zinc/10/12/94/1348101294.db2.gz NZBGFRUIWFECKD-HUUCEWRRSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001381134580 1348101296 /nfs/dbraw/zinc/10/12/96/1348101296.db2.gz NZBGFRUIWFECKD-HUUCEWRRSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060669 1387390779 /nfs/dbraw/zinc/39/07/79/1387390779.db2.gz RDYFMZVZMNPELZ-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001399280399 1361120184 /nfs/dbraw/zinc/12/01/84/1361120184.db2.gz CXEVMRWPGYNQEN-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001399280399 1361120187 /nfs/dbraw/zinc/12/01/87/1361120187.db2.gz CXEVMRWPGYNQEN-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001399280399 1361120189 /nfs/dbraw/zinc/12/01/89/1361120189.db2.gz CXEVMRWPGYNQEN-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001399280399 1361120191 /nfs/dbraw/zinc/12/01/91/1361120191.db2.gz CXEVMRWPGYNQEN-OAHLLOKOSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001399957544 1361611784 /nfs/dbraw/zinc/61/17/84/1361611784.db2.gz SIBMLNHCIJYXCT-KRWDZBQOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001399957544 1361611789 /nfs/dbraw/zinc/61/17/89/1361611789.db2.gz SIBMLNHCIJYXCT-KRWDZBQOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001399957544 1361611792 /nfs/dbraw/zinc/61/17/92/1361611792.db2.gz SIBMLNHCIJYXCT-KRWDZBQOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001399957544 1361611797 /nfs/dbraw/zinc/61/17/97/1361611797.db2.gz SIBMLNHCIJYXCT-KRWDZBQOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001402031712 1363343658 /nfs/dbraw/zinc/34/36/58/1363343658.db2.gz MEJVSPGOOISTQK-ZBFHGGJFSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064570 1363371301 /nfs/dbraw/zinc/37/13/01/1363371301.db2.gz ZMHNBNLPQNORTN-LSDHHAIUSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809775 1364057181 /nfs/dbraw/zinc/05/71/81/1364057181.db2.gz CRLQVKYEVYKKKK-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809775 1364057185 /nfs/dbraw/zinc/05/71/85/1364057185.db2.gz CRLQVKYEVYKKKK-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001402889496 1364111581 /nfs/dbraw/zinc/11/15/81/1364111581.db2.gz LIHIIKYIMUEKHY-UHFFFAOYSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001402889496 1364111585 /nfs/dbraw/zinc/11/15/85/1364111585.db2.gz LIHIIKYIMUEKHY-UHFFFAOYSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001403282991 1364497046 /nfs/dbraw/zinc/49/70/46/1364497046.db2.gz OLFKRMVKFJTQJC-ROUUACIJSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001403282991 1364497049 /nfs/dbraw/zinc/49/70/49/1364497049.db2.gz OLFKRMVKFJTQJC-ROUUACIJSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001405986069 1367054117 /nfs/dbraw/zinc/05/41/17/1367054117.db2.gz DEWUBBZWNFYGOK-QGZVFWFLSA-N 2 1 343.943 2.886 20 30 EFEDMP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001406998092 1368299605 /nfs/dbraw/zinc/29/96/05/1368299605.db2.gz BGQRSXNLOFBILA-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001406998092 1368299609 /nfs/dbraw/zinc/29/96/09/1368299609.db2.gz BGQRSXNLOFBILA-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001406998092 1368299621 /nfs/dbraw/zinc/29/96/21/1368299621.db2.gz BGQRSXNLOFBILA-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001419422407 1375253503 /nfs/dbraw/zinc/25/35/03/1375253503.db2.gz HRZGLCFJPAWQSV-BRWVUGGUSA-N 2 1 335.879 2.669 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001419831252 1375951978 /nfs/dbraw/zinc/95/19/78/1375951978.db2.gz NQVDLNPABBUUCI-HZPDHXFCSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001420017812 1376291335 /nfs/dbraw/zinc/29/13/35/1376291335.db2.gz KTGJNSRKCCOMIC-HZPDHXFCSA-N 2 1 338.883 2.741 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001421020443 1378032149 /nfs/dbraw/zinc/03/21/49/1378032149.db2.gz RUCJUOMXOXXMJH-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001438394090 1388558350 /nfs/dbraw/zinc/55/83/50/1388558350.db2.gz FAOSKJMMGGTRGY-UHFFFAOYSA-N 2 1 338.883 2.743 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001421732894 1379051946 /nfs/dbraw/zinc/05/19/46/1379051946.db2.gz SVYVBITZUKBUNY-WMLDXEAASA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001422420776 1380067755 /nfs/dbraw/zinc/06/77/55/1380067755.db2.gz JTRYLFFWAKUSQO-UHFFFAOYSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327740 1381789503 /nfs/dbraw/zinc/78/95/03/1381789503.db2.gz UGRGMKFYBXJNPI-KRWDZBQOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001423339996 1381807905 /nfs/dbraw/zinc/80/79/05/1381807905.db2.gz WEDCACMZQYOZJF-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001423702566 1382319383 /nfs/dbraw/zinc/31/93/83/1382319383.db2.gz IJAIFYSLBMQQQO-SFHVURJKSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001423702566 1382319389 /nfs/dbraw/zinc/31/93/89/1382319389.db2.gz IJAIFYSLBMQQQO-SFHVURJKSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001424194449 1382849031 /nfs/dbraw/zinc/84/90/31/1382849031.db2.gz AKAHYCDRMLUIRT-HNNXBMFYSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001440354747 1389559984 /nfs/dbraw/zinc/55/99/84/1389559984.db2.gz MYBKIRATDYLIIT-INIZCTEOSA-N 2 1 335.879 2.670 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001440890453 1389982303 /nfs/dbraw/zinc/98/23/03/1389982303.db2.gz VGBRXIRERSBXJE-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001447964526 1391860328 /nfs/dbraw/zinc/86/03/28/1391860328.db2.gz MLCYONVILOIARW-MRXNPFEDSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479311703 1397677731 /nfs/dbraw/zinc/67/77/31/1397677731.db2.gz ZTBGUZXOYDCZFR-IYBDPMFKSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505819942 1405107830 /nfs/dbraw/zinc/10/78/30/1405107830.db2.gz DKCBEFAVAROYBT-MRXNPFEDSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118418 712912609 /nfs/dbraw/zinc/91/26/09/712912609.db2.gz OMAOKABPRJOCQV-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118418 712912610 /nfs/dbraw/zinc/91/26/10/712912610.db2.gz OMAOKABPRJOCQV-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155844 712942358 /nfs/dbraw/zinc/94/23/58/712942358.db2.gz DLALQTOBKSSDFY-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(=C)C)CC1 ZINC000969156201 712943270 /nfs/dbraw/zinc/94/32/70/712943270.db2.gz MDUQFFUCLJKFPX-HXUWFJFHSA-N 2 1 345.531 2.659 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723198 717892196 /nfs/dbraw/zinc/89/21/96/717892196.db2.gz SMLADAYKYBRQTB-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000383177169 713070236 /nfs/dbraw/zinc/07/02/36/713070236.db2.gz OVYZUAUQLBSZMX-SJORKVTESA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000383177169 713070239 /nfs/dbraw/zinc/07/02/39/713070239.db2.gz OVYZUAUQLBSZMX-SJORKVTESA-N 2 1 337.508 2.615 20 30 EFEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679600 713214401 /nfs/dbraw/zinc/21/44/01/713214401.db2.gz HAJHYDBRRAJEIF-SJORKVTESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326242 713636472 /nfs/dbraw/zinc/63/64/72/713636472.db2.gz OLYLJAVHTDFIAT-QFBILLFUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000980224522 717924837 /nfs/dbraw/zinc/92/48/37/717924837.db2.gz ZYQCWJFLUPLOEB-UFYCRDLUSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980214249 717927061 /nfs/dbraw/zinc/92/70/61/717927061.db2.gz FASOLDHIAIBBDT-FHWLQOOXSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980216145 717928924 /nfs/dbraw/zinc/92/89/24/717928924.db2.gz QNIANKLTLDOITF-YESZJQIVSA-N 2 1 342.487 2.554 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980216379 717930076 /nfs/dbraw/zinc/93/00/76/717930076.db2.gz JOYVPDCYNSGCMB-UFYCRDLUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620430 714188753 /nfs/dbraw/zinc/18/87/53/714188753.db2.gz UGXITPMUOMGGJH-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622023 714191477 /nfs/dbraw/zinc/19/14/77/714191477.db2.gz GUKZNWKCCQHVBV-MJGOQNOKSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634996 714212951 /nfs/dbraw/zinc/21/29/51/714212951.db2.gz GZJSMLGRXQCNHT-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571011 717961745 /nfs/dbraw/zinc/96/17/45/717961745.db2.gz QQYAQTDYUHFZGO-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571340 717962712 /nfs/dbraw/zinc/96/27/12/717962712.db2.gz YDOHAGIJVNJFJB-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681628 714294434 /nfs/dbraw/zinc/29/44/34/714294434.db2.gz HYRPGEUGFUNXIQ-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021681628 714294436 /nfs/dbraw/zinc/29/44/36/714294436.db2.gz HYRPGEUGFUNXIQ-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682008 714295800 /nfs/dbraw/zinc/29/58/00/714295800.db2.gz LMKGREJNNVEWLO-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682007 714295944 /nfs/dbraw/zinc/29/59/44/714295944.db2.gz LMKGREJNNVEWLO-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682826 714296650 /nfs/dbraw/zinc/29/66/50/714296650.db2.gz URXYZNAMCZRJNF-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682826 714296652 /nfs/dbraw/zinc/29/66/52/714296652.db2.gz URXYZNAMCZRJNF-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701247 714334808 /nfs/dbraw/zinc/33/48/08/714334808.db2.gz WORGIUBUYVCJPV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160723171 714450492 /nfs/dbraw/zinc/45/04/92/714450492.db2.gz UHPSTQZWCXDQKN-LLVKDONJSA-N 2 1 330.354 2.654 20 30 EFEDMP C=C(Cl)CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845643 714479533 /nfs/dbraw/zinc/47/95/33/714479533.db2.gz LILIURFMFSXCEB-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845643 714479535 /nfs/dbraw/zinc/47/95/35/714479535.db2.gz LILIURFMFSXCEB-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845643 714479538 /nfs/dbraw/zinc/47/95/38/714479538.db2.gz LILIURFMFSXCEB-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845643 714479540 /nfs/dbraw/zinc/47/95/40/714479540.db2.gz LILIURFMFSXCEB-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542128 714701148 /nfs/dbraw/zinc/70/11/48/714701148.db2.gz ZIZVAJMEYFGGJP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542128 714701149 /nfs/dbraw/zinc/70/11/49/714701149.db2.gz ZIZVAJMEYFGGJP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542128 714701151 /nfs/dbraw/zinc/70/11/51/714701151.db2.gz ZIZVAJMEYFGGJP-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681720 714882525 /nfs/dbraw/zinc/88/25/25/714882525.db2.gz GBVJCOCIUOKCFI-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971681720 714882528 /nfs/dbraw/zinc/88/25/28/714882528.db2.gz GBVJCOCIUOKCFI-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971681720 714882531 /nfs/dbraw/zinc/88/25/31/714882531.db2.gz GBVJCOCIUOKCFI-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971681720 714882533 /nfs/dbraw/zinc/88/25/33/714882533.db2.gz GBVJCOCIUOKCFI-HOTGVXAUSA-N 2 1 327.900 2.535 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022221081 714889175 /nfs/dbraw/zinc/88/91/75/714889175.db2.gz WZJSCZNZMIIZKS-ZCNNSNEGSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022221081 714889177 /nfs/dbraw/zinc/88/91/77/714889177.db2.gz WZJSCZNZMIIZKS-ZCNNSNEGSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000971703577 714894990 /nfs/dbraw/zinc/89/49/90/714894990.db2.gz ILMRODVBXWUPCS-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000971703577 714894994 /nfs/dbraw/zinc/89/49/94/714894994.db2.gz ILMRODVBXWUPCS-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC000971703577 714894995 /nfs/dbraw/zinc/89/49/95/714894995.db2.gz ILMRODVBXWUPCS-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC000971703577 714895000 /nfs/dbraw/zinc/89/50/00/714895000.db2.gz ILMRODVBXWUPCS-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617869 718027066 /nfs/dbraw/zinc/02/70/66/718027066.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617869 718027069 /nfs/dbraw/zinc/02/70/69/718027069.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617869 718027070 /nfs/dbraw/zinc/02/70/70/718027070.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615451 718028118 /nfs/dbraw/zinc/02/81/18/718028118.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947135 715369243 /nfs/dbraw/zinc/36/92/43/715369243.db2.gz NKFQCLZXTDBVEO-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947135 715369246 /nfs/dbraw/zinc/36/92/46/715369246.db2.gz NKFQCLZXTDBVEO-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947135 715369251 /nfs/dbraw/zinc/36/92/51/715369251.db2.gz NKFQCLZXTDBVEO-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038994 715443861 /nfs/dbraw/zinc/44/38/61/715443861.db2.gz MHJFTGMIGNLVJZ-KXBFYZLASA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038992 715444332 /nfs/dbraw/zinc/44/43/32/715444332.db2.gz MHJFTGMIGNLVJZ-HNAYVOBHSA-N 2 1 339.499 2.602 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000303710330 724416925 /nfs/dbraw/zinc/41/69/25/724416925.db2.gz OJABHMZWAVCDEO-AWEZNQCLSA-N 2 1 334.464 2.695 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001027417385 715739909 /nfs/dbraw/zinc/73/99/09/715739909.db2.gz XEUPYABQMNLCTL-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027417385 715739914 /nfs/dbraw/zinc/73/99/14/715739914.db2.gz XEUPYABQMNLCTL-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027417385 715739920 /nfs/dbraw/zinc/73/99/20/715739920.db2.gz XEUPYABQMNLCTL-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001027417386 715739942 /nfs/dbraw/zinc/73/99/42/715739942.db2.gz XEUPYABQMNLCTL-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027417386 715739947 /nfs/dbraw/zinc/73/99/47/715739947.db2.gz XEUPYABQMNLCTL-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027417386 715739951 /nfs/dbraw/zinc/73/99/51/715739951.db2.gz XEUPYABQMNLCTL-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434503 715791401 /nfs/dbraw/zinc/79/14/01/715791401.db2.gz RNMGEECIGONACF-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027434503 715791405 /nfs/dbraw/zinc/79/14/05/715791405.db2.gz RNMGEECIGONACF-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027434503 715791408 /nfs/dbraw/zinc/79/14/08/715791408.db2.gz RNMGEECIGONACF-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027434503 715791413 /nfs/dbraw/zinc/79/14/13/715791413.db2.gz RNMGEECIGONACF-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434505 715791612 /nfs/dbraw/zinc/79/16/12/715791612.db2.gz RNMGEECIGONACF-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027434505 715791617 /nfs/dbraw/zinc/79/16/17/715791617.db2.gz RNMGEECIGONACF-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027434505 715791622 /nfs/dbraw/zinc/79/16/22/715791622.db2.gz RNMGEECIGONACF-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027434505 715791626 /nfs/dbraw/zinc/79/16/26/715791626.db2.gz RNMGEECIGONACF-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443414 715817060 /nfs/dbraw/zinc/81/70/60/715817060.db2.gz LSOLQHUPCCVBFW-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027443414 715817064 /nfs/dbraw/zinc/81/70/64/715817064.db2.gz LSOLQHUPCCVBFW-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027443414 715817068 /nfs/dbraw/zinc/81/70/68/715817068.db2.gz LSOLQHUPCCVBFW-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027446557 715832616 /nfs/dbraw/zinc/83/26/16/715832616.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027446557 715832623 /nfs/dbraw/zinc/83/26/23/715832623.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027446557 715832628 /nfs/dbraw/zinc/83/26/28/715832628.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027446557 715832637 /nfs/dbraw/zinc/83/26/37/715832637.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027446557 715832644 /nfs/dbraw/zinc/83/26/44/715832644.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449781 715841803 /nfs/dbraw/zinc/84/18/03/715841803.db2.gz GZXGNWRRTKCWIS-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449781 715841804 /nfs/dbraw/zinc/84/18/04/715841804.db2.gz GZXGNWRRTKCWIS-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449781 715841808 /nfs/dbraw/zinc/84/18/08/715841808.db2.gz GZXGNWRRTKCWIS-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449781 715841810 /nfs/dbraw/zinc/84/18/10/715841810.db2.gz GZXGNWRRTKCWIS-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472099 715929882 /nfs/dbraw/zinc/92/98/82/715929882.db2.gz MZSZIKJXLYFMMU-KRWDZBQOSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472311 715931647 /nfs/dbraw/zinc/93/16/47/715931647.db2.gz ORYKCXKHZQLRAR-MRXNPFEDSA-N 2 1 346.862 2.932 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472311 715931650 /nfs/dbraw/zinc/93/16/50/715931650.db2.gz ORYKCXKHZQLRAR-MRXNPFEDSA-N 2 1 346.862 2.932 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972476683 715997352 /nfs/dbraw/zinc/99/73/52/715997352.db2.gz DETYGHDLHAFMNW-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972476683 715997355 /nfs/dbraw/zinc/99/73/55/715997355.db2.gz DETYGHDLHAFMNW-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492371 716032839 /nfs/dbraw/zinc/03/28/39/716032839.db2.gz NFQBSNLMWDUSPF-MRXNPFEDSA-N 2 1 332.835 2.623 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492371 716032847 /nfs/dbraw/zinc/03/28/47/716032847.db2.gz NFQBSNLMWDUSPF-MRXNPFEDSA-N 2 1 332.835 2.623 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518919 716199968 /nfs/dbraw/zinc/19/99/68/716199968.db2.gz BVTYUHHTOFJRJJ-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518919 716199970 /nfs/dbraw/zinc/19/99/70/716199970.db2.gz BVTYUHHTOFJRJJ-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647316 716306142 /nfs/dbraw/zinc/30/61/42/716306142.db2.gz NMAMFBFSLIPSQY-QUCCMNQESA-N 2 1 329.488 2.572 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413365 716437550 /nfs/dbraw/zinc/43/75/50/716437550.db2.gz DBJKFIGMXWXWDU-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413365 716437553 /nfs/dbraw/zinc/43/75/53/716437553.db2.gz DBJKFIGMXWXWDU-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413365 716437559 /nfs/dbraw/zinc/43/75/59/716437559.db2.gz DBJKFIGMXWXWDU-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469794 716507261 /nfs/dbraw/zinc/50/72/61/716507261.db2.gz NWPYLNZCFLBSHS-MRXNPFEDSA-N 2 1 326.444 2.742 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694098 716547622 /nfs/dbraw/zinc/54/76/22/716547622.db2.gz RVOAROTZBRSEDF-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694098 716547625 /nfs/dbraw/zinc/54/76/25/716547625.db2.gz RVOAROTZBRSEDF-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553258 716617626 /nfs/dbraw/zinc/61/76/26/716617626.db2.gz YKRYGWCDRFQAGX-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553258 716617627 /nfs/dbraw/zinc/61/76/27/716617627.db2.gz YKRYGWCDRFQAGX-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632865 716745772 /nfs/dbraw/zinc/74/57/72/716745772.db2.gz QOWRTCRROVJNHO-IRXDYDNUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632865 716745775 /nfs/dbraw/zinc/74/57/75/716745775.db2.gz QOWRTCRROVJNHO-IRXDYDNUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632865 716745782 /nfs/dbraw/zinc/74/57/82/716745782.db2.gz QOWRTCRROVJNHO-IRXDYDNUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632865 716745788 /nfs/dbraw/zinc/74/57/88/716745788.db2.gz QOWRTCRROVJNHO-IRXDYDNUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632866 716746327 /nfs/dbraw/zinc/74/63/27/716746327.db2.gz QOWRTCRROVJNHO-SJORKVTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632866 716746328 /nfs/dbraw/zinc/74/63/28/716746328.db2.gz QOWRTCRROVJNHO-SJORKVTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632866 716746329 /nfs/dbraw/zinc/74/63/29/716746329.db2.gz QOWRTCRROVJNHO-SJORKVTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632866 716746331 /nfs/dbraw/zinc/74/63/31/716746331.db2.gz QOWRTCRROVJNHO-SJORKVTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169933 716867539 /nfs/dbraw/zinc/86/75/39/716867539.db2.gz VLVGNCZWQVRSAZ-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169933 716867544 /nfs/dbraw/zinc/86/75/44/716867544.db2.gz VLVGNCZWQVRSAZ-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169933 716867549 /nfs/dbraw/zinc/86/75/49/716867549.db2.gz VLVGNCZWQVRSAZ-AFYVEPGGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000972702825 717127022 /nfs/dbraw/zinc/12/70/22/717127022.db2.gz ZDGMLXGBSJLGJT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972702825 717127025 /nfs/dbraw/zinc/12/70/25/717127025.db2.gz ZDGMLXGBSJLGJT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972702825 717127026 /nfs/dbraw/zinc/12/70/26/717127026.db2.gz ZDGMLXGBSJLGJT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972702825 717127029 /nfs/dbraw/zinc/12/70/29/717127029.db2.gz ZDGMLXGBSJLGJT-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490812 717343185 /nfs/dbraw/zinc/34/31/85/717343185.db2.gz MOKZYEUDJVDYJY-SJORKVTESA-N 2 1 335.879 2.575 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027942587 717369799 /nfs/dbraw/zinc/36/97/99/717369799.db2.gz DWVLTXLXWNILGA-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027944133 717378885 /nfs/dbraw/zinc/37/88/85/717378885.db2.gz VDLZJYBRNHDXGX-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@H]2C1 ZINC000979990880 717640438 /nfs/dbraw/zinc/64/04/38/717640438.db2.gz RTMXMFHNYAQBCF-OKZBNKHCSA-N 2 1 344.503 2.719 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154015 717810110 /nfs/dbraw/zinc/81/01/10/717810110.db2.gz FUUNGCRUXCVEQT-CGTJXYLNSA-N 2 1 345.487 2.748 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024488414 717811548 /nfs/dbraw/zinc/81/15/48/717811548.db2.gz YIDQOTUCUSKDBY-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885647 717834990 /nfs/dbraw/zinc/83/49/90/717834990.db2.gz HKOVTUUONBSTAT-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168368 717835206 /nfs/dbraw/zinc/83/52/06/717835206.db2.gz NKLLNIVNXKSGAB-BZSNNMDCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187667 717875830 /nfs/dbraw/zinc/87/58/30/717875830.db2.gz KGLODSWRJHNNMH-IPMKNSEASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187665 717876081 /nfs/dbraw/zinc/87/60/81/717876081.db2.gz KGLODSWRJHNNMH-FHWLQOOXSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652599 718061766 /nfs/dbraw/zinc/06/17/66/718061766.db2.gz QQPAIJNMNUOGLW-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751846 718134475 /nfs/dbraw/zinc/13/44/75/718134475.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751846 718134478 /nfs/dbraw/zinc/13/44/78/718134478.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751846 718134479 /nfs/dbraw/zinc/13/44/79/718134479.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811804 718175460 /nfs/dbraw/zinc/17/54/60/718175460.db2.gz ZSGKJEWQAZAZBR-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024987579 718249653 /nfs/dbraw/zinc/24/96/53/718249653.db2.gz NAQCZGQFZJIDEE-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024987579 718249656 /nfs/dbraw/zinc/24/96/56/718249656.db2.gz NAQCZGQFZJIDEE-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248848601 718289884 /nfs/dbraw/zinc/28/98/84/718289884.db2.gz SNMXZZMOMWOBFM-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000985497259 724495468 /nfs/dbraw/zinc/49/54/68/724495468.db2.gz UPJKNUVTPOHVBH-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000985497259 724495471 /nfs/dbraw/zinc/49/54/71/724495471.db2.gz UPJKNUVTPOHVBH-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000985497259 724495473 /nfs/dbraw/zinc/49/54/73/724495473.db2.gz UPJKNUVTPOHVBH-IRXDYDNUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240497 718460315 /nfs/dbraw/zinc/46/03/15/718460315.db2.gz PGAYXQJBZTXNAW-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241322 718461096 /nfs/dbraw/zinc/46/10/96/718461096.db2.gz WIVGWWJDJIRDHF-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241322 718461097 /nfs/dbraw/zinc/46/10/97/718461097.db2.gz WIVGWWJDJIRDHF-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241322 718461098 /nfs/dbraw/zinc/46/10/98/718461098.db2.gz WIVGWWJDJIRDHF-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248294 718469133 /nfs/dbraw/zinc/46/91/33/718469133.db2.gz YBMRKDILQDPCEF-RTBURBONSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258694 718474973 /nfs/dbraw/zinc/47/49/73/718474973.db2.gz IFOJSOWXXUSEMX-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258694 718474975 /nfs/dbraw/zinc/47/49/75/718474975.db2.gz IFOJSOWXXUSEMX-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258695 718475077 /nfs/dbraw/zinc/47/50/77/718475077.db2.gz IFOJSOWXXUSEMX-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258695 718475079 /nfs/dbraw/zinc/47/50/79/718475079.db2.gz IFOJSOWXXUSEMX-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197426 718485406 /nfs/dbraw/zinc/48/54/06/718485406.db2.gz AZGGLWXKBPXTQL-QGZVFWFLSA-N 2 1 332.492 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197426 718485408 /nfs/dbraw/zinc/48/54/08/718485408.db2.gz AZGGLWXKBPXTQL-QGZVFWFLSA-N 2 1 332.492 2.897 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266083 718486876 /nfs/dbraw/zinc/48/68/76/718486876.db2.gz IYRWOIUDXIOLPK-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266083 718486877 /nfs/dbraw/zinc/48/68/77/718486877.db2.gz IYRWOIUDXIOLPK-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266083 718486879 /nfs/dbraw/zinc/48/68/79/718486879.db2.gz IYRWOIUDXIOLPK-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287648 718524347 /nfs/dbraw/zinc/52/43/47/718524347.db2.gz FNVAWIIYBOPJIT-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289761 718530123 /nfs/dbraw/zinc/53/01/23/718530123.db2.gz SBUDQHXDJVBNFX-OALUTQOASA-N 2 1 344.503 2.774 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300765 718546932 /nfs/dbraw/zinc/54/69/32/718546932.db2.gz FCYPRTKDOKOZGN-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469452 718952293 /nfs/dbraw/zinc/95/22/93/718952293.db2.gz PHIXOXIPONGTAM-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473207 718959485 /nfs/dbraw/zinc/95/94/85/718959485.db2.gz ARSGFRYAPXEJCZ-DOTOQJQBSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474013 718961141 /nfs/dbraw/zinc/96/11/41/718961141.db2.gz IDJHRGUWTZNLBN-RDJZCZTQSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486366 719001379 /nfs/dbraw/zinc/00/13/79/719001379.db2.gz UBYDGPQSUKUTRV-HOTGVXAUSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764954 719012410 /nfs/dbraw/zinc/01/24/10/719012410.db2.gz LGNZQHZHVGQUBA-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764954 719012414 /nfs/dbraw/zinc/01/24/14/719012414.db2.gz LGNZQHZHVGQUBA-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764954 719012417 /nfs/dbraw/zinc/01/24/17/719012417.db2.gz LGNZQHZHVGQUBA-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516283 719053205 /nfs/dbraw/zinc/05/32/05/719053205.db2.gz RCHYWTKQHSOEQE-HOTGVXAUSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801644 719055503 /nfs/dbraw/zinc/05/55/03/719055503.db2.gz VSGRLYLDIQHXRH-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801644 719055507 /nfs/dbraw/zinc/05/55/07/719055507.db2.gz VSGRLYLDIQHXRH-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801644 719055512 /nfs/dbraw/zinc/05/55/12/719055512.db2.gz VSGRLYLDIQHXRH-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137959 719115557 /nfs/dbraw/zinc/11/55/57/719115557.db2.gz QGINWTSWSQVJCP-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842719 719120514 /nfs/dbraw/zinc/12/05/14/719120514.db2.gz JLHJRQJKJSKCOE-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842719 719120516 /nfs/dbraw/zinc/12/05/16/719120516.db2.gz JLHJRQJKJSKCOE-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981842719 719120518 /nfs/dbraw/zinc/12/05/18/719120518.db2.gz JLHJRQJKJSKCOE-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842809 719120800 /nfs/dbraw/zinc/12/08/00/719120800.db2.gz MLDVHBSFWVCWTA-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000981842809 719120803 /nfs/dbraw/zinc/12/08/03/719120803.db2.gz MLDVHBSFWVCWTA-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981842809 719120805 /nfs/dbraw/zinc/12/08/05/719120805.db2.gz MLDVHBSFWVCWTA-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981843221 719121238 /nfs/dbraw/zinc/12/12/38/719121238.db2.gz XBFUEZFIOHEHGN-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981843221 719121241 /nfs/dbraw/zinc/12/12/41/719121241.db2.gz XBFUEZFIOHEHGN-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981843221 719121244 /nfs/dbraw/zinc/12/12/44/719121244.db2.gz XBFUEZFIOHEHGN-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596409 719194897 /nfs/dbraw/zinc/19/48/97/719194897.db2.gz BWIQBOIIBDCEDX-JKSUJKDBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596409 719194898 /nfs/dbraw/zinc/19/48/98/719194898.db2.gz BWIQBOIIBDCEDX-JKSUJKDBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598256 719200252 /nfs/dbraw/zinc/20/02/52/719200252.db2.gz XKUHWOHAAZRTFV-IRXDYDNUSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598256 719200254 /nfs/dbraw/zinc/20/02/54/719200254.db2.gz XKUHWOHAAZRTFV-IRXDYDNUSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598257 719200270 /nfs/dbraw/zinc/20/02/70/719200270.db2.gz XKUHWOHAAZRTFV-SJORKVTESA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598257 719200272 /nfs/dbraw/zinc/20/02/72/719200272.db2.gz XKUHWOHAAZRTFV-SJORKVTESA-N 2 1 344.503 2.944 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624063 719242392 /nfs/dbraw/zinc/24/23/92/719242392.db2.gz AXUSACMIRKLBNW-XLIONFOSSA-N 2 1 341.499 2.602 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624062 719242411 /nfs/dbraw/zinc/24/24/11/719242411.db2.gz AXUSACMIRKLBNW-PXNSSMCTSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629317 719253705 /nfs/dbraw/zinc/25/37/05/719253705.db2.gz FSOYLICFVARAQH-QZTJIDSGSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629681 719254428 /nfs/dbraw/zinc/25/44/28/719254428.db2.gz IQBRSLFRUBGVRA-UYAOXDASSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118582 719576606 /nfs/dbraw/zinc/57/66/06/719576606.db2.gz ZJPKYEZDTLAJAK-UHFFFAOYSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118582 719576610 /nfs/dbraw/zinc/57/66/10/719576610.db2.gz ZJPKYEZDTLAJAK-UHFFFAOYSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163849 719608815 /nfs/dbraw/zinc/60/88/15/719608815.db2.gz ZBOKWUGXNCQAKC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164558 719609728 /nfs/dbraw/zinc/60/97/28/719609728.db2.gz QXRRRANZZYLREF-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164558 719609731 /nfs/dbraw/zinc/60/97/31/719609731.db2.gz QXRRRANZZYLREF-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164558 719609736 /nfs/dbraw/zinc/60/97/36/719609736.db2.gz QXRRRANZZYLREF-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276679 719775865 /nfs/dbraw/zinc/77/58/65/719775865.db2.gz ZBEZCYJRADGRCW-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276679 719775870 /nfs/dbraw/zinc/77/58/70/719775870.db2.gz ZBEZCYJRADGRCW-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000178573983 719786150 /nfs/dbraw/zinc/78/61/50/719786150.db2.gz ONYUCQTYKDXJKH-HNNXBMFYSA-N 2 1 326.444 2.942 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000178573983 719786156 /nfs/dbraw/zinc/78/61/56/719786156.db2.gz ONYUCQTYKDXJKH-HNNXBMFYSA-N 2 1 326.444 2.942 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279897 719792433 /nfs/dbraw/zinc/79/24/33/719792433.db2.gz LWZYAQRWGHWRMX-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279897 719792436 /nfs/dbraw/zinc/79/24/36/719792436.db2.gz LWZYAQRWGHWRMX-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279897 719792438 /nfs/dbraw/zinc/79/24/38/719792438.db2.gz LWZYAQRWGHWRMX-UKAVVXHISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3sccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982291028 719824420 /nfs/dbraw/zinc/82/44/20/719824420.db2.gz AITJPEYXLVEZLS-KDURUIRLSA-N 2 1 347.528 2.780 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362249 720000027 /nfs/dbraw/zinc/00/00/27/720000027.db2.gz VNRWPBNTDFIIQP-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982476218 720283598 /nfs/dbraw/zinc/28/35/98/720283598.db2.gz USVMKLVERSTZRI-JYAXBFRTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982476218 720283605 /nfs/dbraw/zinc/28/36/05/720283605.db2.gz USVMKLVERSTZRI-JYAXBFRTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982476218 720283609 /nfs/dbraw/zinc/28/36/09/720283609.db2.gz USVMKLVERSTZRI-JYAXBFRTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985593300 724691179 /nfs/dbraw/zinc/69/11/79/724691179.db2.gz JYDJDPFUXIPFEI-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985593300 724691182 /nfs/dbraw/zinc/69/11/82/724691182.db2.gz JYDJDPFUXIPFEI-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985593300 724691185 /nfs/dbraw/zinc/69/11/85/724691185.db2.gz JYDJDPFUXIPFEI-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026559127 720751045 /nfs/dbraw/zinc/75/10/45/720751045.db2.gz BIFQKJCVQGVTAJ-LADRWXRNSA-N 2 1 339.499 2.792 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820098 /nfs/dbraw/zinc/82/00/98/720820098.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820105 /nfs/dbraw/zinc/82/01/05/720820105.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820114 /nfs/dbraw/zinc/82/01/14/720820114.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541840 720983664 /nfs/dbraw/zinc/98/36/64/720983664.db2.gz FWJXYCMYQADALA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541840 720983666 /nfs/dbraw/zinc/98/36/66/720983666.db2.gz FWJXYCMYQADALA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541840 720983670 /nfs/dbraw/zinc/98/36/70/720983670.db2.gz FWJXYCMYQADALA-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639794 721040352 /nfs/dbraw/zinc/04/03/52/721040352.db2.gz ADRFHVYFSUDCHP-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982639794 721040358 /nfs/dbraw/zinc/04/03/58/721040358.db2.gz ADRFHVYFSUDCHP-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982639794 721040362 /nfs/dbraw/zinc/04/03/62/721040362.db2.gz ADRFHVYFSUDCHP-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982693995 721093966 /nfs/dbraw/zinc/09/39/66/721093966.db2.gz HREYWGMQQIGCPN-OYRHEFFESA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676373 721278499 /nfs/dbraw/zinc/27/84/99/721278499.db2.gz WPHOIRGFVXQKEZ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676373 721278504 /nfs/dbraw/zinc/27/85/04/721278504.db2.gz WPHOIRGFVXQKEZ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833052 721307182 /nfs/dbraw/zinc/30/71/82/721307182.db2.gz BWQMCGHJYDLDSY-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833052 721307185 /nfs/dbraw/zinc/30/71/85/721307185.db2.gz BWQMCGHJYDLDSY-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833052 721307186 /nfs/dbraw/zinc/30/71/86/721307186.db2.gz BWQMCGHJYDLDSY-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780683 721427533 /nfs/dbraw/zinc/42/75/33/721427533.db2.gz UFOPJKAWPXBERK-KRWDZBQOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862688 721484405 /nfs/dbraw/zinc/48/44/05/721484405.db2.gz KXFUSAWUEJBYAR-LJQANCHMSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC000985678174 724789170 /nfs/dbraw/zinc/78/91/70/724789170.db2.gz UMNKSRGGEYEYQP-UHFFFAOYSA-N 2 1 338.883 2.682 20 30 EFEDMP C=C(Cl)CN(C)C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC000985678174 724789173 /nfs/dbraw/zinc/78/91/73/724789173.db2.gz UMNKSRGGEYEYQP-UHFFFAOYSA-N 2 1 338.883 2.682 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709792 721876517 /nfs/dbraw/zinc/87/65/17/721876517.db2.gz DPGVTYXHYGHMKZ-GOSISDBHSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872608 722064517 /nfs/dbraw/zinc/06/45/17/722064517.db2.gz HGDSFUZKBQGBQN-INIZCTEOSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872608 722064519 /nfs/dbraw/zinc/06/45/19/722064519.db2.gz HGDSFUZKBQGBQN-INIZCTEOSA-N 2 1 335.879 2.552 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012020 722632587 /nfs/dbraw/zinc/63/25/87/722632587.db2.gz GUJYWRJOYHNYKX-INIZCTEOSA-N 2 1 333.476 2.749 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000985800541 724895034 /nfs/dbraw/zinc/89/50/34/724895034.db2.gz HYOICZCREATTRC-IBGZPJMESA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800541 724895035 /nfs/dbraw/zinc/89/50/35/724895035.db2.gz HYOICZCREATTRC-IBGZPJMESA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800541 724895036 /nfs/dbraw/zinc/89/50/36/724895036.db2.gz HYOICZCREATTRC-IBGZPJMESA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992146555 725562672 /nfs/dbraw/zinc/56/26/72/725562672.db2.gz HKQIJDVKDILVOZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992146555 725562673 /nfs/dbraw/zinc/56/26/73/725562673.db2.gz HKQIJDVKDILVOZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992146555 725562675 /nfs/dbraw/zinc/56/26/75/725562675.db2.gz HKQIJDVKDILVOZ-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171902 725587186 /nfs/dbraw/zinc/58/71/86/725587186.db2.gz ZCYXUBPROCQXJC-CTNGQTDRSA-N 2 1 341.499 2.704 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992292939 725683894 /nfs/dbraw/zinc/68/38/94/725683894.db2.gz DTGHQNUNHMOBKP-WSTZPKSXSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992317658 725711074 /nfs/dbraw/zinc/71/10/74/725711074.db2.gz PCKPEUWPNFWTEM-AZUAARDMSA-N 2 1 327.472 2.661 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355541 725742371 /nfs/dbraw/zinc/74/23/71/725742371.db2.gz XNWLVKVUEYMSTE-QUCCMNQESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355541 725742373 /nfs/dbraw/zinc/74/23/73/725742373.db2.gz XNWLVKVUEYMSTE-QUCCMNQESA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057310 725948310 /nfs/dbraw/zinc/94/83/10/725948310.db2.gz VJWKYUNGFKSSHB-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015376139 726258101 /nfs/dbraw/zinc/25/81/01/726258101.db2.gz HRGGTPHADMFZNG-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992825146 726272277 /nfs/dbraw/zinc/27/22/77/726272277.db2.gz RPGVHORMTLSAIQ-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209377 726317299 /nfs/dbraw/zinc/31/72/99/726317299.db2.gz IZJOGSNPWZHQTI-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209377 726317305 /nfs/dbraw/zinc/31/73/05/726317305.db2.gz IZJOGSNPWZHQTI-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209377 726317307 /nfs/dbraw/zinc/31/73/07/726317307.db2.gz IZJOGSNPWZHQTI-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993357985 727160619 /nfs/dbraw/zinc/16/06/19/727160619.db2.gz YBTFUVJLRSGJGJ-NVXWUHKLSA-N 2 1 326.444 2.802 20 30 EFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC[N@@H+]1C ZINC000916410624 727681939 /nfs/dbraw/zinc/68/19/39/727681939.db2.gz XDOQSBOOPYUYMM-MRXNPFEDSA-N 2 1 349.548 2.679 20 30 EFEDMP CCC[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CCCSC)C1 ZINC000912508850 727719572 /nfs/dbraw/zinc/71/95/72/727719572.db2.gz RSOFUHJFHBROBZ-HNNXBMFYSA-N 2 1 328.570 2.805 20 30 EFEDMP C=CCCN1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329788 727899724 /nfs/dbraw/zinc/89/97/24/727899724.db2.gz AGDXLUTTWFKWIM-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329788 727899728 /nfs/dbraw/zinc/89/97/28/727899728.db2.gz AGDXLUTTWFKWIM-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329788 727899734 /nfs/dbraw/zinc/89/97/34/727899734.db2.gz AGDXLUTTWFKWIM-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364824 728119559 /nfs/dbraw/zinc/11/95/59/728119559.db2.gz JTBPLUMVHVRQPM-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364824 728119562 /nfs/dbraw/zinc/11/95/62/728119562.db2.gz JTBPLUMVHVRQPM-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364824 728119564 /nfs/dbraw/zinc/11/95/64/728119564.db2.gz JTBPLUMVHVRQPM-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157396876 728142811 /nfs/dbraw/zinc/14/28/11/728142811.db2.gz OVWOTXYZJOWXAC-HNNXBMFYSA-N 2 1 348.491 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765611 728364434 /nfs/dbraw/zinc/36/44/34/728364434.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000948765611 728364437 /nfs/dbraw/zinc/36/44/37/728364437.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000948765611 728364440 /nfs/dbraw/zinc/36/44/40/728364440.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078633 728400461 /nfs/dbraw/zinc/40/04/61/728400461.db2.gz HFTRNSPLMMGOEJ-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078633 728400464 /nfs/dbraw/zinc/40/04/64/728400464.db2.gz HFTRNSPLMMGOEJ-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991861676 728490267 /nfs/dbraw/zinc/49/02/67/728490267.db2.gz NFPGWOQMERFRSM-FUHWJXTLSA-N 2 1 344.846 2.814 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991861676 728490269 /nfs/dbraw/zinc/49/02/69/728490269.db2.gz NFPGWOQMERFRSM-FUHWJXTLSA-N 2 1 344.846 2.814 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849414 729093459 /nfs/dbraw/zinc/09/34/59/729093459.db2.gz QYRJBLPQKYQEJE-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892505 1088142336 /nfs/dbraw/zinc/14/23/36/1088142336.db2.gz DQVZLTUDPMODEM-SLYNCCJLSA-N 2 1 341.499 2.712 20 30 EFEDMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC001579738558 1090676135 /nfs/dbraw/zinc/67/61/35/1090676135.db2.gz QWSIJCFDKAPBGA-LNLFQRSKSA-N 2 1 340.471 2.541 20 30 EFEDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961099 1090733734 /nfs/dbraw/zinc/73/37/34/1090733734.db2.gz AWMHRCKTUFZWME-OALUTQOASA-N 2 1 349.482 2.780 20 30 EFEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580078383 1090766291 /nfs/dbraw/zinc/76/62/91/1090766291.db2.gz WMFPRMDCEOOFAA-HOTGVXAUSA-N 2 1 328.416 2.678 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448192 1092754040 /nfs/dbraw/zinc/75/40/40/1092754040.db2.gz QESYUXWPXBAYKM-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448192 1092754043 /nfs/dbraw/zinc/75/40/43/1092754043.db2.gz QESYUXWPXBAYKM-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448192 1092754049 /nfs/dbraw/zinc/75/40/49/1092754049.db2.gz QESYUXWPXBAYKM-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448073 1092756174 /nfs/dbraw/zinc/75/61/74/1092756174.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448073 1092756183 /nfs/dbraw/zinc/75/61/83/1092756183.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448073 1092756194 /nfs/dbraw/zinc/75/61/94/1092756194.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cc(-c3nn[nH]n3)cc2C)CC1 ZINC001588431029 1092944700 /nfs/dbraw/zinc/94/47/00/1092944700.db2.gz VTICCHUEQPLLLP-UHFFFAOYSA-N 2 1 340.475 2.614 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454479 1093045310 /nfs/dbraw/zinc/04/53/10/1093045310.db2.gz VMFQAUZEEUSXJV-IEBWSBKVSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454312 1093047667 /nfs/dbraw/zinc/04/76/67/1093047667.db2.gz QJCHRIIOBBUFIW-UYAOXDASSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515050 1093192058 /nfs/dbraw/zinc/19/20/58/1093192058.db2.gz TXMBXISJOBYCMF-HBFSDRIKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228928 /nfs/dbraw/zinc/22/89/28/1093228928.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228939 /nfs/dbraw/zinc/22/89/39/1093228939.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228949 /nfs/dbraw/zinc/22/89/49/1093228949.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229260 /nfs/dbraw/zinc/22/92/60/1093229260.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229268 /nfs/dbraw/zinc/22/92/68/1093229268.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229278 /nfs/dbraw/zinc/22/92/78/1093229278.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461324 1093315409 /nfs/dbraw/zinc/31/54/09/1093315409.db2.gz CRIPNYQTSGJLSC-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461324 1093315416 /nfs/dbraw/zinc/31/54/16/1093315416.db2.gz CRIPNYQTSGJLSC-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461324 1093315422 /nfs/dbraw/zinc/31/54/22/1093315422.db2.gz CRIPNYQTSGJLSC-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461666 1093327433 /nfs/dbraw/zinc/32/74/33/1093327433.db2.gz NUXVQSRKUURVMA-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461666 1093327447 /nfs/dbraw/zinc/32/74/47/1093327447.db2.gz NUXVQSRKUURVMA-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461666 1093327453 /nfs/dbraw/zinc/32/74/53/1093327453.db2.gz NUXVQSRKUURVMA-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461865 1093333468 /nfs/dbraw/zinc/33/34/68/1093333468.db2.gz VCLDHXXGTDHDPL-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710395 1094400220 /nfs/dbraw/zinc/40/02/20/1094400220.db2.gz JHAUGYFESZGOLH-LJQANCHMSA-N 2 1 341.499 2.579 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710666 1094431132 /nfs/dbraw/zinc/43/11/32/1094431132.db2.gz KUEKLWCQYUAFMR-LJQANCHMSA-N 2 1 341.499 2.579 20 30 EFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683606 1094629291 /nfs/dbraw/zinc/62/92/91/1094629291.db2.gz NHJMLMGUFXRRKB-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112021571 1094701798 /nfs/dbraw/zinc/70/17/98/1094701798.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112021571 1094701807 /nfs/dbraw/zinc/70/18/07/1094701807.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021571 1094701820 /nfs/dbraw/zinc/70/18/20/1094701820.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021571 1094701833 /nfs/dbraw/zinc/70/18/33/1094701833.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021571 1094701837 /nfs/dbraw/zinc/70/18/37/1094701837.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529927 1094765479 /nfs/dbraw/zinc/76/54/79/1094765479.db2.gz VUJZONRLGMRXIN-HBFSDRIKSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@H]21 ZINC001087295893 1095045238 /nfs/dbraw/zinc/04/52/38/1095045238.db2.gz PYMQDWHEGWTBJW-KURKYZTESA-N 2 1 338.455 2.739 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301451 1095134588 /nfs/dbraw/zinc/13/45/88/1095134588.db2.gz CLXTYVOPICUUEX-KURKYZTESA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301917 1095140753 /nfs/dbraw/zinc/14/07/53/1095140753.db2.gz KKULCTHXCXZXFM-QYZOEREBSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303204 1095161379 /nfs/dbraw/zinc/16/13/79/1095161379.db2.gz HYESMLRGRHDTAK-BHIYHBOVSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303204 1095161389 /nfs/dbraw/zinc/16/13/89/1095161389.db2.gz HYESMLRGRHDTAK-BHIYHBOVSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303204 1095161395 /nfs/dbraw/zinc/16/13/95/1095161395.db2.gz HYESMLRGRHDTAK-BHIYHBOVSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306352 1095191052 /nfs/dbraw/zinc/19/10/52/1095191052.db2.gz HUNZQHDDYJMFLL-BPQIPLTHSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306352 1095191061 /nfs/dbraw/zinc/19/10/61/1095191061.db2.gz HUNZQHDDYJMFLL-BPQIPLTHSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306276 1095192015 /nfs/dbraw/zinc/19/20/15/1095192015.db2.gz GWVXAZAXRYUFLZ-BHIYHBOVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825669 1095212882 /nfs/dbraw/zinc/21/28/82/1095212882.db2.gz SKUOXMRIHOTPNH-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167833971 1095284934 /nfs/dbraw/zinc/28/49/34/1095284934.db2.gz GUJCKOUFKDNAQK-IRXDYDNUSA-N 2 1 325.497 2.874 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087315059 1095285408 /nfs/dbraw/zinc/28/54/08/1095285408.db2.gz VTZPSXQRXFFVGD-FGTMMUONSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087315060 1095285824 /nfs/dbraw/zinc/28/58/24/1095285824.db2.gz VTZPSXQRXFFVGD-KURKYZTESA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167833970 1095286773 /nfs/dbraw/zinc/28/67/73/1095286773.db2.gz GUJCKOUFKDNAQK-IAGOWNOFSA-N 2 1 325.497 2.874 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959071 1095790227 /nfs/dbraw/zinc/79/02/27/1095790227.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959071 1095790229 /nfs/dbraw/zinc/79/02/29/1095790229.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959071 1095790237 /nfs/dbraw/zinc/79/02/37/1095790237.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959074 1095791823 /nfs/dbraw/zinc/79/18/23/1095791823.db2.gz XWROJICYYKAVRJ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959074 1095791835 /nfs/dbraw/zinc/79/18/35/1095791835.db2.gz XWROJICYYKAVRJ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959074 1095791843 /nfs/dbraw/zinc/79/18/43/1095791843.db2.gz XWROJICYYKAVRJ-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713231 1096282387 /nfs/dbraw/zinc/28/23/87/1096282387.db2.gz CNSVHJNNYSRNKF-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001482242274 1098440061 /nfs/dbraw/zinc/44/00/61/1098440061.db2.gz CIMSWOOISZBCLE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104897012 1098936242 /nfs/dbraw/zinc/93/62/42/1098936242.db2.gz ZWUSKNFZGXBYDJ-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010513 1099356287 /nfs/dbraw/zinc/35/62/87/1099356287.db2.gz OQBPCKSCZKYYDO-QRVBRYPASA-N 2 1 337.552 2.983 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067663 1099555358 /nfs/dbraw/zinc/55/53/58/1099555358.db2.gz OFBGYPHKZYWJCZ-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394128 1100386615 /nfs/dbraw/zinc/38/66/15/1100386615.db2.gz OZSADYMVWWCJKC-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105394454 1100417587 /nfs/dbraw/zinc/41/75/87/1100417587.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394454 1100417589 /nfs/dbraw/zinc/41/75/89/1100417589.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394454 1100417591 /nfs/dbraw/zinc/41/75/91/1100417591.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396643 1100586862 /nfs/dbraw/zinc/58/68/62/1100586862.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396643 1100586869 /nfs/dbraw/zinc/58/68/69/1100586869.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396643 1100586873 /nfs/dbraw/zinc/58/68/73/1100586873.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671924 1100652973 /nfs/dbraw/zinc/65/29/73/1100652973.db2.gz WCJLTYHBQGQGBO-RBUKOAKNSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@H]1CC ZINC001087704866 1100676185 /nfs/dbraw/zinc/67/61/85/1100676185.db2.gz LIQPGRYVHZPSJN-NZSAHSFTSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704866 1100676187 /nfs/dbraw/zinc/67/61/87/1100676187.db2.gz LIQPGRYVHZPSJN-NZSAHSFTSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704866 1100676190 /nfs/dbraw/zinc/67/61/90/1100676190.db2.gz LIQPGRYVHZPSJN-NZSAHSFTSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701812 /nfs/dbraw/zinc/70/18/12/1100701812.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701815 /nfs/dbraw/zinc/70/18/15/1100701815.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701819 /nfs/dbraw/zinc/70/18/19/1100701819.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726297 1100704154 /nfs/dbraw/zinc/70/41/54/1100704154.db2.gz ZNSGDYQMARODRV-NZSAHSFTSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726297 1100704159 /nfs/dbraw/zinc/70/41/59/1100704159.db2.gz ZNSGDYQMARODRV-NZSAHSFTSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746233 1100722953 /nfs/dbraw/zinc/72/29/53/1100722953.db2.gz OCJKTBJGJIMJEN-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746233 1100722957 /nfs/dbraw/zinc/72/29/57/1100722957.db2.gz OCJKTBJGJIMJEN-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167642 1100747600 /nfs/dbraw/zinc/74/76/00/1100747600.db2.gz WMXKPUDGJNVDRT-ZIAGYGMSSA-N 2 1 349.441 2.519 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792205 1100775347 /nfs/dbraw/zinc/77/53/47/1100775347.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792205 1100775350 /nfs/dbraw/zinc/77/53/50/1100775350.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792205 1100775352 /nfs/dbraw/zinc/77/53/52/1100775352.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2CC)CC1 ZINC001087840084 1100852968 /nfs/dbraw/zinc/85/29/68/1100852968.db2.gz GZMQYANZZYNSDJ-VQTJNVASSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993793 1101166970 /nfs/dbraw/zinc/16/69/70/1101166970.db2.gz DBDRBZUBLZNWDP-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993793 1101166977 /nfs/dbraw/zinc/16/69/77/1101166977.db2.gz DBDRBZUBLZNWDP-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993793 1101166982 /nfs/dbraw/zinc/16/69/82/1101166982.db2.gz DBDRBZUBLZNWDP-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993909 1101168931 /nfs/dbraw/zinc/16/89/31/1101168931.db2.gz JIMINAKBTLAWDM-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993909 1101168941 /nfs/dbraw/zinc/16/89/41/1101168941.db2.gz JIMINAKBTLAWDM-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993909 1101168947 /nfs/dbraw/zinc/16/89/47/1101168947.db2.gz JIMINAKBTLAWDM-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020641 1101205880 /nfs/dbraw/zinc/20/58/80/1101205880.db2.gz VNLZFCBEZZRUPO-SJORKVTESA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020641 1101205885 /nfs/dbraw/zinc/20/58/85/1101205885.db2.gz VNLZFCBEZZRUPO-SJORKVTESA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020641 1101205891 /nfs/dbraw/zinc/20/58/91/1101205891.db2.gz VNLZFCBEZZRUPO-SJORKVTESA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028182 1101217298 /nfs/dbraw/zinc/21/72/98/1101217298.db2.gz ZFNMFUYMCHVACH-MSOLQXFVSA-N 2 1 338.455 2.694 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001104306188 1101515333 /nfs/dbraw/zinc/51/53/33/1101515333.db2.gz PLYVYULFCRTZAX-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001104306188 1101515345 /nfs/dbraw/zinc/51/53/45/1101515345.db2.gz PLYVYULFCRTZAX-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426592 1101584137 /nfs/dbraw/zinc/58/41/37/1101584137.db2.gz UVBMWBCFBRSKJY-ROUUACIJSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166681 1101728010 /nfs/dbraw/zinc/72/80/10/1101728010.db2.gz NHNKOZDNGKAPNP-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166681 1101728025 /nfs/dbraw/zinc/72/80/25/1101728025.db2.gz NHNKOZDNGKAPNP-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166681 1101728035 /nfs/dbraw/zinc/72/80/35/1101728035.db2.gz NHNKOZDNGKAPNP-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212797 1101893637 /nfs/dbraw/zinc/89/36/37/1101893637.db2.gz QUIMNFPOGMZVMX-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236272 1102112607 /nfs/dbraw/zinc/11/26/07/1102112607.db2.gz JEZJFUIWPGQJKK-MSOLQXFVSA-N 2 1 335.536 2.807 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235847 1102112816 /nfs/dbraw/zinc/11/28/16/1102112816.db2.gz AUUQMEZORLJCSB-KRWDZBQOSA-N 2 1 344.503 2.596 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001482497314 1102350500 /nfs/dbraw/zinc/35/05/00/1102350500.db2.gz DHLCFBBHLFNREW-ZBFHGGJFSA-N 2 1 329.916 2.688 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264777 1102395355 /nfs/dbraw/zinc/39/53/55/1102395355.db2.gz DLGOYSXDCWIPHW-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311851 1102842467 /nfs/dbraw/zinc/84/24/67/1102842467.db2.gz IKOXEJJUKFMQLD-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001088316409 1102871655 /nfs/dbraw/zinc/87/16/55/1102871655.db2.gz ZHPPBNBUEUGBDN-IRXDYDNUSA-N 2 1 332.492 2.943 20 30 EFEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001088338277 1103014673 /nfs/dbraw/zinc/01/46/73/1103014673.db2.gz AHJOLLVOQJKXKM-KRWDZBQOSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088382111 1103339504 /nfs/dbraw/zinc/33/95/04/1103339504.db2.gz UOOMUJKWRUXFMZ-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088382112 1103340832 /nfs/dbraw/zinc/34/08/32/1103340832.db2.gz UOOMUJKWRUXFMZ-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991065339 1103401554 /nfs/dbraw/zinc/40/15/54/1103401554.db2.gz FKRCHUJTAUCLEG-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991065339 1103401562 /nfs/dbraw/zinc/40/15/62/1103401562.db2.gz FKRCHUJTAUCLEG-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991065339 1103401568 /nfs/dbraw/zinc/40/15/68/1103401568.db2.gz FKRCHUJTAUCLEG-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088430638 1103580073 /nfs/dbraw/zinc/58/00/73/1103580073.db2.gz UVWHSKBKFQWWJW-IAGOWNOFSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088430640 1103581260 /nfs/dbraw/zinc/58/12/60/1103581260.db2.gz UVWHSKBKFQWWJW-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881026 1103963734 /nfs/dbraw/zinc/96/37/34/1103963734.db2.gz ABPWGGFIUFSTGY-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881026 1103963746 /nfs/dbraw/zinc/96/37/46/1103963746.db2.gz ABPWGGFIUFSTGY-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881026 1103963755 /nfs/dbraw/zinc/96/37/55/1103963755.db2.gz ABPWGGFIUFSTGY-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428227 1104538953 /nfs/dbraw/zinc/53/89/53/1104538953.db2.gz XFEPWLAAQWWKMA-IRXDYDNUSA-N 2 1 335.536 2.948 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264112532 1105598313 /nfs/dbraw/zinc/59/83/13/1105598313.db2.gz RHIXUUCJOGBTOC-UONOGXRCSA-N 2 1 334.464 2.551 20 30 EFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105564212 1105934181 /nfs/dbraw/zinc/93/41/81/1105934181.db2.gz XZDBNVMOSYWDDG-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105564220 1105934410 /nfs/dbraw/zinc/93/44/10/1105934410.db2.gz XZDBNVMOSYWDDG-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563163 1105942226 /nfs/dbraw/zinc/94/22/26/1105942226.db2.gz GADLRHLQDUMRRJ-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563314 1105942748 /nfs/dbraw/zinc/94/27/48/1105942748.db2.gz JRCVDIKKXUTYFQ-SFHVURJKSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575203 1105962416 /nfs/dbraw/zinc/96/24/16/1105962416.db2.gz UTPPRRPUZXRDDB-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458694 1106284285 /nfs/dbraw/zinc/28/42/85/1106284285.db2.gz LHSQNNXAEWEVFJ-OAQYLSRUSA-N 2 1 343.515 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458694 1106284287 /nfs/dbraw/zinc/28/42/87/1106284287.db2.gz LHSQNNXAEWEVFJ-OAQYLSRUSA-N 2 1 343.515 2.964 20 30 EFEDMP C=CCOCc1ncn2c1C[N@@H+](C1CCC([NH+](C)C)CC1)CCC2 ZINC001168319240 1106670364 /nfs/dbraw/zinc/67/03/64/1106670364.db2.gz PPANDUBKVVAKDD-UHFFFAOYSA-N 2 1 332.492 2.664 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168321653 1106719636 /nfs/dbraw/zinc/71/96/36/1106719636.db2.gz JSQKTNKIGNHFEY-QLOJAFMTSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862605 1106762109 /nfs/dbraw/zinc/76/21/09/1106762109.db2.gz JCPKQDWJSOWVGD-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022713 1107089734 /nfs/dbraw/zinc/08/97/34/1107089734.db2.gz VYYCNYAAUBAPCC-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022713 1107089749 /nfs/dbraw/zinc/08/97/49/1107089749.db2.gz VYYCNYAAUBAPCC-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022713 1107089763 /nfs/dbraw/zinc/08/97/63/1107089763.db2.gz VYYCNYAAUBAPCC-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971096 1107178061 /nfs/dbraw/zinc/17/80/61/1107178061.db2.gz BTFTZLKWRUXDGB-APWZRJJASA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345013 1107381146 /nfs/dbraw/zinc/38/11/46/1107381146.db2.gz KHQZIGRTVFMUES-QGZVFWFLSA-N 2 1 349.906 2.918 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075973062 1108521317 /nfs/dbraw/zinc/52/13/17/1108521317.db2.gz WWIPMNXDLRLRSO-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112537885 1108607024 /nfs/dbraw/zinc/60/70/24/1108607024.db2.gz DPIKSFWEQCDPRN-PXNSSMCTSA-N 2 1 344.503 2.801 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088770072 1108726794 /nfs/dbraw/zinc/72/67/94/1108726794.db2.gz WLZFZDZIYUCNBS-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811900 1109099147 /nfs/dbraw/zinc/09/91/47/1109099147.db2.gz BHSVXKTYHMXCGX-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811900 1109099152 /nfs/dbraw/zinc/09/91/52/1109099152.db2.gz BHSVXKTYHMXCGX-NEWSRXKRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812189 1109104000 /nfs/dbraw/zinc/10/40/00/1109104000.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812189 1109104006 /nfs/dbraw/zinc/10/40/06/1109104006.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812189 1109104011 /nfs/dbraw/zinc/10/40/11/1109104011.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309263 1109760946 /nfs/dbraw/zinc/76/09/46/1109760946.db2.gz ISFLFKOAKBRMFJ-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309263 1109760948 /nfs/dbraw/zinc/76/09/48/1109760948.db2.gz ISFLFKOAKBRMFJ-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168464095 1111084339 /nfs/dbraw/zinc/08/43/39/1111084339.db2.gz ZZYHHFXTJBXRFV-UHFFFAOYSA-N 2 1 329.488 2.571 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168464095 1111084340 /nfs/dbraw/zinc/08/43/40/1111084340.db2.gz ZZYHHFXTJBXRFV-UHFFFAOYSA-N 2 1 329.488 2.571 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248395 1111216728 /nfs/dbraw/zinc/21/67/28/1111216728.db2.gz OCFMGWMVSXCPRV-CEXWTWQISA-N 2 1 335.536 2.615 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729170 1111770777 /nfs/dbraw/zinc/77/07/77/1111770777.db2.gz LCJRVVXCECGEHA-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860374 1111918189 /nfs/dbraw/zinc/91/81/89/1111918189.db2.gz WSCWZJCOXWRMNA-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299809 1111941149 /nfs/dbraw/zinc/94/11/49/1111941149.db2.gz WCLPHMPCSAJZFS-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299809 1111941151 /nfs/dbraw/zinc/94/11/51/1111941151.db2.gz WCLPHMPCSAJZFS-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099299809 1111941156 /nfs/dbraw/zinc/94/11/56/1111941156.db2.gz WCLPHMPCSAJZFS-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099299809 1111941159 /nfs/dbraw/zinc/94/11/59/1111941159.db2.gz WCLPHMPCSAJZFS-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389017 1112054705 /nfs/dbraw/zinc/05/47/05/1112054705.db2.gz JLITUJNGZWIDFG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389017 1112054710 /nfs/dbraw/zinc/05/47/10/1112054710.db2.gz JLITUJNGZWIDFG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389017 1112054714 /nfs/dbraw/zinc/05/47/14/1112054714.db2.gz JLITUJNGZWIDFG-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402090 1112071842 /nfs/dbraw/zinc/07/18/42/1112071842.db2.gz BBXQXWGLKYIXOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402090 1112071845 /nfs/dbraw/zinc/07/18/45/1112071845.db2.gz BBXQXWGLKYIXOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402090 1112071849 /nfs/dbraw/zinc/07/18/49/1112071849.db2.gz BBXQXWGLKYIXOU-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402089 1112072130 /nfs/dbraw/zinc/07/21/30/1112072130.db2.gz BBXQXWGLKYIXOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402089 1112072133 /nfs/dbraw/zinc/07/21/33/1112072133.db2.gz BBXQXWGLKYIXOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402089 1112072135 /nfs/dbraw/zinc/07/21/35/1112072135.db2.gz BBXQXWGLKYIXOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402429 1112072845 /nfs/dbraw/zinc/07/28/45/1112072845.db2.gz GRPDNMQYGIAAMR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402429 1112072850 /nfs/dbraw/zinc/07/28/50/1112072850.db2.gz GRPDNMQYGIAAMR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402429 1112072855 /nfs/dbraw/zinc/07/28/55/1112072855.db2.gz GRPDNMQYGIAAMR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403366 1112073323 /nfs/dbraw/zinc/07/33/23/1112073323.db2.gz RLCKEAXTVJHPKW-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403366 1112073328 /nfs/dbraw/zinc/07/33/28/1112073328.db2.gz RLCKEAXTVJHPKW-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403366 1112073332 /nfs/dbraw/zinc/07/33/32/1112073332.db2.gz RLCKEAXTVJHPKW-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403361 1112073785 /nfs/dbraw/zinc/07/37/85/1112073785.db2.gz RLCKEAXTVJHPKW-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403361 1112073790 /nfs/dbraw/zinc/07/37/90/1112073790.db2.gz RLCKEAXTVJHPKW-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403361 1112073794 /nfs/dbraw/zinc/07/37/94/1112073794.db2.gz RLCKEAXTVJHPKW-OALUTQOASA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405637 1112077425 /nfs/dbraw/zinc/07/74/25/1112077425.db2.gz CXJROAAJLCWPNV-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405637 1112077429 /nfs/dbraw/zinc/07/74/29/1112077429.db2.gz CXJROAAJLCWPNV-IAGOWNOFSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)CC(C)(C)C1 ZINC001089410750 1112084647 /nfs/dbraw/zinc/08/46/47/1112084647.db2.gz UDGGIVOPGFGWTG-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)CC(C)(C)C1 ZINC001089410750 1112084651 /nfs/dbraw/zinc/08/46/51/1112084651.db2.gz UDGGIVOPGFGWTG-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001089410750 1112084655 /nfs/dbraw/zinc/08/46/55/1112084655.db2.gz UDGGIVOPGFGWTG-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001089410750 1112084658 /nfs/dbraw/zinc/08/46/58/1112084658.db2.gz UDGGIVOPGFGWTG-OALUTQOASA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429709 1112119759 /nfs/dbraw/zinc/11/97/59/1112119759.db2.gz DWOFWZYKGXTQHO-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089471763 1112196468 /nfs/dbraw/zinc/19/64/68/1112196468.db2.gz ABFPOAYKONROGY-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471763 1112196470 /nfs/dbraw/zinc/19/64/70/1112196470.db2.gz ABFPOAYKONROGY-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089471763 1112196471 /nfs/dbraw/zinc/19/64/71/1112196471.db2.gz ABFPOAYKONROGY-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477910 1112202839 /nfs/dbraw/zinc/20/28/39/1112202839.db2.gz PEIFNCYOHJPULL-QGZVFWFLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492881 1112228944 /nfs/dbraw/zinc/22/89/44/1112228944.db2.gz PYAJPEBWVMWJLT-GOEBONIOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492881 1112228948 /nfs/dbraw/zinc/22/89/48/1112228948.db2.gz PYAJPEBWVMWJLT-GOEBONIOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492881 1112228953 /nfs/dbraw/zinc/22/89/53/1112228953.db2.gz PYAJPEBWVMWJLT-GOEBONIOSA-N 2 1 341.927 2.688 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255511 /nfs/dbraw/zinc/25/55/11/1112255511.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255514 /nfs/dbraw/zinc/25/55/14/1112255514.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255517 /nfs/dbraw/zinc/25/55/17/1112255517.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533769 1112279221 /nfs/dbraw/zinc/27/92/21/1112279221.db2.gz JMANOMUSINQEIW-LJQANCHMSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539562 1112281915 /nfs/dbraw/zinc/28/19/15/1112281915.db2.gz MMFBUUBNPPBQMB-HNNXBMFYSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539562 1112281918 /nfs/dbraw/zinc/28/19/18/1112281918.db2.gz MMFBUUBNPPBQMB-HNNXBMFYSA-N 2 1 330.476 2.554 20 30 EFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089538608 1112284258 /nfs/dbraw/zinc/28/42/58/1112284258.db2.gz XLCPFKOCBQWIKY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538608 1112284260 /nfs/dbraw/zinc/28/42/60/1112284260.db2.gz XLCPFKOCBQWIKY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538608 1112284262 /nfs/dbraw/zinc/28/42/62/1112284262.db2.gz XLCPFKOCBQWIKY-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cnc4cc[nH]cc3-4)CC2)C1=O ZINC001272674011 1112378180 /nfs/dbraw/zinc/37/81/80/1112378180.db2.gz SJSZXSXIZOYAQC-FQEVSTJZSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnc4cc[nH]cc3-4)CC2)C1=O ZINC001272674011 1112378186 /nfs/dbraw/zinc/37/81/86/1112378186.db2.gz SJSZXSXIZOYAQC-FQEVSTJZSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272674011 1112378190 /nfs/dbraw/zinc/37/81/90/1112378190.db2.gz SJSZXSXIZOYAQC-FQEVSTJZSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272674011 1112378194 /nfs/dbraw/zinc/37/81/94/1112378194.db2.gz SJSZXSXIZOYAQC-FQEVSTJZSA-N 2 1 338.455 2.954 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641268 1112432123 /nfs/dbraw/zinc/43/21/23/1112432123.db2.gz KLBYCDNZANQINE-OALUTQOASA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649141 1112464498 /nfs/dbraw/zinc/46/44/98/1112464498.db2.gz BZFGDQYOWQVSEQ-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649141 1112464499 /nfs/dbraw/zinc/46/44/99/1112464499.db2.gz BZFGDQYOWQVSEQ-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650082 1112474721 /nfs/dbraw/zinc/47/47/21/1112474721.db2.gz UFKDSXJQKUGCOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089650082 1112474723 /nfs/dbraw/zinc/47/47/23/1112474723.db2.gz UFKDSXJQKUGCOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089650082 1112474725 /nfs/dbraw/zinc/47/47/25/1112474725.db2.gz UFKDSXJQKUGCOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663160 1112604971 /nfs/dbraw/zinc/60/49/71/1112604971.db2.gz HWYHHHFJWHLLIZ-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663160 1112604979 /nfs/dbraw/zinc/60/49/79/1112604979.db2.gz HWYHHHFJWHLLIZ-RTBURBONSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663658 1112607430 /nfs/dbraw/zinc/60/74/30/1112607430.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663658 1112607433 /nfs/dbraw/zinc/60/74/33/1112607433.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663658 1112607435 /nfs/dbraw/zinc/60/74/35/1112607435.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663975 1112607827 /nfs/dbraw/zinc/60/78/27/1112607827.db2.gz BRUSGFOEOQSFHV-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663896 1112608295 /nfs/dbraw/zinc/60/82/95/1112608295.db2.gz BAEDKXUFIPJGMB-INIZCTEOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001089660926 1112608744 /nfs/dbraw/zinc/60/87/44/1112608744.db2.gz RVPCBUKHUMXBJA-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665142 1112619757 /nfs/dbraw/zinc/61/97/57/1112619757.db2.gz VHSZDDDEBXESPJ-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705768 1112857911 /nfs/dbraw/zinc/85/79/11/1112857911.db2.gz JJBIZSRNCUQHCF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705768 1112857913 /nfs/dbraw/zinc/85/79/13/1112857913.db2.gz JJBIZSRNCUQHCF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705768 1112857914 /nfs/dbraw/zinc/85/79/14/1112857914.db2.gz JJBIZSRNCUQHCF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718151 1112928446 /nfs/dbraw/zinc/92/84/46/1112928446.db2.gz LHITVCSVISWVFH-IBGZPJMESA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089845167 1118241673 /nfs/dbraw/zinc/24/16/73/1118241673.db2.gz DCBUILSMDYTHBU-VJANTYMQSA-N 2 1 345.531 2.606 20 30 EFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716521 1118921227 /nfs/dbraw/zinc/92/12/27/1118921227.db2.gz GQSOJTNEWJSLNT-HXUWFJFHSA-N 2 1 346.519 2.623 20 30 EFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716521 1118921230 /nfs/dbraw/zinc/92/12/30/1118921230.db2.gz GQSOJTNEWJSLNT-HXUWFJFHSA-N 2 1 346.519 2.623 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474625 1119048822 /nfs/dbraw/zinc/04/88/22/1119048822.db2.gz XYDFXFFIQKWVFX-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942723991 1119087017 /nfs/dbraw/zinc/08/70/17/1119087017.db2.gz RUTQPGZLMIPUCK-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875268 1119765959 /nfs/dbraw/zinc/76/59/59/1119765959.db2.gz CVPYFFILRXAFIV-QFBILLFUSA-N 2 1 338.455 2.889 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943875587 1119766240 /nfs/dbraw/zinc/76/62/40/1119766240.db2.gz FBQUSAKFGMGYPL-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875265 1119766422 /nfs/dbraw/zinc/76/64/22/1119766422.db2.gz CVPYFFILRXAFIV-APWZRJJASA-N 2 1 338.455 2.889 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028592 1120518907 /nfs/dbraw/zinc/51/89/07/1120518907.db2.gz KAEHQECSCMLUQU-KBXCAEBGSA-N 2 1 349.906 2.941 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031156 1120522715 /nfs/dbraw/zinc/52/27/15/1120522715.db2.gz ZFTZAFGILOEEAM-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089881 1120559808 /nfs/dbraw/zinc/55/98/08/1120559808.db2.gz IRJVJIJWIMNDJX-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089883 1120560157 /nfs/dbraw/zinc/56/01/57/1120560157.db2.gz IRJVJIJWIMNDJX-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179631607 282121788 /nfs/dbraw/zinc/12/17/88/282121788.db2.gz NZRRKSIIHIBVIC-KRWDZBQOSA-N 2 1 337.471 2.847 20 30 EFEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179631607 282121791 /nfs/dbraw/zinc/12/17/91/282121791.db2.gz NZRRKSIIHIBVIC-KRWDZBQOSA-N 2 1 337.471 2.847 20 30 EFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174284710 529774248 /nfs/dbraw/zinc/77/42/48/529774248.db2.gz YGUGWAJPRGFLTC-UHFFFAOYSA-N 2 1 328.504 2.854 20 30 EFEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000180988303 234052616 /nfs/dbraw/zinc/05/26/16/234052616.db2.gz YQIHWQPGRAAXRB-OAQYLSRUSA-N 2 1 335.451 2.805 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000181425560 234181754 /nfs/dbraw/zinc/18/17/54/234181754.db2.gz GPBUSDWJUQWSAS-UHFFFAOYSA-N 2 1 338.499 2.739 20 30 EFEDMP C[NH+]=C(NCC1(c2ccc(Cl)cc2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262727340 240365137 /nfs/dbraw/zinc/36/51/37/240365137.db2.gz APHPZHWFMBTINM-MRXNPFEDSA-N 2 1 346.906 2.773 20 30 EFEDMP C[NH+]=C(NCC1(c2ccc(Cl)cc2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262727340 240365144 /nfs/dbraw/zinc/36/51/44/240365144.db2.gz APHPZHWFMBTINM-MRXNPFEDSA-N 2 1 346.906 2.773 20 30 EFEDMP C[NH+]=C(NCc1ccc(-c2ccccc2)o1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262735429 240365531 /nfs/dbraw/zinc/36/55/31/240365531.db2.gz CLXZBTAZRMJUJW-MRXNPFEDSA-N 2 1 338.455 2.848 20 30 EFEDMP C[NH+]=C(NCc1ccc(-c2ccccc2)o1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262735429 240365539 /nfs/dbraw/zinc/36/55/39/240365539.db2.gz CLXZBTAZRMJUJW-MRXNPFEDSA-N 2 1 338.455 2.848 20 30 EFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719258 216299192 /nfs/dbraw/zinc/29/91/92/216299192.db2.gz JWBGUPIXKISLNU-GOSISDBHSA-N 2 1 340.471 2.695 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072803514 216308959 /nfs/dbraw/zinc/30/89/59/216308959.db2.gz KVLJAYLMZQKBMG-INIZCTEOSA-N 2 1 328.460 2.551 20 30 EFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000161962425 239080106 /nfs/dbraw/zinc/08/01/06/239080106.db2.gz JTMCYWOEIGBZQV-HXUWFJFHSA-N 2 1 337.471 2.854 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000237167370 240238928 /nfs/dbraw/zinc/23/89/28/240238928.db2.gz QJMXMMRHXWYRMW-UHFFFAOYSA-N 2 1 346.471 2.595 20 30 EFEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000237425912 240243041 /nfs/dbraw/zinc/24/30/41/240243041.db2.gz HFECVWQUSIXQOQ-QGZVFWFLSA-N 2 1 343.471 2.952 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000249744108 240302639 /nfs/dbraw/zinc/30/26/39/240302639.db2.gz BFRSSAHQFIDGSH-DLBZAZTESA-N 2 1 329.488 2.699 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000246741759 240271283 /nfs/dbraw/zinc/27/12/83/240271283.db2.gz WNZQBZXCVVTFDD-ZIFCJYIRSA-N 2 1 332.492 2.641 20 30 EFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000246741759 240271288 /nfs/dbraw/zinc/27/12/88/240271288.db2.gz WNZQBZXCVVTFDD-ZIFCJYIRSA-N 2 1 332.492 2.641 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247352966 240280197 /nfs/dbraw/zinc/28/01/97/240280197.db2.gz PKROFRNFRDFDJJ-QXAKKESOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247352966 240280204 /nfs/dbraw/zinc/28/02/04/240280204.db2.gz PKROFRNFRDFDJJ-QXAKKESOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247352966 240280210 /nfs/dbraw/zinc/28/02/10/240280210.db2.gz PKROFRNFRDFDJJ-QXAKKESOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247352966 240280217 /nfs/dbraw/zinc/28/02/17/240280217.db2.gz PKROFRNFRDFDJJ-QXAKKESOSA-N 2 1 332.488 2.569 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS[C@H](C(C)C)C1 ZINC000261793618 240325134 /nfs/dbraw/zinc/32/51/34/240325134.db2.gz QRBSFPXRSSTTMP-IRXDYDNUSA-N 2 1 340.581 2.756 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)NC[C@]1(C)CCCS1 ZINC000262002713 240340579 /nfs/dbraw/zinc/34/05/79/240340579.db2.gz UUQBKFUHQBPZTC-RDJZCZTQSA-N 2 1 326.554 2.558 20 30 EFEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059687 240343026 /nfs/dbraw/zinc/34/30/26/240343026.db2.gz YNOKTRNWBULMCL-CZUORRHYSA-N 2 1 340.874 2.951 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000298880779 241161144 /nfs/dbraw/zinc/16/11/44/241161144.db2.gz NXVBLWQDZQILEI-IAGOWNOFSA-N 2 1 329.488 2.841 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1C)C(C)C ZINC000299031355 241164125 /nfs/dbraw/zinc/16/41/25/241164125.db2.gz NYQLOUQEZYKIEW-SFHVURJKSA-N 2 1 347.507 2.579 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)C(C)C ZINC000299031348 241165657 /nfs/dbraw/zinc/16/56/57/241165657.db2.gz NYQLOUQEZYKIEW-GOSISDBHSA-N 2 1 347.507 2.579 20 30 EFEDMP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328648952 241212393 /nfs/dbraw/zinc/21/23/93/241212393.db2.gz IKGYUPMBTOWDKT-SJORKVTESA-N 2 1 337.508 2.756 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329465376 241376715 /nfs/dbraw/zinc/37/67/15/241376715.db2.gz VAMRIAURGSCRIE-XJKSGUPXSA-N 2 1 347.507 2.868 20 30 EFEDMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329465376 241376722 /nfs/dbraw/zinc/37/67/22/241376722.db2.gz VAMRIAURGSCRIE-XJKSGUPXSA-N 2 1 347.507 2.868 20 30 EFEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000361459953 242223788 /nfs/dbraw/zinc/22/37/88/242223788.db2.gz OOMPRLFGNVHSGA-PKOBYXMFSA-N 2 1 345.487 2.816 20 30 EFEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000414265906 244068621 /nfs/dbraw/zinc/06/86/21/244068621.db2.gz LXWRODRXGXVDES-UAFMIMERSA-N 2 1 327.472 2.805 20 30 EFEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000414265906 244068627 /nfs/dbraw/zinc/06/86/27/244068627.db2.gz LXWRODRXGXVDES-UAFMIMERSA-N 2 1 327.472 2.805 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430932386 247852376 /nfs/dbraw/zinc/85/23/76/247852376.db2.gz GDBJTFVXKKUNTF-AWEZNQCLSA-N 2 1 333.501 2.962 20 30 EFEDMP C[N@H+](CCC(=O)Nc1sccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000441350666 250021615 /nfs/dbraw/zinc/02/16/15/250021615.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 2 1 334.489 2.755 20 30 EFEDMP C[NH+](CCC(=O)Nc1sccc1C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000441350666 250021617 /nfs/dbraw/zinc/02/16/17/250021617.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 2 1 334.489 2.755 20 30 EFEDMP C[NH+](CCC(=O)Nc1sccc1C#N)CC[C@H]1CCCC[N@H+]1C ZINC000441350666 250021619 /nfs/dbraw/zinc/02/16/19/250021619.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 2 1 334.489 2.755 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709590 250105391 /nfs/dbraw/zinc/10/53/91/250105391.db2.gz OQZIASXRMOSJCO-YLJYHZDGSA-N 2 1 326.488 2.606 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000442727063 250108115 /nfs/dbraw/zinc/10/81/15/250108115.db2.gz VJDUPBVAKLZZRK-RLLQIKCJSA-N 2 1 326.488 2.647 20 30 EFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896887 250137515 /nfs/dbraw/zinc/13/75/15/250137515.db2.gz LQCHKXDHUROJKD-UWVAXJGDSA-N 2 1 326.488 2.577 20 30 EFEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268814897 252265567 /nfs/dbraw/zinc/26/55/67/252265567.db2.gz FULYOGXOWHQIOA-RDJZCZTQSA-N 2 1 338.879 2.925 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343557439 145237930 /nfs/dbraw/zinc/23/79/30/145237930.db2.gz VRXSUDUHFTWPRE-PXNSSMCTSA-N 2 1 329.488 2.827 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174385 145385280 /nfs/dbraw/zinc/38/52/80/145385280.db2.gz QRQNDBBBXHTOLE-UZLBHIALSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174385 145385282 /nfs/dbraw/zinc/38/52/82/145385282.db2.gz QRQNDBBBXHTOLE-UZLBHIALSA-N 2 1 326.488 2.595 20 30 EFEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264092873 286323521 /nfs/dbraw/zinc/32/35/21/286323521.db2.gz LNXQZPHVQZTUJP-OAHLLOKOSA-N 2 1 348.491 2.943 20 30 EFEDMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000487887236 269913284 /nfs/dbraw/zinc/91/32/84/269913284.db2.gz YFTYUMKNJSBDHM-OALUTQOASA-N 2 1 340.515 2.857 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966605 266149778 /nfs/dbraw/zinc/14/97/78/266149778.db2.gz VQSCWRRQPTYGSK-MRXNPFEDSA-N 2 1 332.467 2.766 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155241 /nfs/dbraw/zinc/15/52/41/266155241.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155244 /nfs/dbraw/zinc/15/52/44/266155244.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155247 /nfs/dbraw/zinc/15/52/47/266155247.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245975751 278134604 /nfs/dbraw/zinc/13/46/04/278134604.db2.gz GDPIBQVANRMVDI-QZTJIDSGSA-N 2 1 348.535 2.723 20 30 EFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000186974958 278395524 /nfs/dbraw/zinc/39/55/24/278395524.db2.gz OSRJQTBUCMKSGL-CQSZACIVSA-N 2 1 335.879 2.736 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000575923493 319966649 /nfs/dbraw/zinc/96/66/49/319966649.db2.gz RMZNAQLXDYCDQQ-AEFFLSMTSA-N 2 1 340.475 2.591 20 30 EFEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000576911148 320059214 /nfs/dbraw/zinc/05/92/14/320059214.db2.gz IHWABEQNUWKZFB-RBBKRZOGSA-N 2 1 347.462 2.902 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633166 473236403 /nfs/dbraw/zinc/23/64/03/473236403.db2.gz HBBFNMAYQBWXEM-GOSISDBHSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633166 473236411 /nfs/dbraw/zinc/23/64/11/473236411.db2.gz HBBFNMAYQBWXEM-GOSISDBHSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633166 473236415 /nfs/dbraw/zinc/23/64/15/473236415.db2.gz HBBFNMAYQBWXEM-GOSISDBHSA-N 2 1 343.471 2.609 20 30 EFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633166 473236421 /nfs/dbraw/zinc/23/64/21/473236421.db2.gz HBBFNMAYQBWXEM-GOSISDBHSA-N 2 1 343.471 2.609 20 30 EFEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536837 473311009 /nfs/dbraw/zinc/31/10/09/473311009.db2.gz DWAZMTPLBTXPRA-IBGZPJMESA-N 2 1 344.503 2.515 20 30 EFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N[C@@H]1C[C@@H]1C ZINC000083880696 473372282 /nfs/dbraw/zinc/37/22/82/473372282.db2.gz PMYOYHDUEQCUBU-BLLLJJGKSA-N 2 1 329.423 2.783 20 30 EFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072585191 472683229 /nfs/dbraw/zinc/68/32/29/472683229.db2.gz BUVBMIHJQWRBQH-UHFFFAOYSA-N 2 1 328.460 2.691 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720099 472707054 /nfs/dbraw/zinc/70/70/54/472707054.db2.gz FXXKSFQARHPTKL-GOSISDBHSA-N 2 1 340.471 2.695 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccccc1Cl ZINC000073763038 472871592 /nfs/dbraw/zinc/87/15/92/472871592.db2.gz CSZLHWHYDCDBLH-AWEZNQCLSA-N 2 1 334.895 2.832 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000092587514 472942165 /nfs/dbraw/zinc/94/21/65/472942165.db2.gz IUORRFANMJMRSL-GASCZTMLSA-N 2 1 333.501 2.941 20 30 EFEDMP C=C(C)C[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000051559869 473056475 /nfs/dbraw/zinc/05/64/75/473056475.db2.gz CCYNTIMQYRHDQV-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000051559869 473056483 /nfs/dbraw/zinc/05/64/83/473056483.db2.gz CCYNTIMQYRHDQV-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000051559869 473056490 /nfs/dbraw/zinc/05/64/90/473056490.db2.gz CCYNTIMQYRHDQV-UHFFFAOYSA-N 2 1 343.515 2.927 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160158130 473092025 /nfs/dbraw/zinc/09/20/25/473092025.db2.gz HBMBVPJPKBWBAI-LORHWOILSA-N 2 1 344.478 2.984 20 30 EFEDMP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCCCC1 ZINC000093382948 473098659 /nfs/dbraw/zinc/09/86/59/473098659.db2.gz XFKBMPNSPMAUHN-UHFFFAOYSA-N 2 1 343.519 2.797 20 30 EFEDMP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCCCC1 ZINC000093382948 473098665 /nfs/dbraw/zinc/09/86/65/473098665.db2.gz XFKBMPNSPMAUHN-UHFFFAOYSA-N 2 1 343.519 2.797 20 30 EFEDMP C=CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256998 473199827 /nfs/dbraw/zinc/19/98/27/473199827.db2.gz VIVZRRYYJYXWQT-PXNSSMCTSA-N 2 1 341.499 2.664 20 30 EFEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000190910645 473426902 /nfs/dbraw/zinc/42/69/02/473426902.db2.gz ZBMAFZZGHDELHY-HNNXBMFYSA-N 2 1 328.485 2.960 20 30 EFEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000190910645 473426907 /nfs/dbraw/zinc/42/69/07/473426907.db2.gz ZBMAFZZGHDELHY-HNNXBMFYSA-N 2 1 328.485 2.960 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782169 473512863 /nfs/dbraw/zinc/51/28/63/473512863.db2.gz QGBQXAMXPBUSCR-RTWAWAEBSA-N 2 1 340.515 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602303 /nfs/dbraw/zinc/60/23/03/473602303.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602307 /nfs/dbraw/zinc/60/23/07/473602307.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 2 1 337.552 2.754 20 30 EFEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602312 /nfs/dbraw/zinc/60/23/12/473602312.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 2 1 337.552 2.754 20 30 EFEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263762024 473837548 /nfs/dbraw/zinc/83/75/48/473837548.db2.gz QUXHJKCQOYNCER-CALCHBBNSA-N 2 1 327.472 2.879 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263762024 473837555 /nfs/dbraw/zinc/83/75/55/473837555.db2.gz QUXHJKCQOYNCER-CALCHBBNSA-N 2 1 327.472 2.879 20 30 EFEDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000269684815 473859584 /nfs/dbraw/zinc/85/95/84/473859584.db2.gz UVFFAZVWRNYOPZ-UHFFFAOYSA-N 2 1 326.488 2.549 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542283 473895894 /nfs/dbraw/zinc/89/58/94/473895894.db2.gz JWPXWSJVKLNCCA-LNLFQRSKSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542283 473895901 /nfs/dbraw/zinc/89/59/01/473895901.db2.gz JWPXWSJVKLNCCA-LNLFQRSKSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542283 473895909 /nfs/dbraw/zinc/89/59/09/473895909.db2.gz JWPXWSJVKLNCCA-LNLFQRSKSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246542283 473895914 /nfs/dbraw/zinc/89/59/14/473895914.db2.gz JWPXWSJVKLNCCA-LNLFQRSKSA-N 2 1 333.520 2.748 20 30 EFEDMP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106921 473951048 /nfs/dbraw/zinc/95/10/48/473951048.db2.gz PVYNGSGROLVFDS-GHMZBOCLSA-N 2 1 329.275 2.910 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000264147270 473954054 /nfs/dbraw/zinc/95/40/54/473954054.db2.gz YEVDYHSWMARKDJ-CVEARBPZSA-N 2 1 332.492 2.500 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000264147274 473954268 /nfs/dbraw/zinc/95/42/68/473954268.db2.gz YEVDYHSWMARKDJ-HZPDHXFCSA-N 2 1 332.492 2.500 20 30 EFEDMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865299 473986932 /nfs/dbraw/zinc/98/69/32/473986932.db2.gz LGGDQHIXYTXJIN-RHSMWYFYSA-N 2 1 346.862 2.566 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000182187637 474118343 /nfs/dbraw/zinc/11/83/43/474118343.db2.gz SCQXGEBXKCFYKJ-INIZCTEOSA-N 2 1 346.471 2.757 20 30 EFEDMP C=CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000275257643 474121034 /nfs/dbraw/zinc/12/10/34/474121034.db2.gz HYOAQPCVIWDMHI-FQEVSTJZSA-N 2 1 343.515 2.831 20 30 EFEDMP C=CC[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257643 474121039 /nfs/dbraw/zinc/12/10/39/474121039.db2.gz HYOAQPCVIWDMHI-FQEVSTJZSA-N 2 1 343.515 2.831 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000270492295 474140327 /nfs/dbraw/zinc/14/03/27/474140327.db2.gz AVHGILNDSWEGNQ-UHFFFAOYSA-N 2 1 343.490 2.668 20 30 EFEDMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270562230 474170246 /nfs/dbraw/zinc/17/02/46/474170246.db2.gz KDWXRTDGNDTHSY-DOMZBBRYSA-N 2 1 326.847 2.786 20 30 EFEDMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270562235 474170795 /nfs/dbraw/zinc/17/07/95/474170795.db2.gz KDWXRTDGNDTHSY-IUODEOHRSA-N 2 1 326.847 2.786 20 30 EFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438594 474324055 /nfs/dbraw/zinc/32/40/55/474324055.db2.gz HWNWJUPYNNDOMH-HRAATJIYSA-N 2 1 335.451 2.976 20 30 EFEDMP N#Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828695 474352674 /nfs/dbraw/zinc/35/26/74/474352674.db2.gz CGXIXEILSBJTFH-RTWAWAEBSA-N 2 1 335.451 2.531 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244209 474420113 /nfs/dbraw/zinc/42/01/13/474420113.db2.gz JQGZZJKUKOMVEE-IBGZPJMESA-N 2 1 345.462 2.557 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244209 474420120 /nfs/dbraw/zinc/42/01/20/474420120.db2.gz JQGZZJKUKOMVEE-IBGZPJMESA-N 2 1 345.462 2.557 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945652 474488432 /nfs/dbraw/zinc/48/84/32/474488432.db2.gz DISSSYZJQNNITI-KXBFYZLASA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945652 474488438 /nfs/dbraw/zinc/48/84/38/474488438.db2.gz DISSSYZJQNNITI-KXBFYZLASA-N 2 1 333.451 2.924 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC000290052967 474542067 /nfs/dbraw/zinc/54/20/67/474542067.db2.gz DOWQPDKIDVEOMC-MJGOQNOKSA-N 2 1 344.503 2.569 20 30 EFEDMP C=CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000276462781 474553447 /nfs/dbraw/zinc/55/34/47/474553447.db2.gz QTKAUIRZWQOPQS-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000276462781 474553452 /nfs/dbraw/zinc/55/34/52/474553452.db2.gz QTKAUIRZWQOPQS-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000276462781 474553456 /nfs/dbraw/zinc/55/34/56/474553456.db2.gz QTKAUIRZWQOPQS-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000271509008 474575974 /nfs/dbraw/zinc/57/59/74/474575974.db2.gz RZELUMSTVBXUGZ-YLJYHZDGSA-N 2 1 345.487 2.816 20 30 EFEDMP C[N@@H+](CC(C)(C)CCC#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190319534 474578092 /nfs/dbraw/zinc/57/80/92/474578092.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@H+](CC(C)(C)CCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190319534 474578094 /nfs/dbraw/zinc/57/80/94/474578094.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@@H+](CC(C)(C)CCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190319534 474578098 /nfs/dbraw/zinc/57/80/98/474578098.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CC(C)(C)CCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190319534 474578099 /nfs/dbraw/zinc/57/80/99/474578099.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CC(C)(C)CCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190319534 474578104 /nfs/dbraw/zinc/57/81/04/474578104.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 1 329.488 2.885 20 30 EFEDMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196444 474579431 /nfs/dbraw/zinc/57/94/31/474579431.db2.gz DJIHTROSDLRIPB-INIZCTEOSA-N 2 1 344.503 2.793 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272987150 474659502 /nfs/dbraw/zinc/65/95/02/474659502.db2.gz REOAGUVUTZKQLB-UHFFFAOYSA-N 2 1 348.454 2.986 20 30 EFEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272987150 474659506 /nfs/dbraw/zinc/65/95/06/474659506.db2.gz REOAGUVUTZKQLB-UHFFFAOYSA-N 2 1 348.454 2.986 20 30 EFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339014328 474835050 /nfs/dbraw/zinc/83/50/50/474835050.db2.gz RFFOQTZXAVWEGI-ICSRJNTNSA-N 2 1 332.536 2.807 20 30 EFEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339014328 474835058 /nfs/dbraw/zinc/83/50/58/474835058.db2.gz RFFOQTZXAVWEGI-ICSRJNTNSA-N 3 1 332.536 2.807 20 30 EFEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339014328 474835067 /nfs/dbraw/zinc/83/50/67/474835067.db2.gz RFFOQTZXAVWEGI-ICSRJNTNSA-N 3 1 332.536 2.807 20 30 EFEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccccc1OC(F)(F)F ZINC000279983789 475003117 /nfs/dbraw/zinc/00/31/17/475003117.db2.gz LBJYTXBELFHHPA-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccccc1OC(F)(F)F ZINC000279983789 475003127 /nfs/dbraw/zinc/00/31/27/475003127.db2.gz LBJYTXBELFHHPA-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509631 475014136 /nfs/dbraw/zinc/01/41/36/475014136.db2.gz HWSPJYCJFIXICJ-NJDAHSKKSA-N 2 1 338.499 2.571 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000293509631 475014145 /nfs/dbraw/zinc/01/41/45/475014145.db2.gz HWSPJYCJFIXICJ-NJDAHSKKSA-N 2 1 338.499 2.571 20 30 EFEDMP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000328590430 475032622 /nfs/dbraw/zinc/03/26/22/475032622.db2.gz NXAXEIQDHOVKNU-LJQANCHMSA-N 2 1 345.487 2.638 20 30 EFEDMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000328590430 475032630 /nfs/dbraw/zinc/03/26/30/475032630.db2.gz NXAXEIQDHOVKNU-LJQANCHMSA-N 2 1 345.487 2.638 20 30 EFEDMP CC[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000285744394 475039517 /nfs/dbraw/zinc/03/95/17/475039517.db2.gz RGQOLTKSJIQKPJ-IBGZPJMESA-N 2 1 326.488 2.991 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285953947 475048401 /nfs/dbraw/zinc/04/84/01/475048401.db2.gz GHVAUZBNYDEYKT-CQSZACIVSA-N 2 1 329.444 2.709 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000294940648 475093705 /nfs/dbraw/zinc/09/37/05/475093705.db2.gz HYPBYYZDKOPTJW-MRXNPFEDSA-N 2 1 349.906 2.622 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000294940648 475093710 /nfs/dbraw/zinc/09/37/10/475093710.db2.gz HYPBYYZDKOPTJW-MRXNPFEDSA-N 2 1 349.906 2.622 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000295061498 475099677 /nfs/dbraw/zinc/09/96/77/475099677.db2.gz RGRTUGOICICQTH-MRXNPFEDSA-N 2 1 329.444 2.639 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000295061498 475099683 /nfs/dbraw/zinc/09/96/83/475099683.db2.gz RGRTUGOICICQTH-MRXNPFEDSA-N 2 1 329.444 2.639 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000281326635 475170979 /nfs/dbraw/zinc/17/09/79/475170979.db2.gz VLXKWRYSUAWSHC-PXNSSMCTSA-N 2 1 341.499 2.938 20 30 EFEDMP Cc1cc(N2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000330197369 475211340 /nfs/dbraw/zinc/21/13/40/475211340.db2.gz RSFQLWOFVGKTGP-HUUCEWRRSA-N 2 1 345.491 2.892 20 30 EFEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459951 475464858 /nfs/dbraw/zinc/46/48/58/475464858.db2.gz OOMPRLFGNVHSGA-IEBWSBKVSA-N 2 1 345.487 2.816 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342110331 475557389 /nfs/dbraw/zinc/55/73/89/475557389.db2.gz SAPHURYFINHFJX-ONIAQPFYSA-N 2 1 347.528 2.710 20 30 EFEDMP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000348717724 475831366 /nfs/dbraw/zinc/83/13/66/475831366.db2.gz UZQVTYQIBSVFRE-UHFFFAOYSA-N 2 1 330.451 2.656 20 30 EFEDMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353565850 476084623 /nfs/dbraw/zinc/08/46/23/476084623.db2.gz KTWDEHDBOKKSAG-KRWDZBQOSA-N 2 1 328.504 2.841 20 30 EFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000336885216 476178120 /nfs/dbraw/zinc/17/81/20/476178120.db2.gz CUPREFJJUQWHFN-UHFFFAOYSA-N 2 1 337.471 2.661 20 30 EFEDMP N#Cc1ccc(F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000363036484 476536609 /nfs/dbraw/zinc/53/66/09/476536609.db2.gz JJOMZDXDHJVCIX-UHFFFAOYSA-N 2 1 331.435 2.632 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430583438 476868155 /nfs/dbraw/zinc/86/81/55/476868155.db2.gz SFNGNJIJZBBTDH-JYJNAYRXSA-N 2 1 335.517 2.710 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430583438 476868161 /nfs/dbraw/zinc/86/81/61/476868161.db2.gz SFNGNJIJZBBTDH-JYJNAYRXSA-N 2 1 335.517 2.710 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981435 476877499 /nfs/dbraw/zinc/87/74/99/476877499.db2.gz SURFNCYAELCFKN-FPOVZHCZSA-N 2 1 341.499 2.872 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718935 477150010 /nfs/dbraw/zinc/15/00/10/477150010.db2.gz DEBHNRBUNGZUCY-LJQANCHMSA-N 2 1 348.535 2.733 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000371334024 477251093 /nfs/dbraw/zinc/25/10/93/477251093.db2.gz FTTNJAZTSXFCCI-UHFFFAOYSA-N 2 1 332.517 2.610 20 30 EFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424132547 477303146 /nfs/dbraw/zinc/30/31/46/477303146.db2.gz KWPJQZXEXQVTIW-LPHOPBHVSA-N 2 1 342.487 2.698 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000437095462 477670291 /nfs/dbraw/zinc/67/02/91/477670291.db2.gz KNIAVWPSPJRNAL-VNCIIQTRSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C ZINC000437095462 477670297 /nfs/dbraw/zinc/67/02/97/477670297.db2.gz KNIAVWPSPJRNAL-VNCIIQTRSA-N 2 1 328.460 2.716 20 30 EFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298142 477671636 /nfs/dbraw/zinc/67/16/36/477671636.db2.gz GVBWOMKEVCEHBL-SJORKVTESA-N 2 1 340.475 2.601 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329128 477697744 /nfs/dbraw/zinc/69/77/44/477697744.db2.gz GIBZYICGSLBDQM-IYBDPMFKSA-N 2 1 345.512 2.835 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340485 477709728 /nfs/dbraw/zinc/70/97/28/477709728.db2.gz PMZXWMWTQVKRGJ-ZACQAIPSSA-N 2 1 347.528 2.583 20 30 EFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000420984871 477877667 /nfs/dbraw/zinc/87/76/67/477877667.db2.gz UZGWRNIZLNZYFC-UHFFFAOYSA-N 2 1 326.488 2.550 20 30 EFEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000532950412 478012674 /nfs/dbraw/zinc/01/26/74/478012674.db2.gz GBXXSVMGWPTGGQ-UHFFFAOYSA-N 2 1 328.460 2.549 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000532950412 478012679 /nfs/dbraw/zinc/01/26/79/478012679.db2.gz GBXXSVMGWPTGGQ-UHFFFAOYSA-N 2 1 328.460 2.549 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000482131386 478027233 /nfs/dbraw/zinc/02/72/33/478027233.db2.gz GOCRPSJYXSQDCO-ROUUACIJSA-N 2 1 348.535 2.819 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000482165948 478027486 /nfs/dbraw/zinc/02/74/86/478027486.db2.gz RYSFPKXQIVHDCN-LNLFQRSKSA-N 2 1 336.524 2.531 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488838805 478190299 /nfs/dbraw/zinc/19/02/99/478190299.db2.gz DXMXQIUKFMQFGH-QGZVFWFLSA-N 2 1 348.535 2.543 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC000570166868 478299570 /nfs/dbraw/zinc/29/95/70/478299570.db2.gz OLPOHWWXIVVQMC-MJGOQNOKSA-N 2 1 344.503 2.569 20 30 EFEDMP C=CC1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000580656088 478365915 /nfs/dbraw/zinc/36/59/15/478365915.db2.gz HRRYDZDKXPZTQR-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(CC)c2)CC1 ZINC000580769118 478368106 /nfs/dbraw/zinc/36/81/06/478368106.db2.gz GZXDQLQGNMJWIJ-LJQANCHMSA-N 2 1 332.488 2.619 20 30 EFEDMP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000570912639 478477746 /nfs/dbraw/zinc/47/77/46/478477746.db2.gz BIIKIVTZXUDUKL-GPJFCIFZSA-N 2 1 327.472 2.815 20 30 EFEDMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1Cl ZINC000582040237 478494918 /nfs/dbraw/zinc/49/49/18/478494918.db2.gz MHQDGMFBIFEWSO-OAHLLOKOSA-N 2 1 334.895 2.890 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595056301 478642698 /nfs/dbraw/zinc/64/26/98/478642698.db2.gz UQMLXOYODPSGQE-YLJYHZDGSA-N 2 1 329.488 2.827 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595056298 478642776 /nfs/dbraw/zinc/64/27/76/478642776.db2.gz UQMLXOYODPSGQE-FXAWDEMLSA-N 2 1 329.488 2.827 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491812925 478691486 /nfs/dbraw/zinc/69/14/86/478691486.db2.gz PIMGYNUTRQEXLI-IRXDYDNUSA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491812925 478691490 /nfs/dbraw/zinc/69/14/90/478691490.db2.gz PIMGYNUTRQEXLI-IRXDYDNUSA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491812924 478691719 /nfs/dbraw/zinc/69/17/19/478691719.db2.gz PIMGYNUTRQEXLI-IAGOWNOFSA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491812924 478691723 /nfs/dbraw/zinc/69/17/23/478691723.db2.gz PIMGYNUTRQEXLI-IAGOWNOFSA-N 2 1 337.508 2.567 20 30 EFEDMP N#Cc1cccnc1OC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000572366860 478819065 /nfs/dbraw/zinc/81/90/65/478819065.db2.gz WZRNMXAXIISIJU-UHFFFAOYSA-N 2 1 340.471 2.860 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000572475895 478844812 /nfs/dbraw/zinc/84/48/12/478844812.db2.gz ZPGBEHITYWGLMG-INIZCTEOSA-N 2 1 338.879 2.710 20 30 EFEDMP C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000598597284 478919245 /nfs/dbraw/zinc/91/92/45/478919245.db2.gz ZASSFSLRSLDACB-LJQANCHMSA-N 2 1 329.488 2.884 20 30 EFEDMP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000598597284 478919250 /nfs/dbraw/zinc/91/92/50/478919250.db2.gz ZASSFSLRSLDACB-LJQANCHMSA-N 2 1 329.488 2.884 20 30 EFEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599263 478920324 /nfs/dbraw/zinc/92/03/24/478920324.db2.gz IOJRLMDLCTXXCB-LJQANCHMSA-N 2 1 344.503 2.921 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618395 478928927 /nfs/dbraw/zinc/92/89/27/478928927.db2.gz XKJNMYCFSLCLSK-TZIWHRDSSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000598618395 478928933 /nfs/dbraw/zinc/92/89/33/478928933.db2.gz XKJNMYCFSLCLSK-TZIWHRDSSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000598618395 478928939 /nfs/dbraw/zinc/92/89/39/478928939.db2.gz XKJNMYCFSLCLSK-TZIWHRDSSA-N 2 1 341.499 2.885 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000598701529 478979670 /nfs/dbraw/zinc/97/96/70/478979670.db2.gz WMZNHFUCYITQHN-LJQANCHMSA-N 2 1 329.488 2.584 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610813523 479194887 /nfs/dbraw/zinc/19/48/87/479194887.db2.gz JSBOQFSZVIAPAE-PXNSSMCTSA-N 2 1 326.488 2.617 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610813523 479194892 /nfs/dbraw/zinc/19/48/92/479194892.db2.gz JSBOQFSZVIAPAE-PXNSSMCTSA-N 2 1 326.488 2.617 20 30 EFEDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000603110002 479252661 /nfs/dbraw/zinc/25/26/61/479252661.db2.gz IYUPDPIKYAKMLS-UHFFFAOYSA-N 2 1 328.460 2.695 20 30 EFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000603110002 479252664 /nfs/dbraw/zinc/25/26/64/479252664.db2.gz IYUPDPIKYAKMLS-UHFFFAOYSA-N 2 1 328.460 2.695 20 30 EFEDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cccc(C#N)c1 ZINC000603112325 479255771 /nfs/dbraw/zinc/25/57/71/479255771.db2.gz WCCATLFTCIEDRJ-UHFFFAOYSA-N 2 1 328.460 2.695 20 30 EFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cccc(C#N)c1 ZINC000603112325 479255780 /nfs/dbraw/zinc/25/57/80/479255780.db2.gz WCCATLFTCIEDRJ-UHFFFAOYSA-N 2 1 328.460 2.695 20 30 EFEDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392110 479366126 /nfs/dbraw/zinc/36/61/26/479366126.db2.gz LZUZVIYGSJRPAW-NRFANRHFSA-N 2 1 340.515 2.799 20 30 EFEDMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593912127 479505819 /nfs/dbraw/zinc/50/58/19/479505819.db2.gz ASUGCZJKXMJGRK-NTDBWNAOSA-N 2 1 342.487 2.517 20 30 EFEDMP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000615094045 479598619 /nfs/dbraw/zinc/59/86/19/479598619.db2.gz XTDPRNSQAOJVQO-CXUOOODFSA-N 2 1 340.471 2.860 20 30 EFEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000615094048 479599398 /nfs/dbraw/zinc/59/93/98/479599398.db2.gz XTDPRNSQAOJVQO-IAFLDTSXSA-N 2 1 340.471 2.860 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000578315675 479604722 /nfs/dbraw/zinc/60/47/22/479604722.db2.gz AWGFFIPIMWOFGN-HXUWFJFHSA-N 2 1 340.467 2.820 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000644549025 480432795 /nfs/dbraw/zinc/43/27/95/480432795.db2.gz DUQMIHUOJOAVPB-IBGZPJMESA-N 2 1 332.488 2.592 20 30 EFEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534874 524482678 /nfs/dbraw/zinc/48/26/78/524482678.db2.gz RTQQTARAIMTCOD-GOSISDBHSA-N 2 1 340.515 2.844 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000120610866 524938062 /nfs/dbraw/zinc/93/80/62/524938062.db2.gz GAJQIMQBMLOPAU-GASCZTMLSA-N 2 1 333.501 2.941 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671499 534834142 /nfs/dbraw/zinc/83/41/42/534834142.db2.gz FUUIHXIHZNZJSW-NSHDSACASA-N 2 1 342.365 2.796 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174666434 526444975 /nfs/dbraw/zinc/44/49/75/526444975.db2.gz VKJOUWBGZRHJNB-HXUWFJFHSA-N 2 1 341.499 2.808 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000152995110 526604715 /nfs/dbraw/zinc/60/47/15/526604715.db2.gz PKRMUXSZICLRFW-ZDUSSCGKSA-N 2 1 341.297 2.664 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000152995238 526606867 /nfs/dbraw/zinc/60/68/67/526606867.db2.gz PKRMUXSZICLRFW-CYBMUJFWSA-N 2 1 341.297 2.664 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000191478781 528863298 /nfs/dbraw/zinc/86/32/98/528863298.db2.gz YXTISECPRQMDON-SFHVURJKSA-N 2 1 326.444 2.763 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000191478781 528863305 /nfs/dbraw/zinc/86/33/05/528863305.db2.gz YXTISECPRQMDON-SFHVURJKSA-N 2 1 326.444 2.763 20 30 EFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000264253164 535152210 /nfs/dbraw/zinc/15/22/10/535152210.db2.gz YHNYQHQQQNTACK-UHFFFAOYSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261707993 535263219 /nfs/dbraw/zinc/26/32/19/535263219.db2.gz GWIGIEORCSRQJA-DOTOQJQBSA-N 2 1 338.565 2.510 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531487 535548821 /nfs/dbraw/zinc/54/88/21/535548821.db2.gz NUTUNYUSVXMYMV-LALPHHSUSA-N 2 1 338.858 2.724 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262808526 535597901 /nfs/dbraw/zinc/59/79/01/535597901.db2.gz NUTUNYUSVXMYMV-YWPYICTPSA-N 2 1 338.858 2.724 20 30 EFEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760529 536182187 /nfs/dbraw/zinc/18/21/87/536182187.db2.gz ASBBQJKMDGRTDR-HNNXBMFYSA-N 2 1 346.500 2.612 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760529 536182192 /nfs/dbraw/zinc/18/21/92/536182192.db2.gz ASBBQJKMDGRTDR-HNNXBMFYSA-N 2 1 346.500 2.612 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760529 536182193 /nfs/dbraw/zinc/18/21/93/536182193.db2.gz ASBBQJKMDGRTDR-HNNXBMFYSA-N 2 1 346.500 2.612 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760529 536182198 /nfs/dbraw/zinc/18/21/98/536182198.db2.gz ASBBQJKMDGRTDR-HNNXBMFYSA-N 2 1 346.500 2.612 20 30 EFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005107 536362021 /nfs/dbraw/zinc/36/20/21/536362021.db2.gz KYTCRJVSDXHVKG-BBRMVZONSA-N 2 1 329.473 2.953 20 30 EFEDMP C=CCCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389232 547141886 /nfs/dbraw/zinc/14/18/86/547141886.db2.gz TWLSJFOTZSXBSV-IEBWSBKVSA-N 2 1 339.487 2.997 20 30 EFEDMP CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000754857182 575503988 /nfs/dbraw/zinc/50/39/88/575503988.db2.gz BVZFVJNYNOZWOV-KRWDZBQOSA-N 2 1 338.540 2.815 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514270 577368800 /nfs/dbraw/zinc/36/88/00/577368800.db2.gz IIYMSVATQHYDGB-FQEVSTJZSA-N 2 1 330.472 2.631 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000772987964 581385896 /nfs/dbraw/zinc/38/58/96/581385896.db2.gz NHFXAESTABGGPV-QUCCMNQESA-N 2 1 344.499 2.925 20 30 EFEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000772987964 581385899 /nfs/dbraw/zinc/38/58/99/581385899.db2.gz NHFXAESTABGGPV-QUCCMNQESA-N 2 1 344.499 2.925 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001752508316 1249750743 /nfs/dbraw/zinc/75/07/43/1249750743.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001752508316 1249750757 /nfs/dbraw/zinc/75/07/57/1249750757.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752508316 1249750768 /nfs/dbraw/zinc/75/07/68/1249750768.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001752829761 1251594101 /nfs/dbraw/zinc/59/41/01/1251594101.db2.gz VCAWYYBTQJLBAV-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685867 1252171880 /nfs/dbraw/zinc/17/18/80/1252171880.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685867 1252171891 /nfs/dbraw/zinc/17/18/91/1252171891.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685867 1252171895 /nfs/dbraw/zinc/17/18/95/1252171895.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688123 1252192901 /nfs/dbraw/zinc/19/29/01/1252192901.db2.gz QPCVKVNKIPTGHG-MRXNPFEDSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688123 1252192904 /nfs/dbraw/zinc/19/29/04/1252192904.db2.gz QPCVKVNKIPTGHG-MRXNPFEDSA-N 2 1 333.476 2.748 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=C)C)CC1 ZINC001089735535 1252340776 /nfs/dbraw/zinc/34/07/76/1252340776.db2.gz MZRSDPUIGKNIAX-IBGZPJMESA-N 2 1 345.531 2.515 20 30 EFEDMP C[NH+]=C(NCCc1csc2ccccc12)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083128851 1253490134 /nfs/dbraw/zinc/49/01/34/1253490134.db2.gz FLCSUFROPJCVGA-HNNXBMFYSA-N 2 1 342.512 2.846 20 30 EFEDMP C[NH+]=C(NCCc1csc2ccccc12)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083128851 1253490137 /nfs/dbraw/zinc/49/01/37/1253490137.db2.gz FLCSUFROPJCVGA-HNNXBMFYSA-N 2 1 342.512 2.846 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996375131 1255258413 /nfs/dbraw/zinc/25/84/13/1255258413.db2.gz LVFKOHQSLVFWRF-AWEZNQCLSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996381872 1255264626 /nfs/dbraw/zinc/26/46/26/1255264626.db2.gz ZUOQFGWETKEAQU-HZPDHXFCSA-N 2 1 341.927 2.828 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410885 1255771017 /nfs/dbraw/zinc/77/10/17/1255771017.db2.gz ZDQIBVYXPXBNEK-QKNQBKEWSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438523 1255820256 /nfs/dbraw/zinc/82/02/56/1255820256.db2.gz CTOKTFWZOCCAEZ-SJLPKXTDSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438523 1255820267 /nfs/dbraw/zinc/82/02/67/1255820267.db2.gz CTOKTFWZOCCAEZ-SJLPKXTDSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438523 1255820279 /nfs/dbraw/zinc/82/02/79/1255820279.db2.gz CTOKTFWZOCCAEZ-SJLPKXTDSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444663 1255835310 /nfs/dbraw/zinc/83/53/10/1255835310.db2.gz UHUXOECIUSXULC-WSTZPKSXSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485217 1255952803 /nfs/dbraw/zinc/95/28/03/1255952803.db2.gz PIOHGNJFNLAXBA-SVFBPWRDSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534043 1256070532 /nfs/dbraw/zinc/07/05/32/1256070532.db2.gz UHUXOECIUSXULC-QWFCFKBJSA-N 2 1 335.536 2.900 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582248 1256179926 /nfs/dbraw/zinc/17/99/26/1256179926.db2.gz ZFLIHJSBKPUJLW-SVFBPWRDSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000997058238 1256759316 /nfs/dbraw/zinc/75/93/16/1256759316.db2.gz CKPCWPPHVCUEPW-UHFFFAOYSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131708 1257028391 /nfs/dbraw/zinc/02/83/91/1257028391.db2.gz GIJBAHGFXWHMQK-AEFFLSMTSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997138951 1257049179 /nfs/dbraw/zinc/04/91/79/1257049179.db2.gz PLPUOKOJQBNOTM-APWZRJJASA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997160755 1257167652 /nfs/dbraw/zinc/16/76/52/1257167652.db2.gz BTSXEMZBTASQLO-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997189097 1257236230 /nfs/dbraw/zinc/23/62/30/1257236230.db2.gz IKGIELOJGNVCNG-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997189102 1257236744 /nfs/dbraw/zinc/23/67/44/1257236744.db2.gz IKGIELOJGNVCNG-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089910824 1257634437 /nfs/dbraw/zinc/63/44/37/1257634437.db2.gz VSMUDKOURSVONL-MUGJNUQGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997588038 1258067391 /nfs/dbraw/zinc/06/73/91/1258067391.db2.gz YPVMSEPIPNRNFF-BHYGNILZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997588038 1258067396 /nfs/dbraw/zinc/06/73/96/1258067396.db2.gz YPVMSEPIPNRNFF-BHYGNILZSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614063 1258117008 /nfs/dbraw/zinc/11/70/08/1258117008.db2.gz QFBPJAGCOHTTOV-HKUYNNGSSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725511 1258313002 /nfs/dbraw/zinc/31/30/02/1258313002.db2.gz GIOWGTBZXTYTEP-PKOBYXMFSA-N 2 1 335.536 2.901 20 30 EFEDMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001168596033 1258383832 /nfs/dbraw/zinc/38/38/32/1258383832.db2.gz QTZLYBQRNKZBGR-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584317 1258795054 /nfs/dbraw/zinc/79/50/54/1258795054.db2.gz TVBGLLUAJMTVSM-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584317 1258795058 /nfs/dbraw/zinc/79/50/58/1258795058.db2.gz TVBGLLUAJMTVSM-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584317 1258795062 /nfs/dbraw/zinc/79/50/62/1258795062.db2.gz TVBGLLUAJMTVSM-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584317 1258795065 /nfs/dbraw/zinc/79/50/65/1258795065.db2.gz TVBGLLUAJMTVSM-FHWLQOOXSA-N 2 1 331.504 2.645 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005613 1258934472 /nfs/dbraw/zinc/93/44/72/1258934472.db2.gz QTCSENBYWXAFMT-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005613 1258934475 /nfs/dbraw/zinc/93/44/75/1258934475.db2.gz QTCSENBYWXAFMT-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005613 1258934479 /nfs/dbraw/zinc/93/44/79/1258934479.db2.gz QTCSENBYWXAFMT-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005818 1258935934 /nfs/dbraw/zinc/93/59/34/1258935934.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005818 1258935937 /nfs/dbraw/zinc/93/59/37/1258935937.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005818 1258935942 /nfs/dbraw/zinc/93/59/42/1258935942.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998050174 1259031679 /nfs/dbraw/zinc/03/16/79/1259031679.db2.gz KRGQZKSLZWXOEA-SFHVURJKSA-N 2 1 338.455 2.674 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998062107 1259059513 /nfs/dbraw/zinc/05/95/13/1259059513.db2.gz CMLKMYLUCISXFK-GOSISDBHSA-N 2 1 338.455 2.674 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998065846 1259060112 /nfs/dbraw/zinc/06/01/12/1259060112.db2.gz XUXPQPAYVCWXRW-QGZVFWFLSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998099578 1259104330 /nfs/dbraw/zinc/10/43/30/1259104330.db2.gz SKSOECQJTSBHCX-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099578 1259104327 /nfs/dbraw/zinc/10/43/27/1259104327.db2.gz SKSOECQJTSBHCX-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998099578 1259104333 /nfs/dbraw/zinc/10/43/33/1259104333.db2.gz SKSOECQJTSBHCX-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998101385 1259111534 /nfs/dbraw/zinc/11/15/34/1259111534.db2.gz HOPWXNYQMPCLJS-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101385 1259111535 /nfs/dbraw/zinc/11/15/35/1259111535.db2.gz HOPWXNYQMPCLJS-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101385 1259111538 /nfs/dbraw/zinc/11/15/38/1259111538.db2.gz HOPWXNYQMPCLJS-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998101383 1259112216 /nfs/dbraw/zinc/11/22/16/1259112216.db2.gz HOPWXNYQMPCLJS-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101383 1259112223 /nfs/dbraw/zinc/11/22/23/1259112223.db2.gz HOPWXNYQMPCLJS-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998101383 1259112228 /nfs/dbraw/zinc/11/22/28/1259112228.db2.gz HOPWXNYQMPCLJS-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998115959 1259131146 /nfs/dbraw/zinc/13/11/46/1259131146.db2.gz MFVFNORCPIAVAR-DLBZAZTESA-N 2 1 342.487 2.556 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171052 1259184116 /nfs/dbraw/zinc/18/41/16/1259184116.db2.gz JVJXFZKAPLTBON-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901203 1260071857 /nfs/dbraw/zinc/07/18/57/1260071857.db2.gz KQUDWEHYNPLQLQ-BDVYOWHSSA-N 2 1 339.911 2.725 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144923 1260377635 /nfs/dbraw/zinc/37/76/35/1260377635.db2.gz UJSISHUSCBNZCA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144923 1260377641 /nfs/dbraw/zinc/37/76/41/1260377641.db2.gz UJSISHUSCBNZCA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144923 1260377645 /nfs/dbraw/zinc/37/76/45/1260377645.db2.gz UJSISHUSCBNZCA-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999355760 1260538152 /nfs/dbraw/zinc/53/81/52/1260538152.db2.gz XDMMRWGPVPYRKK-RDJZCZTQSA-N 2 1 339.911 2.727 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000999390730 1260588134 /nfs/dbraw/zinc/58/81/34/1260588134.db2.gz HDPJVKHDHKNJLO-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000999390730 1260588135 /nfs/dbraw/zinc/58/81/35/1260588135.db2.gz HDPJVKHDHKNJLO-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999984213 1261024916 /nfs/dbraw/zinc/02/49/16/1261024916.db2.gz OHTYTUJWHZXZMH-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870449 1261196806 /nfs/dbraw/zinc/19/68/06/1261196806.db2.gz PLGKTAAOYFWVIQ-HXUWFJFHSA-N 2 1 335.536 2.855 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586496 1266416670 /nfs/dbraw/zinc/41/66/70/1266416670.db2.gz KXUFVUQRBRHIEN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586496 1266416673 /nfs/dbraw/zinc/41/66/73/1266416673.db2.gz KXUFVUQRBRHIEN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586496 1266416676 /nfs/dbraw/zinc/41/66/76/1266416676.db2.gz KXUFVUQRBRHIEN-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902714 1261690972 /nfs/dbraw/zinc/69/09/72/1261690972.db2.gz WMSYODZVQGGGRK-MKXGPGLRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812915 1262082617 /nfs/dbraw/zinc/08/26/17/1262082617.db2.gz UBRMAXLNJOSWRG-IRXDYDNUSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739858 1262285242 /nfs/dbraw/zinc/28/52/42/1262285242.db2.gz RSUHPYANYDPBIU-HOTGVXAUSA-N 2 1 330.476 2.600 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C(C)(C)C ZINC001486416012 1263095736 /nfs/dbraw/zinc/09/57/36/1263095736.db2.gz HSVCZPQSGLOOFV-CQSZACIVSA-N 2 1 340.899 2.880 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559835 1263221572 /nfs/dbraw/zinc/22/15/72/1263221572.db2.gz QKAURORMVGDTCG-XYPHTWIQSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542741 1263238295 /nfs/dbraw/zinc/23/82/95/1263238295.db2.gz KMLQZTUFLMUCIK-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916252 /nfs/dbraw/zinc/91/62/52/1263916252.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916255 /nfs/dbraw/zinc/91/62/55/1263916255.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916260 /nfs/dbraw/zinc/91/62/60/1263916260.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599016 1264064117 /nfs/dbraw/zinc/06/41/17/1264064117.db2.gz NBGCCZFVKJBLKP-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599016 1264064124 /nfs/dbraw/zinc/06/41/24/1264064124.db2.gz NBGCCZFVKJBLKP-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599016 1264064129 /nfs/dbraw/zinc/06/41/29/1264064129.db2.gz NBGCCZFVKJBLKP-GUDVDZBRSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853433 1264540265 /nfs/dbraw/zinc/54/02/65/1264540265.db2.gz PVHBOOOGANGRCH-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763510 /nfs/dbraw/zinc/76/35/10/1264763510.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763513 /nfs/dbraw/zinc/76/35/13/1264763513.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763524 /nfs/dbraw/zinc/76/35/24/1264763524.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963439 1264769258 /nfs/dbraw/zinc/76/92/58/1264769258.db2.gz UZMUYYRXEYZCOO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963439 1264769264 /nfs/dbraw/zinc/76/92/64/1264769264.db2.gz UZMUYYRXEYZCOO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963439 1264769272 /nfs/dbraw/zinc/76/92/72/1264769272.db2.gz UZMUYYRXEYZCOO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928029 /nfs/dbraw/zinc/92/80/29/1264928029.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928036 /nfs/dbraw/zinc/92/80/36/1264928036.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928040 /nfs/dbraw/zinc/92/80/40/1264928040.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101228 1265143114 /nfs/dbraw/zinc/14/31/14/1265143114.db2.gz PYHDDDSLXXIYMM-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101147 1265143832 /nfs/dbraw/zinc/14/38/32/1265143832.db2.gz XBODFMUEKLQGSK-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101147 1265143836 /nfs/dbraw/zinc/14/38/36/1265143836.db2.gz XBODFMUEKLQGSK-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101147 1265143840 /nfs/dbraw/zinc/14/38/40/1265143840.db2.gz XBODFMUEKLQGSK-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101306 1265145510 /nfs/dbraw/zinc/14/55/10/1265145510.db2.gz DCVXWDKAJUFVSW-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101306 1265145515 /nfs/dbraw/zinc/14/55/15/1265145515.db2.gz DCVXWDKAJUFVSW-HOJAQTOUSA-N 2 1 341.499 2.788 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733329456 1265173075 /nfs/dbraw/zinc/17/30/75/1265173075.db2.gz SZDYQFDSVVVNFE-OXJNMPFZSA-N 2 1 343.471 2.710 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586831 1266433443 /nfs/dbraw/zinc/43/34/43/1266433443.db2.gz YYRKTWMXPPZAIE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586831 1266433447 /nfs/dbraw/zinc/43/34/47/1266433447.db2.gz YYRKTWMXPPZAIE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586831 1266433451 /nfs/dbraw/zinc/43/34/51/1266433451.db2.gz YYRKTWMXPPZAIE-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592334 1266602056 /nfs/dbraw/zinc/60/20/56/1266602056.db2.gz HZAKQZSLKQFKIU-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592334 1266602064 /nfs/dbraw/zinc/60/20/64/1266602064.db2.gz HZAKQZSLKQFKIU-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592334 1266602071 /nfs/dbraw/zinc/60/20/71/1266602071.db2.gz HZAKQZSLKQFKIU-ZGXWSNOMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004377027 1266824830 /nfs/dbraw/zinc/82/48/30/1266824830.db2.gz XTOXGOSLLGVJTL-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004377027 1266824842 /nfs/dbraw/zinc/82/48/42/1266824842.db2.gz XTOXGOSLLGVJTL-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085229779 1266888699 /nfs/dbraw/zinc/88/86/99/1266888699.db2.gz JWKFHWTTXRXGEG-QRVBRYPASA-N 2 1 345.531 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085229779 1266888719 /nfs/dbraw/zinc/88/87/19/1266888719.db2.gz JWKFHWTTXRXGEG-QRVBRYPASA-N 2 1 345.531 2.537 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004440722 1267004737 /nfs/dbraw/zinc/00/47/37/1267004737.db2.gz FIPMHTFEQWATEL-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004440722 1267004746 /nfs/dbraw/zinc/00/47/46/1267004746.db2.gz FIPMHTFEQWATEL-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004440722 1267004755 /nfs/dbraw/zinc/00/47/55/1267004755.db2.gz FIPMHTFEQWATEL-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004445885 1267018650 /nfs/dbraw/zinc/01/86/50/1267018650.db2.gz JJSATOMJPNCZGS-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004445885 1267018661 /nfs/dbraw/zinc/01/86/61/1267018661.db2.gz JJSATOMJPNCZGS-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004445885 1267018668 /nfs/dbraw/zinc/01/86/68/1267018668.db2.gz JJSATOMJPNCZGS-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004454867 1267080591 /nfs/dbraw/zinc/08/05/91/1267080591.db2.gz APRCZQQLDIUKGO-IBGZPJMESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004456275 1267083430 /nfs/dbraw/zinc/08/34/30/1267083430.db2.gz CVIANYSKJVBILL-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004457671 1267087303 /nfs/dbraw/zinc/08/73/03/1267087303.db2.gz JSNMIBBZWUOZIB-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457671 1267087310 /nfs/dbraw/zinc/08/73/10/1267087310.db2.gz JSNMIBBZWUOZIB-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457671 1267087318 /nfs/dbraw/zinc/08/73/18/1267087318.db2.gz JSNMIBBZWUOZIB-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004460534 1267100126 /nfs/dbraw/zinc/10/01/26/1267100126.db2.gz ZUDDLZZVYYIJOA-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460534 1267100129 /nfs/dbraw/zinc/10/01/29/1267100129.db2.gz ZUDDLZZVYYIJOA-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460534 1267100135 /nfs/dbraw/zinc/10/01/35/1267100135.db2.gz ZUDDLZZVYYIJOA-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004465230 1267105870 /nfs/dbraw/zinc/10/58/70/1267105870.db2.gz BEKXTZLJUQQQNB-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472173 1267119153 /nfs/dbraw/zinc/11/91/53/1267119153.db2.gz DMLXAMSQOMPBPM-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472173 1267119155 /nfs/dbraw/zinc/11/91/55/1267119155.db2.gz DMLXAMSQOMPBPM-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472173 1267119164 /nfs/dbraw/zinc/11/91/64/1267119164.db2.gz DMLXAMSQOMPBPM-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004480534 1267135212 /nfs/dbraw/zinc/13/52/12/1267135212.db2.gz KHEKOSOZZCBKJX-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480534 1267135216 /nfs/dbraw/zinc/13/52/16/1267135216.db2.gz KHEKOSOZZCBKJX-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480534 1267135221 /nfs/dbraw/zinc/13/52/21/1267135221.db2.gz KHEKOSOZZCBKJX-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004480523 1267135503 /nfs/dbraw/zinc/13/55/03/1267135503.db2.gz KHEKOSOZZCBKJX-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480523 1267135506 /nfs/dbraw/zinc/13/55/06/1267135506.db2.gz KHEKOSOZZCBKJX-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480523 1267135511 /nfs/dbraw/zinc/13/55/11/1267135511.db2.gz KHEKOSOZZCBKJX-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004519009 1267208006 /nfs/dbraw/zinc/20/80/06/1267208006.db2.gz BQVTUHFVPBTEHE-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004519009 1267208016 /nfs/dbraw/zinc/20/80/16/1267208016.db2.gz BQVTUHFVPBTEHE-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004519009 1267208027 /nfs/dbraw/zinc/20/80/27/1267208027.db2.gz BQVTUHFVPBTEHE-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004527962 1267227911 /nfs/dbraw/zinc/22/79/11/1267227911.db2.gz MXBCXLDRKPELPO-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527962 1267227916 /nfs/dbraw/zinc/22/79/16/1267227916.db2.gz MXBCXLDRKPELPO-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004527962 1267227923 /nfs/dbraw/zinc/22/79/23/1267227923.db2.gz MXBCXLDRKPELPO-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540521 1267253560 /nfs/dbraw/zinc/25/35/60/1267253560.db2.gz RJWLVSHZTZMRKF-RTBURBONSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004547667 1267270304 /nfs/dbraw/zinc/27/03/04/1267270304.db2.gz PBFIPEROJNYEGY-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004547667 1267270316 /nfs/dbraw/zinc/27/03/16/1267270316.db2.gz PBFIPEROJNYEGY-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539356 1267278648 /nfs/dbraw/zinc/27/86/48/1267278648.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004539356 1267278651 /nfs/dbraw/zinc/27/86/51/1267278651.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004539356 1267278658 /nfs/dbraw/zinc/27/86/58/1267278658.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001171069909 1278319007 /nfs/dbraw/zinc/31/90/07/1278319007.db2.gz RQVOHIJXENVQJN-ROUUACIJSA-N 2 1 331.460 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004571942 1267309268 /nfs/dbraw/zinc/30/92/68/1267309268.db2.gz XPHMVIWPKKPAPX-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001004581003 1267329528 /nfs/dbraw/zinc/32/95/28/1267329528.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001004581003 1267329536 /nfs/dbraw/zinc/32/95/36/1267329536.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001004581003 1267329545 /nfs/dbraw/zinc/32/95/45/1267329545.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001004581004 1267330538 /nfs/dbraw/zinc/33/05/38/1267330538.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001004581004 1267330550 /nfs/dbraw/zinc/33/05/50/1267330550.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001004581004 1267330561 /nfs/dbraw/zinc/33/05/61/1267330561.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 1 344.503 2.867 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631615 1267342458 /nfs/dbraw/zinc/34/24/58/1267342458.db2.gz QNRNJTQSOYMIDE-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631615 1267342467 /nfs/dbraw/zinc/34/24/67/1267342467.db2.gz QNRNJTQSOYMIDE-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631615 1267342477 /nfs/dbraw/zinc/34/24/77/1267342477.db2.gz QNRNJTQSOYMIDE-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004586944 1267344494 /nfs/dbraw/zinc/34/44/94/1267344494.db2.gz WKMRIWFFCPVRQF-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004608707 1267393500 /nfs/dbraw/zinc/39/35/00/1267393500.db2.gz BBWUQSFBXIXLKP-LJQANCHMSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004617963 1267412189 /nfs/dbraw/zinc/41/21/89/1267412189.db2.gz UYTJJAJLVBXEIB-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004617963 1267412191 /nfs/dbraw/zinc/41/21/91/1267412191.db2.gz UYTJJAJLVBXEIB-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004617963 1267412192 /nfs/dbraw/zinc/41/21/92/1267412192.db2.gz UYTJJAJLVBXEIB-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653710 1267545450 /nfs/dbraw/zinc/54/54/50/1267545450.db2.gz CBHIJJWSEGYICH-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653710 1267545453 /nfs/dbraw/zinc/54/54/53/1267545453.db2.gz CBHIJJWSEGYICH-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653710 1267545457 /nfs/dbraw/zinc/54/54/57/1267545457.db2.gz CBHIJJWSEGYICH-HDICACEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033159842 1267581376 /nfs/dbraw/zinc/58/13/76/1267581376.db2.gz APBCTDUVOZMDHQ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033159842 1267581384 /nfs/dbraw/zinc/58/13/84/1267581384.db2.gz APBCTDUVOZMDHQ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033159842 1267581391 /nfs/dbraw/zinc/58/13/91/1267581391.db2.gz APBCTDUVOZMDHQ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033159842 1267581400 /nfs/dbraw/zinc/58/14/00/1267581400.db2.gz APBCTDUVOZMDHQ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033159842 1267581404 /nfs/dbraw/zinc/58/14/04/1267581404.db2.gz APBCTDUVOZMDHQ-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697664 1267734779 /nfs/dbraw/zinc/73/47/79/1267734779.db2.gz WQLQDMLEOFPPGG-HSALFYBXSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728297 1267806056 /nfs/dbraw/zinc/80/60/56/1267806056.db2.gz DIRMMTQFRRZOCI-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728297 1267806067 /nfs/dbraw/zinc/80/60/67/1267806067.db2.gz DIRMMTQFRRZOCI-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728297 1267806080 /nfs/dbraw/zinc/80/60/80/1267806080.db2.gz DIRMMTQFRRZOCI-HSALFYBXSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728814 1267808452 /nfs/dbraw/zinc/80/84/52/1267808452.db2.gz OMLFADADVNLSJA-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728814 1267808473 /nfs/dbraw/zinc/80/84/73/1267808473.db2.gz OMLFADADVNLSJA-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728814 1267808493 /nfs/dbraw/zinc/80/84/93/1267808493.db2.gz OMLFADADVNLSJA-ZCNNSNEGSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1 ZINC001168746235 1267841352 /nfs/dbraw/zinc/84/13/52/1267841352.db2.gz GGXNGGGZTQVKQU-GOSISDBHSA-N 2 1 327.476 2.604 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186890511 1267871708 /nfs/dbraw/zinc/87/17/08/1267871708.db2.gz VRJBCLLMPHQVTM-IBGZPJMESA-N 2 1 340.471 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598709 1267965179 /nfs/dbraw/zinc/96/51/79/1267965179.db2.gz YLQQVQVQQROHLS-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598709 1267965186 /nfs/dbraw/zinc/96/51/86/1267965186.db2.gz YLQQVQVQQROHLS-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598709 1267965191 /nfs/dbraw/zinc/96/51/91/1267965191.db2.gz YLQQVQVQQROHLS-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742292 1268392521 /nfs/dbraw/zinc/39/25/21/1268392521.db2.gz NHMXUTDPZAGVMU-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085779740 1268495404 /nfs/dbraw/zinc/49/54/04/1268495404.db2.gz BVVKEBWQEGYMTK-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085779740 1268495410 /nfs/dbraw/zinc/49/54/10/1268495410.db2.gz BVVKEBWQEGYMTK-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085779740 1268495414 /nfs/dbraw/zinc/49/54/14/1268495414.db2.gz BVVKEBWQEGYMTK-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085779740 1268495421 /nfs/dbraw/zinc/49/54/21/1268495421.db2.gz BVVKEBWQEGYMTK-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128881 1268719476 /nfs/dbraw/zinc/71/94/76/1268719476.db2.gz ZCVNRWNRLUBECT-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419501 1269122446 /nfs/dbraw/zinc/12/24/46/1269122446.db2.gz ACNHISDHGLJLLO-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984607 1269409950 /nfs/dbraw/zinc/40/99/50/1269409950.db2.gz IQUNHMJQPKCBTP-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700050 1269869701 /nfs/dbraw/zinc/86/97/01/1269869701.db2.gz TVOZXYBQTZNQKZ-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832465 1270296531 /nfs/dbraw/zinc/29/65/31/1270296531.db2.gz FWPIRSSEFDTUAF-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832465 1270296537 /nfs/dbraw/zinc/29/65/37/1270296537.db2.gz FWPIRSSEFDTUAF-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832465 1270296541 /nfs/dbraw/zinc/29/65/41/1270296541.db2.gz FWPIRSSEFDTUAF-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395124 1270333335 /nfs/dbraw/zinc/33/33/35/1270333335.db2.gz HWUCMFASTILUEP-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033888206 1270494387 /nfs/dbraw/zinc/49/43/87/1270494387.db2.gz RGXQOZLLQYOMNK-QGZVFWFLSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939139 1270702004 /nfs/dbraw/zinc/70/20/04/1270702004.db2.gz GAXUKRAIISKMJW-PKOBYXMFSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939139 1270702008 /nfs/dbraw/zinc/70/20/08/1270702008.db2.gz GAXUKRAIISKMJW-PKOBYXMFSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005497114 1270851695 /nfs/dbraw/zinc/85/16/95/1270851695.db2.gz LDCGWWGYGYPRCH-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005497114 1270851699 /nfs/dbraw/zinc/85/16/99/1270851699.db2.gz LDCGWWGYGYPRCH-MRXNPFEDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502418 1271029689 /nfs/dbraw/zinc/02/96/89/1271029689.db2.gz FFHPNRAYRAHCQZ-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387467 1271246113 /nfs/dbraw/zinc/24/61/13/1271246113.db2.gz GAZFDHMUWWDXRM-BFYDXBDKSA-N 2 1 339.911 2.630 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292665 1271575929 /nfs/dbraw/zinc/57/59/29/1271575929.db2.gz SPTXSVZXARXNCY-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332554 1271678666 /nfs/dbraw/zinc/67/86/66/1271678666.db2.gz ZRQQVCLTVFAHMR-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367690 1271756186 /nfs/dbraw/zinc/75/61/86/1271756186.db2.gz HEBKDIZFYAPZLJ-ICSRJNTNSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367690 1271756190 /nfs/dbraw/zinc/75/61/90/1271756190.db2.gz HEBKDIZFYAPZLJ-ICSRJNTNSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367690 1271756196 /nfs/dbraw/zinc/75/61/96/1271756196.db2.gz HEBKDIZFYAPZLJ-ICSRJNTNSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404569 1271908874 /nfs/dbraw/zinc/90/88/74/1271908874.db2.gz KLKUNIKLCOLUQZ-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476121 1272065017 /nfs/dbraw/zinc/06/50/17/1272065017.db2.gz BIUAGFXRVMFGKL-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034479691 1272082114 /nfs/dbraw/zinc/08/21/14/1272082114.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034479691 1272082122 /nfs/dbraw/zinc/08/21/22/1272082122.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034479691 1272082132 /nfs/dbraw/zinc/08/21/32/1272082132.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543765 1272257846 /nfs/dbraw/zinc/25/78/46/1272257846.db2.gz JMBFUECSUVQHOW-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659400 1272465142 /nfs/dbraw/zinc/46/51/42/1272465142.db2.gz SFRLHNKXSKOOHD-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005580460 1272492819 /nfs/dbraw/zinc/49/28/19/1272492819.db2.gz GPMVQOCNLDHSDA-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)CN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640341 1272656121 /nfs/dbraw/zinc/65/61/21/1272656121.db2.gz PRKBUCLMFXOERD-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640341 1272656127 /nfs/dbraw/zinc/65/61/27/1272656127.db2.gz PRKBUCLMFXOERD-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640341 1272656133 /nfs/dbraw/zinc/65/61/33/1272656133.db2.gz PRKBUCLMFXOERD-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169125927 1272682546 /nfs/dbraw/zinc/68/25/46/1272682546.db2.gz NXIPIUMYHFEOTJ-AJYBTWMASA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125927 1272682549 /nfs/dbraw/zinc/68/25/49/1272682549.db2.gz NXIPIUMYHFEOTJ-AJYBTWMASA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125927 1272682553 /nfs/dbraw/zinc/68/25/53/1272682553.db2.gz NXIPIUMYHFEOTJ-AJYBTWMASA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169130390 1272687690 /nfs/dbraw/zinc/68/76/90/1272687690.db2.gz NKJFIFIOIMHERC-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130390 1272687701 /nfs/dbraw/zinc/68/77/01/1272687701.db2.gz NKJFIFIOIMHERC-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130390 1272687712 /nfs/dbraw/zinc/68/77/12/1272687712.db2.gz NKJFIFIOIMHERC-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169139420 1272698593 /nfs/dbraw/zinc/69/85/93/1272698593.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169139420 1272698603 /nfs/dbraw/zinc/69/86/03/1272698603.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139420 1272698611 /nfs/dbraw/zinc/69/86/11/1272698611.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001169139420 1272698622 /nfs/dbraw/zinc/69/86/22/1272698622.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034732462 1272755886 /nfs/dbraw/zinc/75/58/86/1272755886.db2.gz BIFQKJCVQGVTAJ-BXWFABGCSA-N 2 1 339.499 2.792 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001034796532 1272989944 /nfs/dbraw/zinc/98/99/44/1272989944.db2.gz IEWZKYKSTDMMLI-JYJNAYRXSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725801 1273413410 /nfs/dbraw/zinc/41/34/10/1273413410.db2.gz LIFDOUKNBPLBDF-OTWHNJEPSA-N 2 1 344.503 2.907 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765299 1273468979 /nfs/dbraw/zinc/46/89/79/1273468979.db2.gz MSKLXQLDCMXIBW-KSZLIROESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778378 1273475171 /nfs/dbraw/zinc/47/51/71/1273475171.db2.gz PZPFHHQAHCECRC-OTWHNJEPSA-N 2 1 344.503 2.907 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198972 1273765524 /nfs/dbraw/zinc/76/55/24/1273765524.db2.gz XRODCACHBZDAGJ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198972 1273765531 /nfs/dbraw/zinc/76/55/31/1273765531.db2.gz XRODCACHBZDAGJ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198972 1273765536 /nfs/dbraw/zinc/76/55/36/1273765536.db2.gz XRODCACHBZDAGJ-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187094 1273793611 /nfs/dbraw/zinc/79/36/11/1273793611.db2.gz PCWDTIUGRMXEOV-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187094 1273793619 /nfs/dbraw/zinc/79/36/19/1273793619.db2.gz PCWDTIUGRMXEOV-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035191686 1273807313 /nfs/dbraw/zinc/80/73/13/1273807313.db2.gz BHGJMLDBSWDSCE-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191686 1273807317 /nfs/dbraw/zinc/80/73/17/1273807317.db2.gz BHGJMLDBSWDSCE-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191686 1273807324 /nfs/dbraw/zinc/80/73/24/1273807324.db2.gz BHGJMLDBSWDSCE-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193410 1273812679 /nfs/dbraw/zinc/81/26/79/1273812679.db2.gz BMWIHGCHCVYCDN-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193410 1273812684 /nfs/dbraw/zinc/81/26/84/1273812684.db2.gz BMWIHGCHCVYCDN-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193410 1273812692 /nfs/dbraw/zinc/81/26/92/1273812692.db2.gz BMWIHGCHCVYCDN-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035226988 1273847235 /nfs/dbraw/zinc/84/72/35/1273847235.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226988 1273847244 /nfs/dbraw/zinc/84/72/44/1273847244.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226988 1273847252 /nfs/dbraw/zinc/84/72/52/1273847252.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233529 1273884992 /nfs/dbraw/zinc/88/49/92/1273884992.db2.gz HIAGGZSZOSPPGZ-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233529 1273885001 /nfs/dbraw/zinc/88/50/01/1273885001.db2.gz HIAGGZSZOSPPGZ-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233529 1273885011 /nfs/dbraw/zinc/88/50/11/1273885011.db2.gz HIAGGZSZOSPPGZ-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236839 1273898765 /nfs/dbraw/zinc/89/87/65/1273898765.db2.gz DXTNZWPPDHEXPY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236839 1273898775 /nfs/dbraw/zinc/89/87/75/1273898775.db2.gz DXTNZWPPDHEXPY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236839 1273898782 /nfs/dbraw/zinc/89/87/82/1273898782.db2.gz DXTNZWPPDHEXPY-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035260270 1273955829 /nfs/dbraw/zinc/95/58/29/1273955829.db2.gz SWHCAKURBYZVPV-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109304290 1274117978 /nfs/dbraw/zinc/11/79/78/1274117978.db2.gz TZAHZXKSVZHFLP-QQXKLLMISA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304290 1274117982 /nfs/dbraw/zinc/11/79/82/1274117982.db2.gz TZAHZXKSVZHFLP-QQXKLLMISA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304290 1274117987 /nfs/dbraw/zinc/11/79/87/1274117987.db2.gz TZAHZXKSVZHFLP-QQXKLLMISA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399468 1274240169 /nfs/dbraw/zinc/24/01/69/1274240169.db2.gz LAGFDUQHUKJKKQ-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399468 1274240172 /nfs/dbraw/zinc/24/01/72/1274240172.db2.gz LAGFDUQHUKJKKQ-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399468 1274240175 /nfs/dbraw/zinc/24/01/75/1274240175.db2.gz LAGFDUQHUKJKKQ-YRXWBPOGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474518 1274315919 /nfs/dbraw/zinc/31/59/19/1274315919.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474518 1274315925 /nfs/dbraw/zinc/31/59/25/1274315925.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474518 1274315933 /nfs/dbraw/zinc/31/59/33/1274315933.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035719804 1274405040 /nfs/dbraw/zinc/40/50/40/1274405040.db2.gz AYZSUOFODUJYOQ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000804128168 1274405229 /nfs/dbraw/zinc/40/52/29/1274405229.db2.gz UDHMLNFUBACKNU-KRWDZBQOSA-N 2 1 337.895 2.957 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035720125 1274405867 /nfs/dbraw/zinc/40/58/67/1274405867.db2.gz KLNABCANJJRHMH-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555413 1274424580 /nfs/dbraw/zinc/42/45/80/1274424580.db2.gz POMRYKUGXWSRQW-YDZRNGNQSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671654 1274545479 /nfs/dbraw/zinc/54/54/79/1274545479.db2.gz VUGIEWCKRDMZGX-QYZOEREBSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814582 1274549166 /nfs/dbraw/zinc/54/91/66/1274549166.db2.gz PIGORXYKVQULMJ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918737 1274815900 /nfs/dbraw/zinc/81/59/00/1274815900.db2.gz XOSCZNADROPLSA-QYZOEREBSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967963 1274920200 /nfs/dbraw/zinc/92/02/00/1274920200.db2.gz UFMNRBOIOMNGLF-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967963 1274920206 /nfs/dbraw/zinc/92/02/06/1274920206.db2.gz UFMNRBOIOMNGLF-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967963 1274920211 /nfs/dbraw/zinc/92/02/11/1274920211.db2.gz UFMNRBOIOMNGLF-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967963 1274920216 /nfs/dbraw/zinc/92/02/16/1274920216.db2.gz UFMNRBOIOMNGLF-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967847 1274920937 /nfs/dbraw/zinc/92/09/37/1274920937.db2.gz OWFRKUZMLCLZPC-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967847 1274920948 /nfs/dbraw/zinc/92/09/48/1274920948.db2.gz OWFRKUZMLCLZPC-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967847 1274920954 /nfs/dbraw/zinc/92/09/54/1274920954.db2.gz OWFRKUZMLCLZPC-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967847 1274920963 /nfs/dbraw/zinc/92/09/63/1274920963.db2.gz OWFRKUZMLCLZPC-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982750 1274943443 /nfs/dbraw/zinc/94/34/43/1274943443.db2.gz QAOSQYJXCSAYSF-SQNIBIBYSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112545821 1275107625 /nfs/dbraw/zinc/10/76/25/1275107625.db2.gz FSRIWWQHGZIJSC-ICSRJNTNSA-N 2 1 344.503 2.766 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112909459 1276229370 /nfs/dbraw/zinc/22/93/70/1276229370.db2.gz RAZDPKCDMQVKNB-QGZVFWFLSA-N 2 1 329.504 2.781 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996036 1276286744 /nfs/dbraw/zinc/28/67/44/1276286744.db2.gz PRSFSPIXMJSYPQ-IRXDYDNUSA-N 2 1 344.503 2.663 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996035 1276286766 /nfs/dbraw/zinc/28/67/66/1276286766.db2.gz PRSFSPIXMJSYPQ-IAGOWNOFSA-N 2 1 344.503 2.663 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135996775 1276287377 /nfs/dbraw/zinc/28/73/77/1276287377.db2.gz VQLOWZZSPLNNPJ-IAGOWNOFSA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877713 1276308605 /nfs/dbraw/zinc/30/86/05/1276308605.db2.gz FUNSBESLGZWOPL-SJORKVTESA-N 2 1 332.492 2.685 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846195 1276527806 /nfs/dbraw/zinc/52/78/06/1276527806.db2.gz UYTHAFUXFNGMBT-BGYRXZFFSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873224 1276563527 /nfs/dbraw/zinc/56/35/27/1276563527.db2.gz LFLDHHLTJKYVGJ-FQEVSTJZSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873225 1276563640 /nfs/dbraw/zinc/56/36/40/1276563640.db2.gz LFLDHHLTJKYVGJ-HXUWFJFHSA-N 2 1 345.531 2.730 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929145 1287235609 /nfs/dbraw/zinc/23/56/09/1287235609.db2.gz ODNQFJOTRKDURM-WBVHZDCISA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929003 1287233743 /nfs/dbraw/zinc/23/37/43/1287233743.db2.gz NZODDUFYKQKSPI-AEFFLSMTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929005 1287233909 /nfs/dbraw/zinc/23/39/09/1287233909.db2.gz NZODDUFYKQKSPI-SJLPKXTDSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005893465 1276696600 /nfs/dbraw/zinc/69/66/00/1276696600.db2.gz YDXQGCRNMXQBTR-KRWDZBQOSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522452 1278015244 /nfs/dbraw/zinc/01/52/44/1278015244.db2.gz AHDLQKPYMWZRQQ-GHTZIAJQSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029772 1279359146 /nfs/dbraw/zinc/35/91/46/1279359146.db2.gz WLAJCEOCLHHNRQ-LXPRWKDFSA-N 2 1 333.520 2.702 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091075817 1279556014 /nfs/dbraw/zinc/55/60/14/1279556014.db2.gz APEVSWMWDRPYFU-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091075817 1279556022 /nfs/dbraw/zinc/55/60/22/1279556022.db2.gz APEVSWMWDRPYFU-MHJFOBGBSA-N 2 1 345.531 2.539 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175289994 1287375339 /nfs/dbraw/zinc/37/53/39/1287375339.db2.gz XUIAATGIEVRGGP-INIZCTEOSA-N 2 1 348.491 2.725 20 30 EFEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001144569628 1279850399 /nfs/dbraw/zinc/85/03/99/1279850399.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569628 1279850409 /nfs/dbraw/zinc/85/04/09/1279850409.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569628 1279850426 /nfs/dbraw/zinc/85/04/26/1279850426.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 2 1 338.495 2.848 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001114262422 1280066268 /nfs/dbraw/zinc/06/62/68/1280066268.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262422 1280066275 /nfs/dbraw/zinc/06/62/75/1280066275.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262422 1280066283 /nfs/dbraw/zinc/06/62/83/1280066283.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086625119 1280343891 /nfs/dbraw/zinc/34/38/91/1280343891.db2.gz LVMHGOFOJUHBOC-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001086625119 1280343899 /nfs/dbraw/zinc/34/38/99/1280343899.db2.gz LVMHGOFOJUHBOC-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001086625119 1280343911 /nfs/dbraw/zinc/34/39/11/1280343911.db2.gz LVMHGOFOJUHBOC-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248272 1280440094 /nfs/dbraw/zinc/44/00/94/1280440094.db2.gz RJXCQGKYFGTSLT-IAGOWNOFSA-N 2 1 332.492 2.991 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248981 1280447987 /nfs/dbraw/zinc/44/79/87/1280447987.db2.gz ZRWZQIXDWJRCFW-HKUYNNGSSA-N 2 1 333.520 2.681 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCC ZINC001171307918 1281192358 /nfs/dbraw/zinc/19/23/58/1281192358.db2.gz NKLXFDIUNKQZQU-OALUTQOASA-N 2 1 335.536 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCC ZINC001171307918 1281192363 /nfs/dbraw/zinc/19/23/63/1281192363.db2.gz NKLXFDIUNKQZQU-OALUTQOASA-N 2 1 335.536 2.929 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171307980 1281192458 /nfs/dbraw/zinc/19/24/58/1281192458.db2.gz OADTWDNVLPBPKR-ICSRJNTNSA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171307980 1281192462 /nfs/dbraw/zinc/19/24/62/1281192462.db2.gz OADTWDNVLPBPKR-ICSRJNTNSA-N 2 1 347.547 2.929 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170783759 1287479461 /nfs/dbraw/zinc/47/94/61/1287479461.db2.gz GQBCRQZPYYLVKF-QZTJIDSGSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147717572 1281244696 /nfs/dbraw/zinc/24/46/96/1281244696.db2.gz ZSDSDIFPUBVKNL-MOPGFXCFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717572 1281244700 /nfs/dbraw/zinc/24/47/00/1281244700.db2.gz ZSDSDIFPUBVKNL-MOPGFXCFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717572 1281244708 /nfs/dbraw/zinc/24/47/08/1281244708.db2.gz ZSDSDIFPUBVKNL-MOPGFXCFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147985629 1281390486 /nfs/dbraw/zinc/39/04/86/1281390486.db2.gz JVFUEHIANSSTNC-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985629 1281390496 /nfs/dbraw/zinc/39/04/96/1281390496.db2.gz JVFUEHIANSSTNC-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985629 1281390509 /nfs/dbraw/zinc/39/05/09/1281390509.db2.gz JVFUEHIANSSTNC-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494554 /nfs/dbraw/zinc/49/45/54/1281494554.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494558 /nfs/dbraw/zinc/49/45/58/1281494558.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494561 /nfs/dbraw/zinc/49/45/61/1281494561.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713476 1281514143 /nfs/dbraw/zinc/51/41/43/1281514143.db2.gz ZMGRCVTWZGUCSO-APWZRJJASA-N 2 1 347.528 2.780 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477111 1281568105 /nfs/dbraw/zinc/56/81/05/1281568105.db2.gz IQXWHRNBVIVWAT-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476946 1281568865 /nfs/dbraw/zinc/56/88/65/1281568865.db2.gz BOOUXLJKMXYCMK-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737372 1281684444 /nfs/dbraw/zinc/68/44/44/1281684444.db2.gz KHOWBOUENSKTEX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737372 1281684454 /nfs/dbraw/zinc/68/44/54/1281684454.db2.gz KHOWBOUENSKTEX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737372 1281684464 /nfs/dbraw/zinc/68/44/64/1281684464.db2.gz KHOWBOUENSKTEX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738282 1281685926 /nfs/dbraw/zinc/68/59/26/1281685926.db2.gz SXARSUVMEFMITJ-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738282 1281685938 /nfs/dbraw/zinc/68/59/38/1281685938.db2.gz SXARSUVMEFMITJ-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738282 1281685950 /nfs/dbraw/zinc/68/59/50/1281685950.db2.gz SXARSUVMEFMITJ-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833655 1281759999 /nfs/dbraw/zinc/75/99/99/1281759999.db2.gz ILSQOJLAVOHIPC-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833652 1281760149 /nfs/dbraw/zinc/76/01/49/1281760149.db2.gz IGOAOBCVVJQLNE-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910361 1281913046 /nfs/dbraw/zinc/91/30/46/1281913046.db2.gz RQJLFXRMVIIYMF-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925439 1281944810 /nfs/dbraw/zinc/94/48/10/1281944810.db2.gz WWEMMTRUVPWHPO-CEXWTWQISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942391 1281971925 /nfs/dbraw/zinc/97/19/25/1281971925.db2.gz PQUBENDNOBEBQI-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942158 1281972465 /nfs/dbraw/zinc/97/24/65/1281972465.db2.gz KIIKALBKWJOMSO-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942160 1281972725 /nfs/dbraw/zinc/97/27/25/1281972725.db2.gz KIIKALBKWJOMSO-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952834 1282016890 /nfs/dbraw/zinc/01/68/90/1282016890.db2.gz RLFJHKVBADIHLY-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086956973 1282028128 /nfs/dbraw/zinc/02/81/28/1282028128.db2.gz BOAAHYCGEWTLLL-QGZVFWFLSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807520 1282134926 /nfs/dbraw/zinc/13/49/26/1282134926.db2.gz IISKHYYUNRFIJW-UZLBHIALSA-N 2 1 338.455 2.613 20 30 EFEDMP C=CCOc1ccccc1[C@@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171368642 1282170523 /nfs/dbraw/zinc/17/05/23/1282170523.db2.gz IMXVYRYGEBXHRC-OAHLLOKOSA-N 2 1 339.443 2.624 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947427 1282275536 /nfs/dbraw/zinc/27/55/36/1282275536.db2.gz GOFFMPJSXZEIQI-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947427 1282275540 /nfs/dbraw/zinc/27/55/40/1282275540.db2.gz GOFFMPJSXZEIQI-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947427 1282275549 /nfs/dbraw/zinc/27/55/49/1282275549.db2.gz GOFFMPJSXZEIQI-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000809558370 1282307544 /nfs/dbraw/zinc/30/75/44/1282307544.db2.gz NJXKUMCDWPCMRC-RTBURBONSA-N 2 1 325.500 2.658 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190680 1282449528 /nfs/dbraw/zinc/44/95/28/1282449528.db2.gz UGCZJVBJRFYKKB-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190680 1282449532 /nfs/dbraw/zinc/44/95/32/1282449532.db2.gz UGCZJVBJRFYKKB-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190680 1282449541 /nfs/dbraw/zinc/44/95/41/1282449541.db2.gz UGCZJVBJRFYKKB-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303140 1282550138 /nfs/dbraw/zinc/55/01/38/1282550138.db2.gz VAIMQSOXVIEDQH-SBHAEUEKSA-N 2 1 347.547 2.853 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141143 1283065258 /nfs/dbraw/zinc/06/52/58/1283065258.db2.gz OKROYEDZMQPPRF-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141143 1283065265 /nfs/dbraw/zinc/06/52/65/1283065265.db2.gz OKROYEDZMQPPRF-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141143 1283065272 /nfs/dbraw/zinc/06/52/72/1283065272.db2.gz OKROYEDZMQPPRF-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141015 1283065589 /nfs/dbraw/zinc/06/55/89/1283065589.db2.gz NXGPFYKMWIHXHF-QZTJIDSGSA-N 2 1 344.503 2.843 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141522 1283068679 /nfs/dbraw/zinc/06/86/79/1283068679.db2.gz RJXUJBLIPOIKKP-MSOLQXFVSA-N 2 1 344.503 2.843 20 30 EFEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132142183 1283068946 /nfs/dbraw/zinc/06/89/46/1283068946.db2.gz YZCMTBSXYNTRRM-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132142183 1283068957 /nfs/dbraw/zinc/06/89/57/1283068957.db2.gz YZCMTBSXYNTRRM-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132142183 1283068965 /nfs/dbraw/zinc/06/89/65/1283068965.db2.gz YZCMTBSXYNTRRM-IAGOWNOFSA-N 2 1 333.520 2.632 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854523 1283075655 /nfs/dbraw/zinc/07/56/55/1283075655.db2.gz MWORFQZLCJIXJA-IEBWSBKVSA-N 2 1 343.515 2.665 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906916 1283111555 /nfs/dbraw/zinc/11/15/55/1283111555.db2.gz LUAHBYFZPQKIAB-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906916 1283111557 /nfs/dbraw/zinc/11/15/57/1283111557.db2.gz LUAHBYFZPQKIAB-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906916 1283111562 /nfs/dbraw/zinc/11/15/62/1283111562.db2.gz LUAHBYFZPQKIAB-GUDVDZBRSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906915 1283111977 /nfs/dbraw/zinc/11/19/77/1283111977.db2.gz LUAHBYFZPQKIAB-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906915 1283111981 /nfs/dbraw/zinc/11/19/81/1283111981.db2.gz LUAHBYFZPQKIAB-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906915 1283111987 /nfs/dbraw/zinc/11/19/87/1283111987.db2.gz LUAHBYFZPQKIAB-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175931030 1287621419 /nfs/dbraw/zinc/62/14/19/1287621419.db2.gz YNZAHQXADOMQJE-MRXNPFEDSA-N 2 1 341.459 2.722 20 30 EFEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206090 1283155534 /nfs/dbraw/zinc/15/55/34/1283155534.db2.gz DQKLLJNYIZNZNI-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206090 1283155542 /nfs/dbraw/zinc/15/55/42/1283155542.db2.gz DQKLLJNYIZNZNI-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206090 1283155547 /nfs/dbraw/zinc/15/55/47/1283155547.db2.gz DQKLLJNYIZNZNI-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206826 1283157774 /nfs/dbraw/zinc/15/77/74/1283157774.db2.gz OEZVJSNRMIEJEJ-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206826 1283157779 /nfs/dbraw/zinc/15/77/79/1283157779.db2.gz OEZVJSNRMIEJEJ-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206826 1283157784 /nfs/dbraw/zinc/15/77/84/1283157784.db2.gz OEZVJSNRMIEJEJ-MSOLQXFVSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264792 1283216866 /nfs/dbraw/zinc/21/68/66/1283216866.db2.gz BOQQHZPNBSMHFW-DOTOQJQBSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264792 1283216871 /nfs/dbraw/zinc/21/68/71/1283216871.db2.gz BOQQHZPNBSMHFW-DOTOQJQBSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264793 1283217633 /nfs/dbraw/zinc/21/76/33/1283217633.db2.gz BOQQHZPNBSMHFW-NVXWUHKLSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264793 1283217636 /nfs/dbraw/zinc/21/76/36/1283217636.db2.gz BOQQHZPNBSMHFW-NVXWUHKLSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731600 1283295223 /nfs/dbraw/zinc/29/52/23/1283295223.db2.gz WNQABHBDEWRPIW-GOEBONIOSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330482 1283342382 /nfs/dbraw/zinc/34/23/82/1283342382.db2.gz HWQCQTQVNRXGDD-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330482 1283342392 /nfs/dbraw/zinc/34/23/92/1283342392.db2.gz HWQCQTQVNRXGDD-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335519 1283354752 /nfs/dbraw/zinc/35/47/52/1283354752.db2.gz PKOHUZAGLDPPSE-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335519 1283354762 /nfs/dbraw/zinc/35/47/62/1283354762.db2.gz PKOHUZAGLDPPSE-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365121 1283409360 /nfs/dbraw/zinc/40/93/60/1283409360.db2.gz IHOMRCRTNDTRGG-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365121 1283409370 /nfs/dbraw/zinc/40/93/70/1283409370.db2.gz IHOMRCRTNDTRGG-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754258 1283419805 /nfs/dbraw/zinc/41/98/05/1283419805.db2.gz CQSNRDFCBXTPNA-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754258 1283419811 /nfs/dbraw/zinc/41/98/11/1283419811.db2.gz CQSNRDFCBXTPNA-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754258 1283419815 /nfs/dbraw/zinc/41/98/15/1283419815.db2.gz CQSNRDFCBXTPNA-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754433 1283421401 /nfs/dbraw/zinc/42/14/01/1283421401.db2.gz FYTSHCFOLVUDGS-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762213 1283477252 /nfs/dbraw/zinc/47/72/52/1283477252.db2.gz HADVVKDZBVOQEH-MJGOQNOKSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426218 1283552382 /nfs/dbraw/zinc/55/23/82/1283552382.db2.gz UDODIVCMMDLKOU-HZPDHXFCSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426218 1283552389 /nfs/dbraw/zinc/55/23/89/1283552389.db2.gz UDODIVCMMDLKOU-HZPDHXFCSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773721 1283555429 /nfs/dbraw/zinc/55/54/29/1283555429.db2.gz RWGNJLXYOSQGHU-WMLDXEAASA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773722 1283555994 /nfs/dbraw/zinc/55/59/94/1283555994.db2.gz RWGNJLXYOSQGHU-YOEHRIQHSA-N 2 1 344.846 2.623 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176024221 1287660750 /nfs/dbraw/zinc/66/07/50/1287660750.db2.gz NEHXWGIHYIRRKV-KRWDZBQOSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176025196 1287661392 /nfs/dbraw/zinc/66/13/92/1287661392.db2.gz YXTROZZMBXRMPW-CQSZACIVSA-N 2 1 348.329 2.501 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519517 1283782476 /nfs/dbraw/zinc/78/24/76/1283782476.db2.gz ZYRIGRWNDJBUKQ-ICSRJNTNSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093361541 1283784173 /nfs/dbraw/zinc/78/41/73/1283784173.db2.gz LPWXWOZHGXZKQG-RTBURBONSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371197 1283805453 /nfs/dbraw/zinc/80/54/53/1283805453.db2.gz LUUGOMDEGHQJFQ-RTBURBONSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093376904 1283826600 /nfs/dbraw/zinc/82/66/00/1283826600.db2.gz CLKNQEWUPVXQII-LJQANCHMSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093381755 1283847462 /nfs/dbraw/zinc/84/74/62/1283847462.db2.gz UCNOAQISMRPVDD-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381755 1283847478 /nfs/dbraw/zinc/84/74/78/1283847478.db2.gz UCNOAQISMRPVDD-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381755 1283847483 /nfs/dbraw/zinc/84/74/83/1283847483.db2.gz UCNOAQISMRPVDD-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652158 1287671295 /nfs/dbraw/zinc/67/12/95/1287671295.db2.gz RGIJEIDQTHCGSN-WMZOPIPTSA-N 2 1 329.444 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652158 1287671301 /nfs/dbraw/zinc/67/13/01/1287671301.db2.gz RGIJEIDQTHCGSN-WMZOPIPTSA-N 2 1 329.444 2.851 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671841 /nfs/dbraw/zinc/67/18/41/1287671841.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671848 /nfs/dbraw/zinc/67/18/48/1287671848.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671856 /nfs/dbraw/zinc/67/18/56/1287671856.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671863 /nfs/dbraw/zinc/67/18/63/1287671863.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671869 /nfs/dbraw/zinc/67/18/69/1287671869.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815651901 1287671894 /nfs/dbraw/zinc/67/18/94/1287671894.db2.gz IBBIESIBGGZZEO-OAHLLOKOSA-N 2 1 335.289 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815651901 1287671898 /nfs/dbraw/zinc/67/18/98/1287671898.db2.gz IBBIESIBGGZZEO-OAHLLOKOSA-N 2 1 335.289 2.851 20 30 EFEDMP C[C@H](C#N)OCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062587 1284012537 /nfs/dbraw/zinc/01/25/37/1284012537.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062587 1284012545 /nfs/dbraw/zinc/01/25/45/1284012545.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715062587 1284012563 /nfs/dbraw/zinc/01/25/63/1284012563.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062587 1284012572 /nfs/dbraw/zinc/01/25/72/1284012572.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 1 327.472 2.902 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715062587 1284012578 /nfs/dbraw/zinc/01/25/78/1284012578.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 1 327.472 2.902 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060432 /nfs/dbraw/zinc/06/04/32/1284060432.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060440 /nfs/dbraw/zinc/06/04/40/1284060440.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060445 /nfs/dbraw/zinc/06/04/45/1284060445.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841624 1284239129 /nfs/dbraw/zinc/23/91/29/1284239129.db2.gz AVSKIRFOAJDVNO-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854184 1284329654 /nfs/dbraw/zinc/32/96/54/1284329654.db2.gz HNQUTXORERSIAI-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859151 1284337169 /nfs/dbraw/zinc/33/71/69/1284337169.db2.gz LALOSVSZXKMXMZ-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859934 1284338515 /nfs/dbraw/zinc/33/85/15/1284338515.db2.gz XXRUINQCAOFYEP-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132932645 1284484915 /nfs/dbraw/zinc/48/49/15/1284484915.db2.gz KOWNKXLUWVOPAK-HIFRSBDPSA-N 2 1 329.916 2.543 20 30 EFEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120219 1287716699 /nfs/dbraw/zinc/71/66/99/1287716699.db2.gz KZTXJVQANBHKOF-MJGOQNOKSA-N 2 1 329.488 2.577 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120147 1287717311 /nfs/dbraw/zinc/71/73/11/1287717311.db2.gz JRIZFNRSPPLZIB-QUCCMNQESA-N 2 1 343.515 2.967 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142504 1284863732 /nfs/dbraw/zinc/86/37/32/1284863732.db2.gz NQLYEOWHVWGLBO-SJORKVTESA-N 2 1 332.492 2.657 20 30 EFEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185465 1284950409 /nfs/dbraw/zinc/95/04/09/1284950409.db2.gz DJOBOHXDTRFQAQ-RBUKOAKNSA-N 2 1 335.536 2.596 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094429885 1285072033 /nfs/dbraw/zinc/07/20/33/1285072033.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429885 1285072046 /nfs/dbraw/zinc/07/20/46/1285072046.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429885 1285072055 /nfs/dbraw/zinc/07/20/55/1285072055.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434117 1285077895 /nfs/dbraw/zinc/07/78/95/1285077895.db2.gz TUWVOEYSYIUPOF-SQGPQFPESA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434117 1285077904 /nfs/dbraw/zinc/07/79/04/1285077904.db2.gz TUWVOEYSYIUPOF-SQGPQFPESA-N 2 1 342.487 2.697 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433889 1285079569 /nfs/dbraw/zinc/07/95/69/1285079569.db2.gz HYIBCHSLZKUFHF-MBOZVWFJSA-N 2 1 342.487 2.697 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433889 1285079575 /nfs/dbraw/zinc/07/95/75/1285079575.db2.gz HYIBCHSLZKUFHF-MBOZVWFJSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450286 1285119852 /nfs/dbraw/zinc/11/98/52/1285119852.db2.gz JREGXZLWQISSQM-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450286 1285119856 /nfs/dbraw/zinc/11/98/56/1285119856.db2.gz JREGXZLWQISSQM-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450286 1285119859 /nfs/dbraw/zinc/11/98/59/1285119859.db2.gz JREGXZLWQISSQM-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256848 /nfs/dbraw/zinc/25/68/48/1285256848.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256858 /nfs/dbraw/zinc/25/68/58/1285256858.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256867 /nfs/dbraw/zinc/25/68/67/1285256867.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361061 1285259923 /nfs/dbraw/zinc/25/99/23/1285259923.db2.gz SAFJLUXJSSSEPA-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361061 1285259933 /nfs/dbraw/zinc/25/99/33/1285259933.db2.gz SAFJLUXJSSSEPA-AZUAARDMSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537089 1285269472 /nfs/dbraw/zinc/26/94/72/1285269472.db2.gz KQCOOLVEHPTSRS-TZIWHRDSSA-N 2 1 341.499 2.909 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410681 1285372347 /nfs/dbraw/zinc/37/23/47/1285372347.db2.gz VBEZAYKQEMGDKL-UHFFFAOYSA-N 2 1 337.895 2.786 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902695 1285381758 /nfs/dbraw/zinc/38/17/58/1285381758.db2.gz OCPIGHYPOXJZPE-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902616 1285382559 /nfs/dbraw/zinc/38/25/59/1285382559.db2.gz NAUKXXXOKZTSEQ-UXHICEINSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161798 1285506479 /nfs/dbraw/zinc/50/64/79/1285506479.db2.gz UBOCUKXRPAXMSH-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618902 1285681502 /nfs/dbraw/zinc/68/15/02/1285681502.db2.gz NXNBEAKMPLOXTG-KRWDZBQOSA-N 2 1 335.536 2.927 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172118856 1286026930 /nfs/dbraw/zinc/02/69/30/1286026930.db2.gz QVQPKEHVKGXFOO-DOADOZAASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172118856 1286026934 /nfs/dbraw/zinc/02/69/34/1286026934.db2.gz QVQPKEHVKGXFOO-DOADOZAASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118856 1286026936 /nfs/dbraw/zinc/02/69/36/1286026936.db2.gz QVQPKEHVKGXFOO-DOADOZAASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172118856 1286026940 /nfs/dbraw/zinc/02/69/40/1286026940.db2.gz QVQPKEHVKGXFOO-DOADOZAASA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117340 1286027452 /nfs/dbraw/zinc/02/74/52/1286027452.db2.gz IYOLUVYPRXBATP-BCDXTJNWSA-N 2 1 331.504 2.645 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CCCC#N)cc2)CC1 ZINC001172482704 1286144793 /nfs/dbraw/zinc/14/47/93/1286144793.db2.gz JMZFKZKWAPXBTH-SFHVURJKSA-N 2 1 328.504 2.996 20 30 EFEDMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H](C)CCCC#N)CC2)CC1 ZINC001172497068 1286171851 /nfs/dbraw/zinc/17/18/51/1286171851.db2.gz XJDKPOSPSSRDAZ-MRXNPFEDSA-N 2 1 335.492 2.808 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179154270 1289059989 /nfs/dbraw/zinc/05/99/89/1289059989.db2.gz UGRLQEYJGVWBMG-IKGGRYGDSA-N 2 1 344.503 2.696 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234124 1289079752 /nfs/dbraw/zinc/07/97/52/1289079752.db2.gz JPLQOPIMEMUWRB-RDJZCZTQSA-N 2 1 341.927 2.973 20 30 EFEDMP COCCN1CCOC[C@@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286529986 /nfs/dbraw/zinc/52/99/86/1286529986.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 1 349.519 2.520 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773999 1287171481 /nfs/dbraw/zinc/17/14/81/1287171481.db2.gz TZOYBOVPDAKKBB-HZPDHXFCSA-N 2 1 344.503 2.661 20 30 EFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001134774000 1287172033 /nfs/dbraw/zinc/17/20/33/1287172033.db2.gz TZOYBOVPDAKKBB-JKSUJKDBSA-N 2 1 344.503 2.661 20 30 EFEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691441 1288268044 /nfs/dbraw/zinc/26/80/44/1288268044.db2.gz URPYOLDRASFVGR-ZWKOTPCHSA-N 2 1 341.540 2.574 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784739 1288368052 /nfs/dbraw/zinc/36/80/52/1288368052.db2.gz MBJOTHNVUHPPLY-JKSUJKDBSA-N 2 1 341.459 2.720 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001177317178 1288385028 /nfs/dbraw/zinc/38/50/28/1288385028.db2.gz PHTVGJFKTYMHNL-HXUWFJFHSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328143 1288392534 /nfs/dbraw/zinc/39/25/34/1288392534.db2.gz AOHURDDQQKMLRZ-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783607 1288392898 /nfs/dbraw/zinc/39/28/98/1288392898.db2.gz IFXZRPIQPMAQKJ-YESZJQIVSA-N 2 1 341.927 2.735 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368662 1288404939 /nfs/dbraw/zinc/40/49/39/1288404939.db2.gz QGMSMPFAIBTVRF-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177415918 1288423705 /nfs/dbraw/zinc/42/37/05/1288423705.db2.gz OLEILAPNQCDLRS-UHFFFAOYSA-N 2 1 347.547 2.740 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177466884 1288431864 /nfs/dbraw/zinc/43/18/64/1288431864.db2.gz IAOAWOPDCDTZCT-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177466918 1288432083 /nfs/dbraw/zinc/43/20/83/1288432083.db2.gz KTBKMYLGVPPKIN-UHFFFAOYSA-N 2 1 335.536 2.740 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001177437134 1288439977 /nfs/dbraw/zinc/43/99/77/1288439977.db2.gz MYPNLAVWYDOYOW-MRXNPFEDSA-N 2 1 332.492 2.773 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440575 1288442667 /nfs/dbraw/zinc/44/26/67/1288442667.db2.gz LVXPZTWCAXJYTQ-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477257 1288462695 /nfs/dbraw/zinc/46/26/95/1288462695.db2.gz BCBPGUOQKYDTJQ-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477623 1288464114 /nfs/dbraw/zinc/46/41/14/1288464114.db2.gz JREKKJWIOQGJLX-KRWDZBQOSA-N 2 1 341.927 2.689 20 30 EFEDMP CC(C)(Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)c1ccc(C#N)cc1 ZINC001165743247 1312674272 /nfs/dbraw/zinc/67/42/72/1312674272.db2.gz UJWNZBIWZJJTBP-UHFFFAOYSA-N 2 1 336.443 2.623 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178722935 1288868362 /nfs/dbraw/zinc/86/83/62/1288868362.db2.gz WPPURQAGUPYDOL-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178722935 1288868366 /nfs/dbraw/zinc/86/83/66/1288868366.db2.gz WPPURQAGUPYDOL-FQEVSTJZSA-N 2 1 347.547 2.931 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178693181 1288872690 /nfs/dbraw/zinc/87/26/90/1288872690.db2.gz JUUSWDVXKZCPMO-OAHLLOKOSA-N 2 1 338.883 2.779 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693561 1288873327 /nfs/dbraw/zinc/87/33/27/1288873327.db2.gz WFGZLUSIEFOVAN-IBGZPJMESA-N 2 1 333.520 2.683 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554300 1289189032 /nfs/dbraw/zinc/18/90/32/1289189032.db2.gz ZSJQKHLMEGMCLR-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179585084 1289202988 /nfs/dbraw/zinc/20/29/88/1289202988.db2.gz CEADZTSIPWCHBZ-GOSISDBHSA-N 2 1 327.488 2.651 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165894508 1312699372 /nfs/dbraw/zinc/69/93/72/1312699372.db2.gz QVWUTSDQRLAPCB-UHFFFAOYSA-N 2 1 333.520 2.539 20 30 EFEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959118 1290016847 /nfs/dbraw/zinc/01/68/47/1290016847.db2.gz PEFMPAIONUWDRD-DYESRHJHSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959082 1290017454 /nfs/dbraw/zinc/01/74/54/1290017454.db2.gz NOWSUEMCALIHRI-DYESRHJHSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016380023 1312758199 /nfs/dbraw/zinc/75/81/99/1312758199.db2.gz BXMUXXDODWLIKH-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001183026879 1290290824 /nfs/dbraw/zinc/29/08/24/1290290824.db2.gz BSNJKPBIQTZBDH-MOPGFXCFSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240600 1290316944 /nfs/dbraw/zinc/31/69/44/1290316944.db2.gz MCQWRQWSNDRDDZ-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398495 1290339776 /nfs/dbraw/zinc/33/97/76/1290339776.db2.gz BUXVFSXUVLKFJU-JTDSTZFVSA-N 2 1 332.492 2.620 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517179 1290353307 /nfs/dbraw/zinc/35/33/07/1290353307.db2.gz SWVBKQPZGFOTMG-WSTZPKSXSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517091 1290353747 /nfs/dbraw/zinc/35/37/47/1290353747.db2.gz OPDDCVSWBONILM-IMFGXOCKSA-N 2 1 329.488 2.550 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575257 1290368750 /nfs/dbraw/zinc/36/87/50/1290368750.db2.gz LZXMWVUDXAPIHT-WIYYLYMNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575257 1290368761 /nfs/dbraw/zinc/36/87/61/1290368761.db2.gz LZXMWVUDXAPIHT-WIYYLYMNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714363 1290497834 /nfs/dbraw/zinc/49/78/34/1290497834.db2.gz XYJZRZTWRYNSTM-HIFRSBDPSA-N 2 1 329.916 2.543 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892546 1290539265 /nfs/dbraw/zinc/53/92/65/1290539265.db2.gz QKCDTWHNOIURNE-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170812 1290609673 /nfs/dbraw/zinc/60/96/73/1290609673.db2.gz RZKFQAZMJHOSFO-ZWKOTPCHSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546796 1290719044 /nfs/dbraw/zinc/71/90/44/1290719044.db2.gz DKFOXGXPSOHNSO-GDBMZVCRSA-N 2 1 329.916 2.545 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067168 1290828178 /nfs/dbraw/zinc/82/81/78/1290828178.db2.gz AWTABFSKSDTXJF-IAGOWNOFSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598148 1290996841 /nfs/dbraw/zinc/99/68/41/1290996841.db2.gz QCHSCNFLAZPJGR-SFHVURJKSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877031243 1291111141 /nfs/dbraw/zinc/11/11/41/1291111141.db2.gz SFQSYMQJWJRZPK-BFYDXBDKSA-N 2 1 333.863 2.599 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233081417 1312851920 /nfs/dbraw/zinc/85/19/20/1312851920.db2.gz DOFYYDUTMWNIJC-RTWAWAEBSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233081417 1312851924 /nfs/dbraw/zinc/85/19/24/1312851924.db2.gz DOFYYDUTMWNIJC-RTWAWAEBSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233081417 1312851928 /nfs/dbraw/zinc/85/19/28/1312851928.db2.gz DOFYYDUTMWNIJC-RTWAWAEBSA-N 2 1 349.482 2.554 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233081417 1312851930 /nfs/dbraw/zinc/85/19/30/1312851930.db2.gz DOFYYDUTMWNIJC-RTWAWAEBSA-N 2 1 349.482 2.554 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126696 1291589992 /nfs/dbraw/zinc/58/99/92/1291589992.db2.gz LACBGJFYZRVODV-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126696 1291589999 /nfs/dbraw/zinc/58/99/99/1291589999.db2.gz LACBGJFYZRVODV-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126696 1291590006 /nfs/dbraw/zinc/59/00/06/1291590006.db2.gz LACBGJFYZRVODV-GBESFXJTSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561060 1291768781 /nfs/dbraw/zinc/76/87/81/1291768781.db2.gz FLOZUQHRLXLPQV-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP N#Cc1ccc(OCCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878743152 1291772094 /nfs/dbraw/zinc/77/20/94/1291772094.db2.gz AQYGSHCNFLEWKW-UHFFFAOYSA-N 2 1 336.439 2.934 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568095 1291779846 /nfs/dbraw/zinc/77/98/46/1291779846.db2.gz CSQXRIKVBWBJFO-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779464 1312881329 /nfs/dbraw/zinc/88/13/29/1312881329.db2.gz HXEMUGFDJYIVOT-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016616185 1312883578 /nfs/dbraw/zinc/88/35/78/1312883578.db2.gz AHFSUCJCIDZMKK-CVEARBPZSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603282 1291855719 /nfs/dbraw/zinc/85/57/19/1291855719.db2.gz QAGWBVCHECKCDC-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957620907 1291900935 /nfs/dbraw/zinc/90/09/35/1291900935.db2.gz ONJSSONJZCKBET-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635993 1291934919 /nfs/dbraw/zinc/93/49/19/1291934919.db2.gz ROISGVGFMDAPDV-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480571 1312909065 /nfs/dbraw/zinc/90/90/65/1312909065.db2.gz FWNNFZGCQFXOQA-YVSFHVDLSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480571 1312909067 /nfs/dbraw/zinc/90/90/67/1312909067.db2.gz FWNNFZGCQFXOQA-YVSFHVDLSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480571 1312909069 /nfs/dbraw/zinc/90/90/69/1312909069.db2.gz FWNNFZGCQFXOQA-YVSFHVDLSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480571 1312909072 /nfs/dbraw/zinc/90/90/72/1312909072.db2.gz FWNNFZGCQFXOQA-YVSFHVDLSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016663526 1312911643 /nfs/dbraw/zinc/91/16/43/1312911643.db2.gz SRHBAODHKBMWBF-IAGOWNOFSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652822 1292266177 /nfs/dbraw/zinc/26/61/77/1292266177.db2.gz BEPHLGAHVWBTAG-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652822 1292266184 /nfs/dbraw/zinc/26/61/84/1292266184.db2.gz BEPHLGAHVWBTAG-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652822 1292266192 /nfs/dbraw/zinc/26/61/92/1292266192.db2.gz BEPHLGAHVWBTAG-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652820 1292266273 /nfs/dbraw/zinc/26/62/73/1292266273.db2.gz BEPHLGAHVWBTAG-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652820 1292266280 /nfs/dbraw/zinc/26/62/80/1292266280.db2.gz BEPHLGAHVWBTAG-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652820 1292266287 /nfs/dbraw/zinc/26/62/87/1292266287.db2.gz BEPHLGAHVWBTAG-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417447 1312920049 /nfs/dbraw/zinc/92/00/49/1312920049.db2.gz AIXOKZUVLIHFMH-IAGOWNOFSA-N 2 1 333.520 2.702 20 30 EFEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468493 1312931340 /nfs/dbraw/zinc/93/13/40/1312931340.db2.gz LAESSDQUGUKXPN-HOTGVXAUSA-N 2 1 330.476 2.600 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468718 1312931503 /nfs/dbraw/zinc/93/15/03/1312931503.db2.gz MUYCFDKIFAKYEZ-SJORKVTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543196 1292563262 /nfs/dbraw/zinc/56/32/62/1292563262.db2.gz KXDYLTCAYAODIB-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543196 1292563269 /nfs/dbraw/zinc/56/32/69/1292563269.db2.gz KXDYLTCAYAODIB-HNNXBMFYSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493812 1312938192 /nfs/dbraw/zinc/93/81/92/1312938192.db2.gz XANSFGLUGMIRLB-QZTJIDSGSA-N 2 1 344.503 2.955 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493288 1312938360 /nfs/dbraw/zinc/93/83/60/1312938360.db2.gz SGTKUGTZIWQAAQ-QZTJIDSGSA-N 2 1 344.503 2.955 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828691 1292649594 /nfs/dbraw/zinc/64/95/94/1292649594.db2.gz IPOWSEZTZWGWQX-HCXYKTFWSA-N 2 1 335.536 2.900 20 30 EFEDMP CC[NH+](CC)[C@H](CNC(NC)=[NH+]C)c1ccc(C(F)(F)F)cc1 ZINC000303267432 1292918588 /nfs/dbraw/zinc/91/85/88/1292918588.db2.gz XGQQFTGNQXUJGG-CQSZACIVSA-N 2 1 330.398 2.883 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903840 1292924297 /nfs/dbraw/zinc/92/42/97/1292924297.db2.gz NRCLJXGCIVSOCF-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903840 1292924303 /nfs/dbraw/zinc/92/43/03/1292924303.db2.gz NRCLJXGCIVSOCF-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903840 1292924312 /nfs/dbraw/zinc/92/43/12/1292924312.db2.gz NRCLJXGCIVSOCF-FYQPLNBISA-N 2 1 343.515 2.528 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049524472 1312965897 /nfs/dbraw/zinc/96/58/97/1312965897.db2.gz MDHXFYZALMGLCB-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524472 1312965901 /nfs/dbraw/zinc/96/59/01/1312965901.db2.gz MDHXFYZALMGLCB-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524472 1312965904 /nfs/dbraw/zinc/96/59/04/1312965904.db2.gz MDHXFYZALMGLCB-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192780110 1293038010 /nfs/dbraw/zinc/03/80/10/1293038010.db2.gz ZPLJDNKVKAYHOO-WMZOPIPTSA-N 2 1 332.492 2.867 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788753 1312981008 /nfs/dbraw/zinc/98/10/08/1312981008.db2.gz CNFFQSXIDDINJW-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016789005 1312981212 /nfs/dbraw/zinc/98/12/12/1312981212.db2.gz FYSOBVHRZPGIRC-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001049544178 1312990516 /nfs/dbraw/zinc/99/05/16/1312990516.db2.gz BOPSGRCJKRGJHV-DLBZAZTESA-N 2 1 330.476 2.568 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001193463717 1293312823 /nfs/dbraw/zinc/31/28/23/1293312823.db2.gz XLJDDDZQZCFSQI-INIZCTEOSA-N 2 1 332.492 2.966 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730229 1313000235 /nfs/dbraw/zinc/00/02/35/1313000235.db2.gz KAKGJDZRBNNGCX-MSOLQXFVSA-N 2 1 344.503 2.955 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193798202 1293444405 /nfs/dbraw/zinc/44/44/05/1293444405.db2.gz ZZLRGRSLSCGTTA-SFHVURJKSA-N 2 1 334.508 2.856 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275080 1293562250 /nfs/dbraw/zinc/56/22/50/1293562250.db2.gz NTIONNQZBGVSRP-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246314 1293569680 /nfs/dbraw/zinc/56/96/80/1293569680.db2.gz KXCHEDVEECITPL-SFHVURJKSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858659 1313014240 /nfs/dbraw/zinc/01/42/40/1313014240.db2.gz HRMWTRZSBOZLRO-KRWDZBQOSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860070 1313014672 /nfs/dbraw/zinc/01/46/72/1313014672.db2.gz OMQIYLFHEMMLGN-MRXNPFEDSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560255 1313018017 /nfs/dbraw/zinc/01/80/17/1313018017.db2.gz CAKQICOJXNLXSM-RTBURBONSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562107 1313020856 /nfs/dbraw/zinc/02/08/56/1313020856.db2.gz UFFQBDOFBUOPJD-MOPGFXCFSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815662 1313022529 /nfs/dbraw/zinc/02/25/29/1313022529.db2.gz QKYFRWXGSPAVAQ-MOPGFXCFSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815662 1313022533 /nfs/dbraw/zinc/02/25/33/1313022533.db2.gz QKYFRWXGSPAVAQ-MOPGFXCFSA-N 2 1 341.499 2.712 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922985 1313044161 /nfs/dbraw/zinc/04/41/61/1313044161.db2.gz GTHPZZIQDRQFFW-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196024900 1294109200 /nfs/dbraw/zinc/10/92/00/1294109200.db2.gz KQEISLILGCQSKL-GOSISDBHSA-N 2 1 341.515 2.947 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001196309865 1294186519 /nfs/dbraw/zinc/18/65/19/1294186519.db2.gz KCAAFDAVNCICGV-GOSISDBHSA-N 2 1 344.503 2.726 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001196339700 1294203312 /nfs/dbraw/zinc/20/33/12/1294203312.db2.gz BWFKYWLAFWUBHI-SFHVURJKSA-N 2 1 344.503 2.726 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196424495 1294243529 /nfs/dbraw/zinc/24/35/29/1294243529.db2.gz YSHLOCWDTFATFO-MRXNPFEDSA-N 2 1 326.444 2.837 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196524053 1294270535 /nfs/dbraw/zinc/27/05/35/1294270535.db2.gz ZXJLJTOEQFSHLN-KRWDZBQOSA-N 2 1 344.503 2.651 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196524053 1294270539 /nfs/dbraw/zinc/27/05/39/1294270539.db2.gz ZXJLJTOEQFSHLN-KRWDZBQOSA-N 2 1 344.503 2.651 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619841 1294307906 /nfs/dbraw/zinc/30/79/06/1294307906.db2.gz NFUPYJWBTYPOEN-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000303691810 1294563863 /nfs/dbraw/zinc/56/38/63/1294563863.db2.gz AVONEHNHZSYTLK-GOSISDBHSA-N 2 1 340.471 2.954 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCC2)cc1 ZINC000303719225 1294565210 /nfs/dbraw/zinc/56/52/10/1294565210.db2.gz VRWQCYJHFROQEB-SFHVURJKSA-N 2 1 330.476 2.633 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775804 1294580224 /nfs/dbraw/zinc/58/02/24/1294580224.db2.gz HDOWHSPFYQFOPF-AEFFLSMTSA-N 2 1 332.492 2.543 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCCCC1)c1cccc(OC)c1 ZINC000303787232 1294581777 /nfs/dbraw/zinc/58/17/77/1294581777.db2.gz SHWNHRZEZKFKQI-SFHVURJKSA-N 2 1 332.492 2.879 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303785431 1294581796 /nfs/dbraw/zinc/58/17/96/1294581796.db2.gz QITRLYMVQWETFB-KRWDZBQOSA-N 2 1 330.476 2.633 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879693 1294595118 /nfs/dbraw/zinc/59/51/18/1294595118.db2.gz GTCDGAXCUAFSAM-KRWDZBQOSA-N 2 1 332.492 2.543 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1F ZINC000303900136 1294601691 /nfs/dbraw/zinc/60/16/91/1294601691.db2.gz WOQARCNACRYBOI-CYBMUJFWSA-N 2 1 329.423 2.866 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](CC)C2CC2)c1 ZINC000303983643 1294615537 /nfs/dbraw/zinc/61/55/37/1294615537.db2.gz RJBCPFFNVGHWFU-UHFFFAOYSA-N 2 1 334.464 2.695 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345428 1313109247 /nfs/dbraw/zinc/10/92/47/1313109247.db2.gz IIVPOFBIDVWMPL-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258956 1294959307 /nfs/dbraw/zinc/95/93/07/1294959307.db2.gz HCUNQHUFCVPKTJ-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258957 1294960325 /nfs/dbraw/zinc/96/03/25/1294960325.db2.gz HCUNQHUFCVPKTJ-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640242 1313122330 /nfs/dbraw/zinc/12/23/30/1313122330.db2.gz UMRUXALXXLIOPL-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198774828 1295245594 /nfs/dbraw/zinc/24/55/94/1295245594.db2.gz BFEYYNGGADBCEU-QZTJIDSGSA-N 2 1 345.487 2.503 20 30 EFEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000887134155 1295288408 /nfs/dbraw/zinc/28/84/08/1295288408.db2.gz DCMIIKXERQWSOB-KRWDZBQOSA-N 2 1 328.460 2.693 20 30 EFEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198902861 1295303638 /nfs/dbraw/zinc/30/36/38/1295303638.db2.gz QWCKFDSFBWVYON-SJLPKXTDSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953588 1295352724 /nfs/dbraw/zinc/35/27/24/1295352724.db2.gz QWBIRONUHNESDF-SFHVURJKSA-N 2 1 347.503 2.750 20 30 EFEDMP C=CCCC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953551 1295353585 /nfs/dbraw/zinc/35/35/85/1295353585.db2.gz PWDPQNUWKUNRRR-GOSISDBHSA-N 2 1 347.503 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049664670 1313156542 /nfs/dbraw/zinc/15/65/42/1313156542.db2.gz RDYAHSGYHRFECJ-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049664670 1313156544 /nfs/dbraw/zinc/15/65/44/1313156544.db2.gz RDYAHSGYHRFECJ-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049664670 1313156546 /nfs/dbraw/zinc/15/65/46/1313156546.db2.gz RDYAHSGYHRFECJ-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049670757 1313162505 /nfs/dbraw/zinc/16/25/05/1313162505.db2.gz GPYPKJPOOVERNQ-LUKYLMHMSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670757 1313162508 /nfs/dbraw/zinc/16/25/08/1313162508.db2.gz GPYPKJPOOVERNQ-LUKYLMHMSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670757 1313162511 /nfs/dbraw/zinc/16/25/11/1313162511.db2.gz GPYPKJPOOVERNQ-LUKYLMHMSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670757 1313162512 /nfs/dbraw/zinc/16/25/12/1313162512.db2.gz GPYPKJPOOVERNQ-LUKYLMHMSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676277 1313170188 /nfs/dbraw/zinc/17/01/88/1313170188.db2.gz NESZFPWQAQOYCZ-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676277 1313170191 /nfs/dbraw/zinc/17/01/91/1313170191.db2.gz NESZFPWQAQOYCZ-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676277 1313170194 /nfs/dbraw/zinc/17/01/94/1313170194.db2.gz NESZFPWQAQOYCZ-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676278 1313170058 /nfs/dbraw/zinc/17/00/58/1313170058.db2.gz NESZFPWQAQOYCZ-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676278 1313170063 /nfs/dbraw/zinc/17/00/63/1313170063.db2.gz NESZFPWQAQOYCZ-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676278 1313170067 /nfs/dbraw/zinc/17/00/67/1313170067.db2.gz NESZFPWQAQOYCZ-ROUUACIJSA-N 2 1 345.487 2.986 20 30 EFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000304746590 1295748688 /nfs/dbraw/zinc/74/86/88/1295748688.db2.gz FXWUUALMBSRLIB-HZPDHXFCSA-N 2 1 332.492 2.895 20 30 EFEDMP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1cccc(C)c1 ZINC000304759201 1295749998 /nfs/dbraw/zinc/74/99/98/1295749998.db2.gz QXYRMOLYPOXVEY-IAGOWNOFSA-N 2 1 332.492 2.541 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274271007 1296050294 /nfs/dbraw/zinc/05/02/94/1296050294.db2.gz YUSPBYQCXSLRII-FQEVSTJZSA-N 2 1 338.455 2.954 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275413382 1296274454 /nfs/dbraw/zinc/27/44/54/1296274454.db2.gz JSAOGICSETUCHY-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275413382 1296274463 /nfs/dbraw/zinc/27/44/63/1296274463.db2.gz JSAOGICSETUCHY-FQEVSTJZSA-N 2 1 344.478 2.547 20 30 EFEDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205239730 1313257197 /nfs/dbraw/zinc/25/71/97/1313257197.db2.gz DBQQNWUJMXLMFZ-QFIPXVFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030192 1296493484 /nfs/dbraw/zinc/49/34/84/1296493484.db2.gz BZDQZROGVIMRFM-GDAAHCPNSA-N 2 1 326.488 2.697 20 30 EFEDMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030192 1296493497 /nfs/dbraw/zinc/49/34/97/1296493497.db2.gz BZDQZROGVIMRFM-GDAAHCPNSA-N 2 1 326.488 2.697 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283524 1313264304 /nfs/dbraw/zinc/26/43/04/1313264304.db2.gz DNPHDKFSPGFSBP-RBUKOAKNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767671 1313278039 /nfs/dbraw/zinc/27/80/39/1313278039.db2.gz QDRPDFVUXSNQEB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767671 1313278041 /nfs/dbraw/zinc/27/80/41/1313278041.db2.gz QDRPDFVUXSNQEB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767671 1313278043 /nfs/dbraw/zinc/27/80/43/1313278043.db2.gz QDRPDFVUXSNQEB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768216 1313279002 /nfs/dbraw/zinc/27/90/02/1313279002.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768216 1313279004 /nfs/dbraw/zinc/27/90/04/1313279004.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768216 1313279008 /nfs/dbraw/zinc/27/90/08/1313279008.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768700 1313279657 /nfs/dbraw/zinc/27/96/57/1313279657.db2.gz YQMAGFLXRPOMED-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487997 1296629530 /nfs/dbraw/zinc/62/95/30/1296629530.db2.gz UPVSROYQZRZGAY-PMPSAXMXSA-N 2 1 333.501 2.721 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487997 1296629542 /nfs/dbraw/zinc/62/95/42/1296629542.db2.gz UPVSROYQZRZGAY-PMPSAXMXSA-N 2 1 333.501 2.721 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960270672 1296677302 /nfs/dbraw/zinc/67/73/02/1296677302.db2.gz HWLMHMGAPYWRRF-DFQSSKMNSA-N 2 1 341.499 2.522 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452844 1313292435 /nfs/dbraw/zinc/29/24/35/1313292435.db2.gz SLIOIUDUEMVKLV-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462162 1313293753 /nfs/dbraw/zinc/29/37/53/1313293753.db2.gz UHMHKELHIKVYPH-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960300110 1296717464 /nfs/dbraw/zinc/71/74/64/1296717464.db2.gz LTRDZTYOMNSLPY-SMMRIJLZSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000960309553 1296724051 /nfs/dbraw/zinc/72/40/51/1296724051.db2.gz AWMHDZWRFUEUAI-VAMGGRTRSA-N 2 1 341.499 2.807 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205479789 1313297583 /nfs/dbraw/zinc/29/75/83/1313297583.db2.gz YDWUPNWCNPLMKT-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205479789 1313297586 /nfs/dbraw/zinc/29/75/86/1313297586.db2.gz YDWUPNWCNPLMKT-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC#N)cc1 ZINC000776159069 1296758120 /nfs/dbraw/zinc/75/81/20/1296758120.db2.gz VQQYKHZZLNNHLI-JXFKEZNVSA-N 2 1 343.471 2.883 20 30 EFEDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428175 1313319522 /nfs/dbraw/zinc/31/95/22/1313319522.db2.gz PGQRFWPMKSPSOI-JKSUJKDBSA-N 2 1 344.478 2.975 20 30 EFEDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001205687902 1313338774 /nfs/dbraw/zinc/33/87/74/1313338774.db2.gz BSKBCDMZHJDVHK-JOCHJYFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205703815 1313341538 /nfs/dbraw/zinc/34/15/38/1313341538.db2.gz OFFQTQBCACNTQW-UHFFFAOYSA-N 2 1 344.503 2.556 20 30 EFEDMP C[N@@H+](C1CCOCC1)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235530635 1313345686 /nfs/dbraw/zinc/34/56/86/1313345686.db2.gz WDODNNZMYXVPGG-UHFFFAOYSA-N 2 1 327.472 2.828 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631515 1313362312 /nfs/dbraw/zinc/36/23/12/1313362312.db2.gz ADFNCUCQJYTCLY-ZWKOTPCHSA-N 2 1 332.492 2.969 20 30 EFEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835214 1313364632 /nfs/dbraw/zinc/36/46/32/1313364632.db2.gz GZYAILORYIFBPE-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835214 1313364636 /nfs/dbraw/zinc/36/46/36/1313364636.db2.gz GZYAILORYIFBPE-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835214 1313364638 /nfs/dbraw/zinc/36/46/38/1313364638.db2.gz GZYAILORYIFBPE-AQNXPRMDSA-N 2 1 345.531 2.730 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007110 1313390500 /nfs/dbraw/zinc/39/05/00/1313390500.db2.gz ZBXPZXIJQGEDAL-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206274246 1313429591 /nfs/dbraw/zinc/42/95/91/1313429591.db2.gz FWUJRVDECKOICH-GOSISDBHSA-N 2 1 335.536 2.903 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235968555 1313425117 /nfs/dbraw/zinc/42/51/17/1313425117.db2.gz IPYOLRGFSPNXRY-JLSDUUJJSA-N 2 1 349.425 2.892 20 30 EFEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235968555 1313425120 /nfs/dbraw/zinc/42/51/20/1313425120.db2.gz IPYOLRGFSPNXRY-JLSDUUJJSA-N 2 1 349.425 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610229 1313437656 /nfs/dbraw/zinc/43/76/56/1313437656.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017610229 1313437659 /nfs/dbraw/zinc/43/76/59/1313437659.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017610229 1313437662 /nfs/dbraw/zinc/43/76/62/1313437662.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017618240 1313441566 /nfs/dbraw/zinc/44/15/66/1313441566.db2.gz PSLOZWMIEDVJCC-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017618240 1313441569 /nfs/dbraw/zinc/44/15/69/1313441569.db2.gz PSLOZWMIEDVJCC-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017618240 1313441573 /nfs/dbraw/zinc/44/15/73/1313441573.db2.gz PSLOZWMIEDVJCC-GBESFXJTSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[NH2+]CCN(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC001236144754 1313446807 /nfs/dbraw/zinc/44/68/07/1313446807.db2.gz AKXXXXOSOBQGKF-LJQANCHMSA-N 2 1 331.504 2.757 20 30 EFEDMP C=CCN(CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C(=O)OCC ZINC001236371334 1313474007 /nfs/dbraw/zinc/47/40/07/1313474007.db2.gz LDWBYGODTYYMBS-QGZVFWFLSA-N 2 1 337.508 2.875 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548488 1313474058 /nfs/dbraw/zinc/47/40/58/1313474058.db2.gz PXYXBUBGURWEMC-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCCCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387281 1313475614 /nfs/dbraw/zinc/47/56/14/1313475614.db2.gz XHTFZBCQYBKDQA-UHFFFAOYSA-N 2 1 337.552 2.757 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913878 1313476170 /nfs/dbraw/zinc/47/61/70/1313476170.db2.gz JJACOIWBSRKABL-XUVXKRRUSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049915165 1313478858 /nfs/dbraw/zinc/47/88/58/1313478858.db2.gz TXOWJUUPLXXXRT-VAMGGRTRSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCN(CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1)C(=O)OCC ZINC001236456309 1313482513 /nfs/dbraw/zinc/48/25/13/1313482513.db2.gz BRPGMHBXTRZONQ-UHFFFAOYSA-N 2 1 325.497 2.731 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049917899 1313482909 /nfs/dbraw/zinc/48/29/09/1313482909.db2.gz JDHLQOZYGFPDRS-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049917899 1313482911 /nfs/dbraw/zinc/48/29/11/1313482911.db2.gz JDHLQOZYGFPDRS-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049917899 1313482913 /nfs/dbraw/zinc/48/29/13/1313482913.db2.gz JDHLQOZYGFPDRS-GUDVDZBRSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188627 1298272904 /nfs/dbraw/zinc/27/29/04/1298272904.db2.gz VVZRZVCWLZZMND-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188627 1298272914 /nfs/dbraw/zinc/27/29/14/1298272914.db2.gz VVZRZVCWLZZMND-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188627 1298272924 /nfs/dbraw/zinc/27/29/24/1298272924.db2.gz VVZRZVCWLZZMND-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199062 1298304188 /nfs/dbraw/zinc/30/41/88/1298304188.db2.gz JMHAJQMZZBCSPI-MSOLQXFVSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214010 1298340460 /nfs/dbraw/zinc/34/04/60/1298340460.db2.gz RKORFEOHEYLJJQ-IRXDYDNUSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243933 1298405505 /nfs/dbraw/zinc/40/55/05/1298405505.db2.gz AKQOBIRJAKMZDT-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254804 1298428213 /nfs/dbraw/zinc/42/82/13/1298428213.db2.gz TYGVTONIIIKQAN-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268185 1298454010 /nfs/dbraw/zinc/45/40/10/1298454010.db2.gz FTJCWXQOQSLULY-MOPGFXCFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285234 1298491981 /nfs/dbraw/zinc/49/19/81/1298491981.db2.gz PCZFFNNQROXUJQ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961285234 1298491992 /nfs/dbraw/zinc/49/19/92/1298491992.db2.gz PCZFFNNQROXUJQ-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961338505 1298577418 /nfs/dbraw/zinc/57/74/18/1298577418.db2.gz FZCYBIPCVNPZJB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338505 1298577427 /nfs/dbraw/zinc/57/74/27/1298577427.db2.gz FZCYBIPCVNPZJB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338505 1298577438 /nfs/dbraw/zinc/57/74/38/1298577438.db2.gz FZCYBIPCVNPZJB-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961349466 1298594856 /nfs/dbraw/zinc/59/48/56/1298594856.db2.gz SQCFHAFQFNFIMZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961349466 1298594866 /nfs/dbraw/zinc/59/48/66/1298594866.db2.gz SQCFHAFQFNFIMZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961349466 1298594873 /nfs/dbraw/zinc/59/48/73/1298594873.db2.gz SQCFHAFQFNFIMZ-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372952 1298636559 /nfs/dbraw/zinc/63/65/59/1298636559.db2.gz FDXZHQUNJQBFFT-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373496 1298638401 /nfs/dbraw/zinc/63/84/01/1298638401.db2.gz HISPBGLWRUHALW-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961376336 1298643659 /nfs/dbraw/zinc/64/36/59/1298643659.db2.gz RYCKUAFBDPZWCD-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376336 1298643666 /nfs/dbraw/zinc/64/36/66/1298643666.db2.gz RYCKUAFBDPZWCD-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376336 1298643677 /nfs/dbraw/zinc/64/36/77/1298643677.db2.gz RYCKUAFBDPZWCD-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961376244 1298644103 /nfs/dbraw/zinc/64/41/03/1298644103.db2.gz RFTVCZNRADCMJT-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961376244 1298644113 /nfs/dbraw/zinc/64/41/13/1298644113.db2.gz RFTVCZNRADCMJT-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961376244 1298644123 /nfs/dbraw/zinc/64/41/23/1298644123.db2.gz RFTVCZNRADCMJT-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961377989 1298649522 /nfs/dbraw/zinc/64/95/22/1298649522.db2.gz JRGIOQDXIHODJI-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377989 1298649531 /nfs/dbraw/zinc/64/95/31/1298649531.db2.gz JRGIOQDXIHODJI-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377989 1298649535 /nfs/dbraw/zinc/64/95/35/1298649535.db2.gz JRGIOQDXIHODJI-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379135 1298651445 /nfs/dbraw/zinc/65/14/45/1298651445.db2.gz QTHPXBMVCCQEJR-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383938 1298661414 /nfs/dbraw/zinc/66/14/14/1298661414.db2.gz NERUVQNBGVGSPH-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961383938 1298661425 /nfs/dbraw/zinc/66/14/25/1298661425.db2.gz NERUVQNBGVGSPH-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431069 1298736646 /nfs/dbraw/zinc/73/66/46/1298736646.db2.gz IBTZUJFMWOIBFF-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431069 1298736650 /nfs/dbraw/zinc/73/66/50/1298736650.db2.gz IBTZUJFMWOIBFF-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431069 1298736652 /nfs/dbraw/zinc/73/66/52/1298736652.db2.gz IBTZUJFMWOIBFF-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)c(Br)c1)CC2 ZINC001236865654 1313544288 /nfs/dbraw/zinc/54/42/88/1313544288.db2.gz FGPBOJADRWIWNB-UHFFFAOYSA-N 2 1 334.261 2.848 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961563363 1298885064 /nfs/dbraw/zinc/88/50/64/1298885064.db2.gz CFJFGSPZOXQCBH-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961563363 1298885076 /nfs/dbraw/zinc/88/50/76/1298885076.db2.gz CFJFGSPZOXQCBH-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000961563363 1298885086 /nfs/dbraw/zinc/88/50/86/1298885086.db2.gz CFJFGSPZOXQCBH-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@H](CC#N)C3)ccc2F)CC1 ZINC001236965110 1313562313 /nfs/dbraw/zinc/56/23/13/1313562313.db2.gz WMDGLFNHJOSIPD-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2F)CC1 ZINC001236965110 1313562316 /nfs/dbraw/zinc/56/23/16/1313562316.db2.gz WMDGLFNHJOSIPD-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000305813649 1299042069 /nfs/dbraw/zinc/04/20/69/1299042069.db2.gz KWXWHKLAXDSVSB-QGZVFWFLSA-N 2 1 330.476 2.631 20 30 EFEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1C#N ZINC001207106566 1313613919 /nfs/dbraw/zinc/61/39/19/1313613919.db2.gz OMZFFKHEZKRCEG-UHFFFAOYSA-N 2 1 338.455 2.978 20 30 EFEDMP N#Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001237461742 1313649187 /nfs/dbraw/zinc/64/91/87/1313649187.db2.gz CSCLHCONAADXHB-UHFFFAOYSA-N 2 1 347.466 2.836 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]2CC ZINC001207396756 1313674184 /nfs/dbraw/zinc/67/41/84/1313674184.db2.gz SSWWBEWKYNDYMI-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499855 1300327008 /nfs/dbraw/zinc/32/70/08/1300327008.db2.gz XOILZXPSJAKLEO-BPQTVZERSA-N 2 1 338.455 2.657 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502701 1300332588 /nfs/dbraw/zinc/33/25/88/1300332588.db2.gz ZNCLMEGEGZBFCY-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502701 1300332601 /nfs/dbraw/zinc/33/26/01/1300332601.db2.gz ZNCLMEGEGZBFCY-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502701 1300332607 /nfs/dbraw/zinc/33/26/07/1300332607.db2.gz ZNCLMEGEGZBFCY-PIIMJCKOSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232581 1300480714 /nfs/dbraw/zinc/48/07/14/1300480714.db2.gz UNZQIDYSCQVFIH-LBPRGKRZSA-N 2 1 348.834 2.623 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000776739494 1300553613 /nfs/dbraw/zinc/55/36/13/1300553613.db2.gz RTNWDRPXAMRZCS-KBXCAEBGSA-N 2 1 331.435 2.991 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315446 1300582551 /nfs/dbraw/zinc/58/25/51/1300582551.db2.gz STHOQAFSDMKFRH-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315446 1300582559 /nfs/dbraw/zinc/58/25/59/1300582559.db2.gz STHOQAFSDMKFRH-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315446 1300582565 /nfs/dbraw/zinc/58/25/65/1300582565.db2.gz STHOQAFSDMKFRH-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315447 1300582745 /nfs/dbraw/zinc/58/27/45/1300582745.db2.gz STHOQAFSDMKFRH-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315447 1300582755 /nfs/dbraw/zinc/58/27/55/1300582755.db2.gz STHOQAFSDMKFRH-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315447 1300582760 /nfs/dbraw/zinc/58/27/60/1300582760.db2.gz STHOQAFSDMKFRH-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963318889 1300589986 /nfs/dbraw/zinc/58/99/86/1300589986.db2.gz FUSZXAZXPJVJKN-JCYILVPMSA-N 2 1 341.927 2.971 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328325 1300611746 /nfs/dbraw/zinc/61/17/46/1300611746.db2.gz NUSCFFTXTSOLJZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337311 1300632121 /nfs/dbraw/zinc/63/21/21/1300632121.db2.gz NQGLQJSXSAWPMU-QZTJIDSGSA-N 2 1 344.503 2.632 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358197 1300679868 /nfs/dbraw/zinc/67/98/68/1300679868.db2.gz PCWNOXWQOREOTR-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358197 1300679870 /nfs/dbraw/zinc/67/98/70/1300679870.db2.gz PCWNOXWQOREOTR-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358197 1300679875 /nfs/dbraw/zinc/67/98/75/1300679875.db2.gz PCWNOXWQOREOTR-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358563 1300681245 /nfs/dbraw/zinc/68/12/45/1300681245.db2.gz UKFQXXJXZCFTHA-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358204 1300681381 /nfs/dbraw/zinc/68/13/81/1300681381.db2.gz PJMJBNAILBKPTD-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364387 1300695802 /nfs/dbraw/zinc/69/58/02/1300695802.db2.gz BYGHOSPXUZHCEX-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367371 1300704583 /nfs/dbraw/zinc/70/45/83/1300704583.db2.gz OOKLOAVBTLYJQH-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367372 1300704777 /nfs/dbraw/zinc/70/47/77/1300704777.db2.gz OOKLOAVBTLYJQH-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372342 1300717709 /nfs/dbraw/zinc/71/77/09/1300717709.db2.gz SDCWKNYQOFOTGC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372342 1300717718 /nfs/dbraw/zinc/71/77/18/1300717718.db2.gz SDCWKNYQOFOTGC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384579 1300742926 /nfs/dbraw/zinc/74/29/26/1300742926.db2.gz VHAFAMHRZVEINK-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389811 1300751083 /nfs/dbraw/zinc/75/10/83/1300751083.db2.gz GUNOABFWFDVJNO-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413254 1300795736 /nfs/dbraw/zinc/79/57/36/1300795736.db2.gz CXVOHAUYKXUQLD-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000963563307 1301063090 /nfs/dbraw/zinc/06/30/90/1301063090.db2.gz INRPJGSUGQKHAU-UYSNPLJNSA-N 2 1 327.900 2.582 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000246371142 1301235508 /nfs/dbraw/zinc/23/55/08/1301235508.db2.gz JHGOVGMRGASUFS-BHYGNILZSA-N 2 1 331.460 2.948 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000246371142 1301235518 /nfs/dbraw/zinc/23/55/18/1301235518.db2.gz JHGOVGMRGASUFS-BHYGNILZSA-N 2 1 331.460 2.948 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104655 1313761201 /nfs/dbraw/zinc/76/12/01/1313761201.db2.gz NOQFAXBJIJKGRL-PMACEKPBSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104655 1313761203 /nfs/dbraw/zinc/76/12/03/1313761203.db2.gz NOQFAXBJIJKGRL-PMACEKPBSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000963901955 1301452634 /nfs/dbraw/zinc/45/26/34/1301452634.db2.gz DPMSBJZJZFJNRL-LADRWXRNSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963947005 1301505206 /nfs/dbraw/zinc/50/52/06/1301505206.db2.gz LWFHXMGYAZFMRC-QAELIBMJSA-N 2 1 333.520 2.842 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784031 1313773604 /nfs/dbraw/zinc/77/36/04/1313773604.db2.gz BZUQVKLABJSPIQ-ZIFCJYIRSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030220 1301624803 /nfs/dbraw/zinc/62/48/03/1301624803.db2.gz HWFSJPZZQKXQCO-INFDXNDLSA-N 2 1 331.504 2.596 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310324 1313805050 /nfs/dbraw/zinc/80/50/50/1313805050.db2.gz KULWELAMKMQOAD-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310324 1313805054 /nfs/dbraw/zinc/80/50/54/1313805054.db2.gz KULWELAMKMQOAD-HSALFYBXSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073444 1313840966 /nfs/dbraw/zinc/84/09/66/1313840966.db2.gz JZXUZQMMDDVKOT-IAGOWNOFSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079047 1313841497 /nfs/dbraw/zinc/84/14/97/1313841497.db2.gz GNTVCVTZDNSSQU-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079047 1313841501 /nfs/dbraw/zinc/84/15/01/1313841501.db2.gz GNTVCVTZDNSSQU-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079047 1313841507 /nfs/dbraw/zinc/84/15/07/1313841507.db2.gz GNTVCVTZDNSSQU-AFYVEPGGSA-N 2 1 345.531 2.939 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114367869 1302876603 /nfs/dbraw/zinc/87/66/03/1302876603.db2.gz AVQVRYHYZAZXGP-HCXYKTFWSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001114367869 1302876612 /nfs/dbraw/zinc/87/66/12/1302876612.db2.gz AVQVRYHYZAZXGP-HCXYKTFWSA-N 2 1 335.536 2.878 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001114367869 1302876623 /nfs/dbraw/zinc/87/66/23/1302876623.db2.gz AVQVRYHYZAZXGP-HCXYKTFWSA-N 2 1 335.536 2.878 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001114368688 1302878541 /nfs/dbraw/zinc/87/85/41/1302878541.db2.gz QZAXADDXTJVTHU-HCXYKTFWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368688 1302878553 /nfs/dbraw/zinc/87/85/53/1302878553.db2.gz QZAXADDXTJVTHU-HCXYKTFWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424080 1303179347 /nfs/dbraw/zinc/17/93/47/1303179347.db2.gz GTKSSEOBBIESEE-NQPFRDSSSA-N 2 1 331.504 2.596 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424084 1303179951 /nfs/dbraw/zinc/17/99/51/1303179951.db2.gz GTKSSEOBBIESEE-SWPKYLGISA-N 2 1 331.504 2.596 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334077 1313902161 /nfs/dbraw/zinc/90/21/61/1313902161.db2.gz FCTKKRYQHLLCLY-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001114401972 1303863926 /nfs/dbraw/zinc/86/39/26/1303863926.db2.gz BEKUMPVWAARHIF-ZRNYENFQSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114401972 1303863930 /nfs/dbraw/zinc/86/39/30/1303863930.db2.gz BEKUMPVWAARHIF-ZRNYENFQSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114401972 1303863931 /nfs/dbraw/zinc/86/39/31/1303863931.db2.gz BEKUMPVWAARHIF-ZRNYENFQSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114403096 1303870565 /nfs/dbraw/zinc/87/05/65/1303870565.db2.gz NBBKGYTWOIUVHB-NTDBWNAOSA-N 2 1 342.487 2.553 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114403096 1303870567 /nfs/dbraw/zinc/87/05/67/1303870567.db2.gz NBBKGYTWOIUVHB-NTDBWNAOSA-N 2 1 342.487 2.553 20 30 EFEDMP C=CCOCc1ncn2c1C[N@@H+](CC1CC[NH+](CC)CC1)CCC2 ZINC001208596083 1313972147 /nfs/dbraw/zinc/97/21/47/1313972147.db2.gz BDXOTAPPYIMJME-UHFFFAOYSA-N 2 1 332.492 2.523 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114425179 1304345594 /nfs/dbraw/zinc/34/55/94/1304345594.db2.gz AOXBHKJFUFUVMX-XSYGEPLQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425179 1304345597 /nfs/dbraw/zinc/34/55/97/1304345597.db2.gz AOXBHKJFUFUVMX-XSYGEPLQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425179 1304345599 /nfs/dbraw/zinc/34/55/99/1304345599.db2.gz AOXBHKJFUFUVMX-XSYGEPLQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208605105 1313975047 /nfs/dbraw/zinc/97/50/47/1313975047.db2.gz YWFVJYRGNYTDHD-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208605105 1313975048 /nfs/dbraw/zinc/97/50/48/1313975048.db2.gz YWFVJYRGNYTDHD-SFHVURJKSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668703 1313991133 /nfs/dbraw/zinc/99/11/33/1313991133.db2.gz YMJOXGLVCSBTTC-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668703 1313991135 /nfs/dbraw/zinc/99/11/35/1313991135.db2.gz YMJOXGLVCSBTTC-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208668703 1313991137 /nfs/dbraw/zinc/99/11/37/1313991137.db2.gz YMJOXGLVCSBTTC-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208668703 1313991138 /nfs/dbraw/zinc/99/11/38/1313991138.db2.gz YMJOXGLVCSBTTC-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037923003 1304761038 /nfs/dbraw/zinc/76/10/38/1304761038.db2.gz DMAHMNBMBNHUQM-HZPDHXFCSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397857 1304944866 /nfs/dbraw/zinc/94/48/66/1304944866.db2.gz SSKQTHCAYQEZGN-CRAIPNDOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058996 1305774440 /nfs/dbraw/zinc/77/44/40/1305774440.db2.gz NYSMTXUKNZSTTC-RDJZCZTQSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058996 1305774446 /nfs/dbraw/zinc/77/44/46/1305774446.db2.gz NYSMTXUKNZSTTC-RDJZCZTQSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058994 1305774529 /nfs/dbraw/zinc/77/45/29/1305774529.db2.gz NYSMTXUKNZSTTC-DOTOQJQBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058994 1305774540 /nfs/dbraw/zinc/77/45/40/1305774540.db2.gz NYSMTXUKNZSTTC-DOTOQJQBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327803 1306137811 /nfs/dbraw/zinc/13/78/11/1306137811.db2.gz SJMIWHVUKPYYTG-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416946 1306285691 /nfs/dbraw/zinc/28/56/91/1306285691.db2.gz BWDPWFTVRSTSMP-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223971 1314120193 /nfs/dbraw/zinc/12/01/93/1314120193.db2.gz XROXWHYWLDMYGU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968518067 1306424507 /nfs/dbraw/zinc/42/45/07/1306424507.db2.gz XMONMHLQHOMSFJ-LPHOPBHVSA-N 2 1 333.520 2.511 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001209264073 1314128613 /nfs/dbraw/zinc/12/86/13/1314128613.db2.gz VGMKIGHSJYQSSA-KRWDZBQOSA-N 2 1 347.528 2.859 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097580607 1314132346 /nfs/dbraw/zinc/13/23/46/1314132346.db2.gz HDOUCLSFIXQSME-RLLQIKCJSA-N 2 1 341.499 2.702 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888027 1306761915 /nfs/dbraw/zinc/76/19/15/1306761915.db2.gz PRXKSTSWWGNMCK-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888027 1306761922 /nfs/dbraw/zinc/76/19/22/1306761922.db2.gz PRXKSTSWWGNMCK-SJORKVTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888745 1306763854 /nfs/dbraw/zinc/76/38/54/1306763854.db2.gz ZACCGSLFZFAIBH-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888745 1306763860 /nfs/dbraw/zinc/76/38/60/1306763860.db2.gz ZACCGSLFZFAIBH-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888745 1306763863 /nfs/dbraw/zinc/76/38/63/1306763863.db2.gz ZACCGSLFZFAIBH-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925970 1306804331 /nfs/dbraw/zinc/80/43/31/1306804331.db2.gz QWHPKLREJNCWLF-QGZVFWFLSA-N 2 1 338.455 2.640 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001674 1306875603 /nfs/dbraw/zinc/87/56/03/1306875603.db2.gz FAUGYBMQTVAFDH-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001674 1306875608 /nfs/dbraw/zinc/87/56/08/1306875608.db2.gz FAUGYBMQTVAFDH-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001701 1306876456 /nfs/dbraw/zinc/87/64/56/1306876456.db2.gz FOAHHWHVQRISLI-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001701 1306876460 /nfs/dbraw/zinc/87/64/60/1306876460.db2.gz FOAHHWHVQRISLI-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073090 1306947335 /nfs/dbraw/zinc/94/73/35/1306947335.db2.gz WNWSXKQATGLNLG-FQEVSTJZSA-N 2 1 341.499 2.746 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001019067909 1314157389 /nfs/dbraw/zinc/15/73/89/1314157389.db2.gz UAWHGSWHUCZTHB-AWEZNQCLSA-N 2 1 327.900 2.582 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000969108703 1306984384 /nfs/dbraw/zinc/98/43/84/1306984384.db2.gz JUYOSTKWOPYQSP-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108703 1306984387 /nfs/dbraw/zinc/98/43/87/1306984387.db2.gz JUYOSTKWOPYQSP-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108703 1306984390 /nfs/dbraw/zinc/98/43/90/1306984390.db2.gz JUYOSTKWOPYQSP-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209427341 1314161842 /nfs/dbraw/zinc/16/18/42/1314161842.db2.gz OHSCTLUQBKIVPA-UHFFFAOYSA-N 2 1 344.503 2.791 20 30 EFEDMP C=CCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209427341 1314161843 /nfs/dbraw/zinc/16/18/43/1314161843.db2.gz OHSCTLUQBKIVPA-UHFFFAOYSA-N 2 1 344.503 2.791 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437522 1307338685 /nfs/dbraw/zinc/33/86/85/1307338685.db2.gz BDQDQLNYEIHTPO-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437522 1307338688 /nfs/dbraw/zinc/33/86/88/1307338688.db2.gz BDQDQLNYEIHTPO-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343800 1307380300 /nfs/dbraw/zinc/38/03/00/1307380300.db2.gz OHNOQRCZGPCWPB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007343800 1307380306 /nfs/dbraw/zinc/38/03/06/1307380306.db2.gz OHNOQRCZGPCWPB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007343800 1307380310 /nfs/dbraw/zinc/38/03/10/1307380310.db2.gz OHNOQRCZGPCWPB-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454124 1314197061 /nfs/dbraw/zinc/19/70/61/1314197061.db2.gz MHEGTPVDQGDVMB-MKXGPGLRSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097695067 1314199230 /nfs/dbraw/zinc/19/92/30/1314199230.db2.gz QFYHABJYBQYZAN-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097695067 1314199233 /nfs/dbraw/zinc/19/92/33/1314199233.db2.gz QFYHABJYBQYZAN-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097695067 1314199235 /nfs/dbraw/zinc/19/92/35/1314199235.db2.gz QFYHABJYBQYZAN-MANSERQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695080 1314199370 /nfs/dbraw/zinc/19/93/70/1314199370.db2.gz QQIVBPHFNYJCHK-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695080 1314199373 /nfs/dbraw/zinc/19/93/73/1314199373.db2.gz QQIVBPHFNYJCHK-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695080 1314199376 /nfs/dbraw/zinc/19/93/76/1314199376.db2.gz QQIVBPHFNYJCHK-AKHDSKFASA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209644143 1314208647 /nfs/dbraw/zinc/20/86/47/1314208647.db2.gz ZBJMVGJKRKRWPA-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921192 1307897790 /nfs/dbraw/zinc/89/77/90/1307897790.db2.gz HJXHFDTVYKYVPL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921192 1307897797 /nfs/dbraw/zinc/89/77/97/1307897797.db2.gz HJXHFDTVYKYVPL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921192 1307897801 /nfs/dbraw/zinc/89/78/01/1307897801.db2.gz HJXHFDTVYKYVPL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045936168 1307935235 /nfs/dbraw/zinc/93/52/35/1307935235.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045936168 1307935238 /nfs/dbraw/zinc/93/52/38/1307935238.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045936168 1307935241 /nfs/dbraw/zinc/93/52/41/1307935241.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941064 1307948704 /nfs/dbraw/zinc/94/87/04/1307948704.db2.gz FMKBUASALYTYHO-FPOVZHCZSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273783 1307951549 /nfs/dbraw/zinc/95/15/49/1307951549.db2.gz AJOKHYFCYJHKHE-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273783 1307951539 /nfs/dbraw/zinc/95/15/39/1307951539.db2.gz AJOKHYFCYJHKHE-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273783 1307951545 /nfs/dbraw/zinc/95/15/45/1307951545.db2.gz AJOKHYFCYJHKHE-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949959 1307977412 /nfs/dbraw/zinc/97/74/12/1307977412.db2.gz SFSYIPKVCQRGBF-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949959 1307977419 /nfs/dbraw/zinc/97/74/19/1307977419.db2.gz SFSYIPKVCQRGBF-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949959 1307977423 /nfs/dbraw/zinc/97/74/23/1307977423.db2.gz SFSYIPKVCQRGBF-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950518 1307979616 /nfs/dbraw/zinc/97/96/16/1307979616.db2.gz DTCDECXHQBZWHJ-HXUWFJFHSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950989 1307980972 /nfs/dbraw/zinc/98/09/72/1307980972.db2.gz QRBZHHRWCMTMEY-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960697 1308006322 /nfs/dbraw/zinc/00/63/22/1308006322.db2.gz QOWOZMXAHHGIHJ-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960581 1308006617 /nfs/dbraw/zinc/00/66/17/1308006617.db2.gz NENLEBOVVDAORI-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965357 1308018582 /nfs/dbraw/zinc/01/85/82/1308018582.db2.gz GMAGPLFNLZCSDJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965043 1308018868 /nfs/dbraw/zinc/01/88/68/1308018868.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965043 1308018872 /nfs/dbraw/zinc/01/88/72/1308018872.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965043 1308018876 /nfs/dbraw/zinc/01/88/76/1308018876.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966849 1308024176 /nfs/dbraw/zinc/02/41/76/1308024176.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966849 1308024180 /nfs/dbraw/zinc/02/41/80/1308024180.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966849 1308024183 /nfs/dbraw/zinc/02/41/83/1308024183.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966848 1308024227 /nfs/dbraw/zinc/02/42/27/1308024227.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966848 1308024231 /nfs/dbraw/zinc/02/42/31/1308024231.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966848 1308024234 /nfs/dbraw/zinc/02/42/34/1308024234.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045967391 1308025013 /nfs/dbraw/zinc/02/50/13/1308025013.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967391 1308025016 /nfs/dbraw/zinc/02/50/16/1308025016.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967391 1308025020 /nfs/dbraw/zinc/02/50/20/1308025020.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970213 1308034561 /nfs/dbraw/zinc/03/45/61/1308034561.db2.gz CSNJENXVLXIORF-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045973508 1308042971 /nfs/dbraw/zinc/04/29/71/1308042971.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973508 1308042974 /nfs/dbraw/zinc/04/29/74/1308042974.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045973508 1308042977 /nfs/dbraw/zinc/04/29/77/1308042977.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973854 1308044744 /nfs/dbraw/zinc/04/47/44/1308044744.db2.gz VZPLZPAEMFHEKM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976609 1308052702 /nfs/dbraw/zinc/05/27/02/1308052702.db2.gz HEKJPXHGBGNHTJ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982084 1308073992 /nfs/dbraw/zinc/07/39/92/1308073992.db2.gz NOAPPZQHCQPFHW-HXUWFJFHSA-N 2 1 344.503 2.633 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983477 1308077776 /nfs/dbraw/zinc/07/77/76/1308077776.db2.gz OJGVAYVAZSHVPX-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985349 1308083430 /nfs/dbraw/zinc/08/34/30/1308083430.db2.gz RYPMXCZTSWBDMV-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985349 1308083428 /nfs/dbraw/zinc/08/34/28/1308083428.db2.gz RYPMXCZTSWBDMV-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985349 1308083435 /nfs/dbraw/zinc/08/34/35/1308083435.db2.gz RYPMXCZTSWBDMV-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447289 1314230604 /nfs/dbraw/zinc/23/06/04/1314230604.db2.gz ZVYMSBKHCQDPGC-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447289 1314230607 /nfs/dbraw/zinc/23/06/07/1314230607.db2.gz ZVYMSBKHCQDPGC-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447289 1314230609 /nfs/dbraw/zinc/23/06/09/1314230609.db2.gz ZVYMSBKHCQDPGC-IRXDYDNUSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319512 1308536850 /nfs/dbraw/zinc/53/68/50/1308536850.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319512 1308536853 /nfs/dbraw/zinc/53/68/53/1308536853.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319512 1308536856 /nfs/dbraw/zinc/53/68/56/1308536856.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436146 1308667214 /nfs/dbraw/zinc/66/72/14/1308667214.db2.gz MCYKTYZTTZFMLV-LJQANCHMSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436145 1308667349 /nfs/dbraw/zinc/66/73/49/1308667349.db2.gz MCYKTYZTTZFMLV-IBGZPJMESA-N 2 1 326.444 2.803 20 30 EFEDMP N#Cc1c2c(sc1Nc1cc[nH+]c(N3CC[NH2+]CC3)c1)CCC2 ZINC001210261894 1314303759 /nfs/dbraw/zinc/30/37/59/1314303759.db2.gz JLPKEZCYKCTRGG-UHFFFAOYSA-N 2 1 325.441 2.657 20 30 EFEDMP N#Cc1ccc(C(F)(F)F)nc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263266 1314304592 /nfs/dbraw/zinc/30/45/92/1314304592.db2.gz VXYIHJOEZWPXBM-UHFFFAOYSA-N 2 1 348.332 2.520 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337386 1314315643 /nfs/dbraw/zinc/31/56/43/1314315643.db2.gz ODCGDEWKOFDEMY-BFYDXBDKSA-N 2 1 330.476 2.552 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337386 1314315646 /nfs/dbraw/zinc/31/56/46/1314315646.db2.gz ODCGDEWKOFDEMY-BFYDXBDKSA-N 2 1 330.476 2.552 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712256 1314318667 /nfs/dbraw/zinc/31/86/67/1314318667.db2.gz GEVIYZAUQHKCTO-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712256 1314318669 /nfs/dbraw/zinc/31/86/69/1314318669.db2.gz GEVIYZAUQHKCTO-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046934282 1309711265 /nfs/dbraw/zinc/71/12/65/1309711265.db2.gz AAPKGUNOCGKUCY-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046934282 1309711270 /nfs/dbraw/zinc/71/12/70/1309711270.db2.gz AAPKGUNOCGKUCY-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046934282 1309711276 /nfs/dbraw/zinc/71/12/76/1309711276.db2.gz AAPKGUNOCGKUCY-HOTGVXAUSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046957937 1309769777 /nfs/dbraw/zinc/76/97/77/1309769777.db2.gz UJXDMTWIFQUCOY-HNNXBMFYSA-N 2 1 348.397 2.597 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046995355 1309880974 /nfs/dbraw/zinc/88/09/74/1309880974.db2.gz OQWJOUBXGWZTSK-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046995355 1309880981 /nfs/dbraw/zinc/88/09/81/1309880981.db2.gz OQWJOUBXGWZTSK-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046995355 1309880987 /nfs/dbraw/zinc/88/09/87/1309880987.db2.gz OQWJOUBXGWZTSK-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763679 1314357797 /nfs/dbraw/zinc/35/77/97/1314357797.db2.gz IXAAPHUBHRUURV-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764647 1314358368 /nfs/dbraw/zinc/35/83/68/1314358368.db2.gz QBPVLROVRSWOAR-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764647 1314358370 /nfs/dbraw/zinc/35/83/70/1314358370.db2.gz QBPVLROVRSWOAR-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764647 1314358372 /nfs/dbraw/zinc/35/83/72/1314358372.db2.gz QBPVLROVRSWOAR-SJORKVTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210646265 1314366384 /nfs/dbraw/zinc/36/63/84/1314366384.db2.gz WJJYQOMYYBZJNJ-MOPGFXCFSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786787 1314372439 /nfs/dbraw/zinc/37/24/39/1314372439.db2.gz BTSWADASWXRWHQ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231812 1310369153 /nfs/dbraw/zinc/36/91/53/1310369153.db2.gz QDLTWGSVLLXLGU-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047243998 1310399494 /nfs/dbraw/zinc/39/94/94/1310399494.db2.gz OPBXHLJDGVXANV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244462 1310400444 /nfs/dbraw/zinc/40/04/44/1310400444.db2.gz REOWQXVCNNGXFV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047251847 1310419280 /nfs/dbraw/zinc/41/92/80/1310419280.db2.gz XNQYVEKKQHZIDJ-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257036 1310431755 /nfs/dbraw/zinc/43/17/55/1310431755.db2.gz OLXSOUWOQMJTMN-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813660 1311037023 /nfs/dbraw/zinc/03/70/23/1311037023.db2.gz UDMKNXRIDVTEPA-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813660 1311037020 /nfs/dbraw/zinc/03/70/20/1311037020.db2.gz UDMKNXRIDVTEPA-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813660 1311037022 /nfs/dbraw/zinc/03/70/22/1311037022.db2.gz UDMKNXRIDVTEPA-IPMKNSEASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877821 1311046798 /nfs/dbraw/zinc/04/67/98/1311046798.db2.gz LCYJBSOECFOLNR-GUDVDZBRSA-N 2 1 335.536 2.852 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001222049558 1311073508 /nfs/dbraw/zinc/07/35/08/1311073508.db2.gz FTUWQDQYVWHIQX-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045281 1311073836 /nfs/dbraw/zinc/07/38/36/1311073836.db2.gz GNDSDBAVCSGKOE-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259245 1311080651 /nfs/dbraw/zinc/08/06/51/1311080651.db2.gz YOGXFHSAIZVNQF-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259245 1311080655 /nfs/dbraw/zinc/08/06/55/1311080655.db2.gz YOGXFHSAIZVNQF-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093627 1311082966 /nfs/dbraw/zinc/08/29/66/1311082966.db2.gz IQCFOXAECLQMSM-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093627 1311082969 /nfs/dbraw/zinc/08/29/69/1311082969.db2.gz IQCFOXAECLQMSM-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093627 1311082973 /nfs/dbraw/zinc/08/29/73/1311082973.db2.gz IQCFOXAECLQMSM-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093627 1311082977 /nfs/dbraw/zinc/08/29/77/1311082977.db2.gz IQCFOXAECLQMSM-WOJBJXKFSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091901 1311083455 /nfs/dbraw/zinc/08/34/55/1311083455.db2.gz CIWVZMGAIJIIQL-LJQANCHMSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091901 1311083458 /nfs/dbraw/zinc/08/34/58/1311083458.db2.gz CIWVZMGAIJIIQL-LJQANCHMSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547364 1311101109 /nfs/dbraw/zinc/10/11/09/1311101109.db2.gz DLXXOOPAUWBPFN-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547216 1311101164 /nfs/dbraw/zinc/10/11/64/1311101164.db2.gz BBHVCOQSDQXVST-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547216 1311101166 /nfs/dbraw/zinc/10/11/66/1311101166.db2.gz BBHVCOQSDQXVST-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547216 1311101168 /nfs/dbraw/zinc/10/11/68/1311101168.db2.gz BBHVCOQSDQXVST-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547213 1311101211 /nfs/dbraw/zinc/10/12/11/1311101211.db2.gz BBHVCOQSDQXVST-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547213 1311101213 /nfs/dbraw/zinc/10/12/13/1311101213.db2.gz BBHVCOQSDQXVST-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547213 1311101216 /nfs/dbraw/zinc/10/12/16/1311101216.db2.gz BBHVCOQSDQXVST-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000801936504 1311125987 /nfs/dbraw/zinc/12/59/87/1311125987.db2.gz UWUFVPUOBFZJNN-GOSISDBHSA-N 2 1 327.472 2.903 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442277 1311132100 /nfs/dbraw/zinc/13/21/00/1311132100.db2.gz HPAAVZKDFZOQGO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442277 1311132102 /nfs/dbraw/zinc/13/21/02/1311132102.db2.gz HPAAVZKDFZOQGO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442277 1311132103 /nfs/dbraw/zinc/13/21/03/1311132103.db2.gz HPAAVZKDFZOQGO-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442278 1311132518 /nfs/dbraw/zinc/13/25/18/1311132518.db2.gz HPAAVZKDFZOQGO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442278 1311132521 /nfs/dbraw/zinc/13/25/21/1311132521.db2.gz HPAAVZKDFZOQGO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442278 1311132524 /nfs/dbraw/zinc/13/25/24/1311132524.db2.gz HPAAVZKDFZOQGO-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714580 1311176528 /nfs/dbraw/zinc/17/65/28/1311176528.db2.gz ABMDHYOCNNHBIK-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714580 1311176531 /nfs/dbraw/zinc/17/65/31/1311176531.db2.gz ABMDHYOCNNHBIK-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714580 1311176534 /nfs/dbraw/zinc/17/65/34/1311176534.db2.gz ABMDHYOCNNHBIK-HCXYKTFWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223182178 1311227084 /nfs/dbraw/zinc/22/70/84/1311227084.db2.gz YOIWWLOVRLOFAA-YZGWKJHDSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228071 /nfs/dbraw/zinc/22/80/71/1311228071.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228075 /nfs/dbraw/zinc/22/80/75/1311228075.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228078 /nfs/dbraw/zinc/22/80/78/1311228078.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001101552421 1311249439 /nfs/dbraw/zinc/24/94/39/1311249439.db2.gz DYRGNIAQFLWUDQ-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCCCC[N@H+]1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001276887990 1311256318 /nfs/dbraw/zinc/25/63/18/1311256318.db2.gz RAJDVFSGMUABND-UHFFFAOYSA-N 2 1 344.503 2.553 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489452 1311268096 /nfs/dbraw/zinc/26/80/96/1311268096.db2.gz PNOAPEAVSGCYDJ-QRVBRYPASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001223507785 1311269999 /nfs/dbraw/zinc/26/99/99/1311269999.db2.gz WHRCIZXGAONJRR-DJIMGWMZSA-N 2 1 330.476 2.696 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976217 1311271402 /nfs/dbraw/zinc/27/14/02/1311271402.db2.gz PWZWKFHVALGXHM-MISYRCLQSA-N 2 1 349.563 2.983 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001223578520 1311277674 /nfs/dbraw/zinc/27/76/74/1311277674.db2.gz YQBSPLLIKOVRTN-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001223578521 1311277617 /nfs/dbraw/zinc/27/76/17/1311277617.db2.gz YQBSPLLIKOVRTN-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901355 1311318782 /nfs/dbraw/zinc/31/87/82/1311318782.db2.gz YCKCHLDQCWZCRG-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]21 ZINC001223912111 1311319912 /nfs/dbraw/zinc/31/99/12/1311319912.db2.gz NCTXLVZTPWQTME-CVEARBPZSA-N 2 1 330.476 2.576 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 ZINC001223912608 1311320514 /nfs/dbraw/zinc/32/05/14/1311320514.db2.gz WJOWXIKNJFHKDV-MJGOQNOKSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426658 1311358042 /nfs/dbraw/zinc/35/80/42/1311358042.db2.gz HLDNYKLQOHBZLZ-OIISXLGYSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246252 1311365862 /nfs/dbraw/zinc/36/58/62/1311365862.db2.gz YAMQPFPLWSANNM-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246252 1311365865 /nfs/dbraw/zinc/36/58/65/1311365865.db2.gz YAMQPFPLWSANNM-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246252 1311365868 /nfs/dbraw/zinc/36/58/68/1311365868.db2.gz YAMQPFPLWSANNM-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739724 1311377664 /nfs/dbraw/zinc/37/76/64/1311377664.db2.gz QHKDSXVZHKKMLU-LJQANCHMSA-N 2 1 335.536 2.835 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763212 1311382521 /nfs/dbraw/zinc/38/25/21/1311382521.db2.gz BRBPIIDESLPKHB-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224558970 1311407086 /nfs/dbraw/zinc/40/70/86/1311407086.db2.gz KZMZOEJEIDKHAC-SFHVURJKSA-N 2 1 335.536 2.903 20 30 EFEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914936 1311416202 /nfs/dbraw/zinc/41/62/02/1311416202.db2.gz WJUKXNHKNKMNKY-HXUWFJFHSA-N 2 1 341.499 2.698 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001158915011 1311416552 /nfs/dbraw/zinc/41/65/52/1311416552.db2.gz ZSJHMEFZXMUMAE-HXUWFJFHSA-N 2 1 345.531 2.611 20 30 EFEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001158943303 1311421256 /nfs/dbraw/zinc/42/12/56/1311421256.db2.gz UTJUVPPOTCEBSI-QGZVFWFLSA-N 2 1 345.487 2.681 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740041 1311429708 /nfs/dbraw/zinc/42/97/08/1311429708.db2.gz WKJRBOQDQPFZMX-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796262 1311436078 /nfs/dbraw/zinc/43/60/78/1311436078.db2.gz OSEDKSMEUAAJIH-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434308 1311513869 /nfs/dbraw/zinc/51/38/69/1311513869.db2.gz LSSUHQHZSMTZBH-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434308 1311513872 /nfs/dbraw/zinc/51/38/72/1311513872.db2.gz LSSUHQHZSMTZBH-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434308 1311513876 /nfs/dbraw/zinc/51/38/76/1311513876.db2.gz LSSUHQHZSMTZBH-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159628763 1311555385 /nfs/dbraw/zinc/55/53/85/1311555385.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159628763 1311555386 /nfs/dbraw/zinc/55/53/86/1311555386.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159628763 1311555387 /nfs/dbraw/zinc/55/53/87/1311555387.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(Cl)CN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119659 1311647432 /nfs/dbraw/zinc/64/74/32/1311647432.db2.gz FQMXMQXVNZVAGO-QGZVFWFLSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119659 1311647435 /nfs/dbraw/zinc/64/74/35/1311647435.db2.gz FQMXMQXVNZVAGO-QGZVFWFLSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119659 1311647438 /nfs/dbraw/zinc/64/74/38/1311647438.db2.gz FQMXMQXVNZVAGO-QGZVFWFLSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119659 1311647441 /nfs/dbraw/zinc/64/74/41/1311647441.db2.gz FQMXMQXVNZVAGO-QGZVFWFLSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119659 1311647443 /nfs/dbraw/zinc/64/74/43/1311647443.db2.gz FQMXMQXVNZVAGO-QGZVFWFLSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)CN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119658 1311647747 /nfs/dbraw/zinc/64/77/47/1311647747.db2.gz FQMXMQXVNZVAGO-KRWDZBQOSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119658 1311647750 /nfs/dbraw/zinc/64/77/50/1311647750.db2.gz FQMXMQXVNZVAGO-KRWDZBQOSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119658 1311647754 /nfs/dbraw/zinc/64/77/54/1311647754.db2.gz FQMXMQXVNZVAGO-KRWDZBQOSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119658 1311647758 /nfs/dbraw/zinc/64/77/58/1311647758.db2.gz FQMXMQXVNZVAGO-KRWDZBQOSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119658 1311647759 /nfs/dbraw/zinc/64/77/59/1311647759.db2.gz FQMXMQXVNZVAGO-KRWDZBQOSA-N 2 1 339.911 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160130975 1311649993 /nfs/dbraw/zinc/64/99/93/1311649993.db2.gz AVBJWFYFKQZDBF-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160130975 1311649997 /nfs/dbraw/zinc/64/99/97/1311649997.db2.gz AVBJWFYFKQZDBF-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160130975 1311650001 /nfs/dbraw/zinc/65/00/01/1311650001.db2.gz AVBJWFYFKQZDBF-WOJBJXKFSA-N 2 1 345.531 2.965 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169001 1311658746 /nfs/dbraw/zinc/65/87/46/1311658746.db2.gz FJXCYWIOHDSZDR-KRWDZBQOSA-N 2 1 342.487 2.558 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169001 1311658749 /nfs/dbraw/zinc/65/87/49/1311658749.db2.gz FJXCYWIOHDSZDR-KRWDZBQOSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001160197771 1311662832 /nfs/dbraw/zinc/66/28/32/1311662832.db2.gz FYUZTJGUMURZPO-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001160197771 1311662836 /nfs/dbraw/zinc/66/28/36/1311662836.db2.gz FYUZTJGUMURZPO-QAPCUYQASA-N 2 1 347.890 2.595 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360406 1311697225 /nfs/dbraw/zinc/69/72/25/1311697225.db2.gz QMIKORVAWTUDMW-QFBILLFUSA-N 2 1 333.520 2.820 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC/C=C\CC)CC1 ZINC001160386358 1311701710 /nfs/dbraw/zinc/70/17/10/1311701710.db2.gz VITMYUUUHVLTQQ-PRPIBZDOSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC/C=C\CC)CC1 ZINC001160386358 1311701712 /nfs/dbraw/zinc/70/17/12/1311701712.db2.gz VITMYUUUHVLTQQ-PRPIBZDOSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC/C=C\CC)CC1 ZINC001160386358 1311701714 /nfs/dbraw/zinc/70/17/14/1311701714.db2.gz VITMYUUUHVLTQQ-PRPIBZDOSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC/C=C\CC)CC1 ZINC001160386358 1311701716 /nfs/dbraw/zinc/70/17/16/1311701716.db2.gz VITMYUUUHVLTQQ-PRPIBZDOSA-N 2 1 343.515 2.579 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491293 1311721401 /nfs/dbraw/zinc/72/14/01/1311721401.db2.gz AXXLQLCFAKAMSD-UHFFFAOYSA-N 2 1 345.531 2.967 20 30 EFEDMP N#Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc2ccc(Cl)cc12 ZINC001160521271 1311726211 /nfs/dbraw/zinc/72/62/11/1311726211.db2.gz XMYJZACCJUCDBP-GOSISDBHSA-N 2 1 341.846 2.595 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567744 1311738912 /nfs/dbraw/zinc/73/89/12/1311738912.db2.gz LAFSHDHPJZIYCR-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567744 1311738916 /nfs/dbraw/zinc/73/89/16/1311738916.db2.gz LAFSHDHPJZIYCR-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567744 1311738920 /nfs/dbraw/zinc/73/89/20/1311738920.db2.gz LAFSHDHPJZIYCR-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227465057 1311809788 /nfs/dbraw/zinc/80/97/88/1311809788.db2.gz YYPBVCKHVFMEQJ-MRXNPFEDSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020161 1311838799 /nfs/dbraw/zinc/83/87/99/1311838799.db2.gz DSSPPLQSOSGUBZ-KRWDZBQOSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791755 1311856168 /nfs/dbraw/zinc/85/61/68/1311856168.db2.gz GFSSZLNPJDIYES-DOTOQJQBSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048525333 1311861384 /nfs/dbraw/zinc/86/13/84/1311861384.db2.gz CHXOXLXZWIRZEL-GSEOLPGOSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533049 1311872205 /nfs/dbraw/zinc/87/22/05/1311872205.db2.gz OFFJYAJEGADICB-XMTFNYHQSA-N 2 1 342.487 2.696 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533049 1311872209 /nfs/dbraw/zinc/87/22/09/1311872209.db2.gz OFFJYAJEGADICB-XMTFNYHQSA-N 2 1 342.487 2.696 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161382892 1311874171 /nfs/dbraw/zinc/87/41/71/1311874171.db2.gz DRCFNURKZNCSJU-UHFFFAOYSA-N 2 1 330.476 2.721 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161382892 1311874174 /nfs/dbraw/zinc/87/41/74/1311874174.db2.gz DRCFNURKZNCSJU-UHFFFAOYSA-N 2 1 330.476 2.721 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538018 1311877721 /nfs/dbraw/zinc/87/77/21/1311877721.db2.gz IGSPGLQWFJTSMF-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538018 1311877725 /nfs/dbraw/zinc/87/77/25/1311877725.db2.gz IGSPGLQWFJTSMF-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538018 1311877728 /nfs/dbraw/zinc/87/77/28/1311877728.db2.gz IGSPGLQWFJTSMF-FCGDIQPGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538259 1311879123 /nfs/dbraw/zinc/87/91/23/1311879123.db2.gz NQSJWLYELITCBF-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538259 1311879127 /nfs/dbraw/zinc/87/91/27/1311879127.db2.gz NQSJWLYELITCBF-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538259 1311879128 /nfs/dbraw/zinc/87/91/28/1311879128.db2.gz NQSJWLYELITCBF-OYSTVDSJSA-N 2 1 331.504 2.549 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492457 1311899629 /nfs/dbraw/zinc/89/96/29/1311899629.db2.gz XJASRDUPBBLUGG-LJQANCHMSA-N 2 1 333.520 2.515 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491734 1311899707 /nfs/dbraw/zinc/89/97/07/1311899707.db2.gz MJHVLFAAIRVLHD-LJQANCHMSA-N 2 1 333.520 2.515 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001161497062 1311900856 /nfs/dbraw/zinc/90/08/56/1311900856.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161497062 1311900858 /nfs/dbraw/zinc/90/08/58/1311900858.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161497062 1311900859 /nfs/dbraw/zinc/90/08/59/1311900859.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001228151460 1311908320 /nfs/dbraw/zinc/90/83/20/1311908320.db2.gz VGBDLVZWBWOHGL-VAMGGRTRSA-N 2 1 345.531 2.824 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216284 1311916189 /nfs/dbraw/zinc/91/61/89/1311916189.db2.gz VZPDLCIVKIWPGV-QXAKKESOSA-N 2 1 344.503 2.737 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583422 1311933349 /nfs/dbraw/zinc/93/33/49/1311933349.db2.gz KOTAFFLUCDOYKT-IEWDOMPSSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161864133 1311990671 /nfs/dbraw/zinc/99/06/71/1311990671.db2.gz YFXOOZROMWWWRL-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161864133 1311990674 /nfs/dbraw/zinc/99/06/74/1311990674.db2.gz YFXOOZROMWWWRL-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161864133 1311990677 /nfs/dbraw/zinc/99/06/77/1311990677.db2.gz YFXOOZROMWWWRL-IBGZPJMESA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938615 1312008465 /nfs/dbraw/zinc/00/84/65/1312008465.db2.gz RZPRCWZGRJIPFO-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228851969 1312009257 /nfs/dbraw/zinc/00/92/57/1312009257.db2.gz DRMKQCXIHHOBIU-IAGOWNOFSA-N 2 1 332.492 2.990 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947070 1312010785 /nfs/dbraw/zinc/01/07/85/1312010785.db2.gz VURIPOKYAUZGOZ-LJQANCHMSA-N 2 1 327.472 2.614 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947070 1312010789 /nfs/dbraw/zinc/01/07/89/1312010789.db2.gz VURIPOKYAUZGOZ-LJQANCHMSA-N 2 1 327.472 2.614 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001161947097 1312010855 /nfs/dbraw/zinc/01/08/55/1312010855.db2.gz XVLGFKVDOPDFEY-GOSISDBHSA-N 2 1 345.531 2.516 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001229223247 1312063665 /nfs/dbraw/zinc/06/36/65/1312063665.db2.gz MLOVMIIXWDPZRE-UHFFFAOYSA-N 2 1 343.515 2.708 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162678940 1312150748 /nfs/dbraw/zinc/15/07/48/1312150748.db2.gz FJZUVEREPCPZJZ-UHFFFAOYSA-N 2 1 334.508 2.828 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162811049 1312181035 /nfs/dbraw/zinc/18/10/35/1312181035.db2.gz YQXXRLCYSQWZIW-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001162840805 1312187853 /nfs/dbraw/zinc/18/78/53/1312187853.db2.gz BGTWUVRMTWVJQD-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603268 1312208235 /nfs/dbraw/zinc/20/82/35/1312208235.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603268 1312208239 /nfs/dbraw/zinc/20/82/39/1312208239.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603268 1312208243 /nfs/dbraw/zinc/20/82/43/1312208243.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081931 1312237407 /nfs/dbraw/zinc/23/74/07/1312237407.db2.gz NXFYWGOPUXELMD-RBUKOAKNSA-N 2 1 327.472 2.800 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431632 1312242314 /nfs/dbraw/zinc/24/23/14/1312242314.db2.gz RDONRVQWBXGUGS-UHFFFAOYSA-N 2 1 327.900 2.586 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598688 1312279266 /nfs/dbraw/zinc/27/92/66/1312279266.db2.gz WXJVVZYICTYFNV-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230604866 1312280335 /nfs/dbraw/zinc/28/03/35/1312280335.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230604866 1312280338 /nfs/dbraw/zinc/28/03/38/1312280338.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230604866 1312280340 /nfs/dbraw/zinc/28/03/40/1312280340.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612816 1312283838 /nfs/dbraw/zinc/28/38/38/1312283838.db2.gz GDMKJQJRWWSNSZ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612816 1312283841 /nfs/dbraw/zinc/28/38/41/1312283841.db2.gz GDMKJQJRWWSNSZ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612816 1312283845 /nfs/dbraw/zinc/28/38/45/1312283845.db2.gz GDMKJQJRWWSNSZ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618387 1312285836 /nfs/dbraw/zinc/28/58/36/1312285836.db2.gz MICQQMNFOACEQM-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618387 1312285840 /nfs/dbraw/zinc/28/58/40/1312285840.db2.gz MICQQMNFOACEQM-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618387 1312285844 /nfs/dbraw/zinc/28/58/44/1312285844.db2.gz MICQQMNFOACEQM-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230617849 1312285937 /nfs/dbraw/zinc/28/59/37/1312285937.db2.gz GPYSAYGXEFYTIY-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230621836 1312287791 /nfs/dbraw/zinc/28/77/91/1312287791.db2.gz HPPNFQMKJROIDR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230621836 1312287793 /nfs/dbraw/zinc/28/77/93/1312287793.db2.gz HPPNFQMKJROIDR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230621836 1312287797 /nfs/dbraw/zinc/28/77/97/1312287797.db2.gz HPPNFQMKJROIDR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714088 1312296921 /nfs/dbraw/zinc/29/69/21/1312296921.db2.gz UAJQLEZYFSSVDZ-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003105 1312348415 /nfs/dbraw/zinc/34/84/15/1312348415.db2.gz CBTJFUBETDUEGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003105 1312348418 /nfs/dbraw/zinc/34/84/18/1312348418.db2.gz CBTJFUBETDUEGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003105 1312348420 /nfs/dbraw/zinc/34/84/20/1312348420.db2.gz CBTJFUBETDUEGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+](CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230890438 1312382502 /nfs/dbraw/zinc/38/25/02/1312382502.db2.gz CLFLWPCMZGIHMM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890438 1312382505 /nfs/dbraw/zinc/38/25/05/1312382505.db2.gz CLFLWPCMZGIHMM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890438 1312382509 /nfs/dbraw/zinc/38/25/09/1312382509.db2.gz CLFLWPCMZGIHMM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[NH+](CCCNC(=O)C[N@H+](C)CCC)Cc1cccnc1 ZINC001230907006 1312387820 /nfs/dbraw/zinc/38/78/20/1312387820.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[N@@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230907006 1312387823 /nfs/dbraw/zinc/38/78/23/1312387823.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230907006 1312387827 /nfs/dbraw/zinc/38/78/27/1312387827.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491881 1312525156 /nfs/dbraw/zinc/52/51/56/1312525156.db2.gz PAAIQKZXRWBWDZ-MRXNPFEDSA-N 2 1 327.900 2.632 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531139 1312533973 /nfs/dbraw/zinc/53/39/73/1312533973.db2.gz AHQLIQOKNDYSCR-ROUUACIJSA-N 2 1 333.520 2.703 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531465 1312534279 /nfs/dbraw/zinc/53/42/79/1312534279.db2.gz JQJULHPJDOQNSI-MSOLQXFVSA-N 2 1 333.520 2.703 20 30 EFEDMP C=CCOc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001231622642 1312534827 /nfs/dbraw/zinc/53/48/27/1312534827.db2.gz BXBBIUSAXBGUQP-UHFFFAOYSA-N 2 1 329.444 2.881 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270147 1312599642 /nfs/dbraw/zinc/59/96/42/1312599642.db2.gz CXBBXQZNONNGRA-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049234762 1312609981 /nfs/dbraw/zinc/60/99/81/1312609981.db2.gz HWVYXFKHJACWKK-CALCHBBNSA-N 2 1 347.890 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235608 1312610473 /nfs/dbraw/zinc/61/04/73/1312610473.db2.gz PGOZNNLDGFKOGN-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484375 1312636347 /nfs/dbraw/zinc/63/63/47/1312636347.db2.gz CTZSCXPSLVYNOL-IRXDYDNUSA-N 2 1 344.503 2.991 20 30 EFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CC(F)F)CC3)C2)cc1C#N ZINC001277644796 1312668343 /nfs/dbraw/zinc/66/83/43/1312668343.db2.gz GEGBUGUNYGBQFF-UHFFFAOYSA-N 2 1 336.430 2.840 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858199 1314425703 /nfs/dbraw/zinc/42/57/03/1314425703.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858199 1314425705 /nfs/dbraw/zinc/42/57/05/1314425705.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858199 1314425706 /nfs/dbraw/zinc/42/57/06/1314425706.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447956 1314502619 /nfs/dbraw/zinc/50/26/19/1314502619.db2.gz QVYAWLNPYZBWPR-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447956 1314502624 /nfs/dbraw/zinc/50/26/24/1314502624.db2.gz QVYAWLNPYZBWPR-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447956 1314502629 /nfs/dbraw/zinc/50/26/29/1314502629.db2.gz QVYAWLNPYZBWPR-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447956 1314502632 /nfs/dbraw/zinc/50/26/32/1314502632.db2.gz QVYAWLNPYZBWPR-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001052989806 1314546240 /nfs/dbraw/zinc/54/62/40/1314546240.db2.gz XTCGPTUMWXKKPF-KDURUIRLSA-N 2 1 345.531 2.748 20 30 EFEDMP C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CC)CC2)CC1 ZINC001052990685 1314546809 /nfs/dbraw/zinc/54/68/09/1314546809.db2.gz KWYXNXPELHBVMH-BGYRXZFFSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CC)CC2)CC1 ZINC001052990685 1314546813 /nfs/dbraw/zinc/54/68/13/1314546813.db2.gz KWYXNXPELHBVMH-BGYRXZFFSA-N 2 1 345.531 2.892 20 30 EFEDMP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001245989518 1314560526 /nfs/dbraw/zinc/56/05/26/1314560526.db2.gz WYXWITQTDSDVCW-GUDVDZBRSA-N 2 1 326.525 2.989 20 30 EFEDMP CCCCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246030393 1314569661 /nfs/dbraw/zinc/56/96/61/1314569661.db2.gz SGNHQZFBRBWIMN-MOPGFXCFSA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030791 1314570041 /nfs/dbraw/zinc/57/00/41/1314570041.db2.gz YXKYVASPYCESTH-OALUTQOASA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030791 1314570042 /nfs/dbraw/zinc/57/00/42/1314570042.db2.gz YXKYVASPYCESTH-OALUTQOASA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246030401 1314570166 /nfs/dbraw/zinc/57/01/66/1314570166.db2.gz SGNHQZFBRBWIMN-RBUKOAKNSA-N 2 1 325.541 2.515 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029495 1314603132 /nfs/dbraw/zinc/60/31/32/1314603132.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029495 1314603136 /nfs/dbraw/zinc/60/31/36/1314603136.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029495 1314603142 /nfs/dbraw/zinc/60/31/42/1314603142.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246307189 1314608603 /nfs/dbraw/zinc/60/86/03/1314608603.db2.gz JZNBVCVPMZBTJY-GBESFXJTSA-N 2 1 346.471 2.723 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001246306868 1314608659 /nfs/dbraw/zinc/60/86/59/1314608659.db2.gz YSYIAODVMHAJAK-IRXDYDNUSA-N 2 1 336.863 2.624 20 30 EFEDMP CCCCCCCC[N@@H+](CCN)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246312565 1314609308 /nfs/dbraw/zinc/60/93/08/1314609308.db2.gz WIUKNSUTHDBOIY-UHFFFAOYSA-N 2 1 325.541 2.909 20 30 EFEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001246314630 1314609422 /nfs/dbraw/zinc/60/94/22/1314609422.db2.gz XUBBTBZFNBVOBU-HKUYNNGSSA-N 2 1 330.472 2.669 20 30 EFEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001246314631 1314609628 /nfs/dbraw/zinc/60/96/28/1314609628.db2.gz XUBBTBZFNBVOBU-MJGOQNOKSA-N 2 1 330.472 2.669 20 30 EFEDMP C[C@@H](CCCC#N)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246493411 1314637152 /nfs/dbraw/zinc/63/71/52/1314637152.db2.gz JGEBQRQZYWNBCO-FUHWJXTLSA-N 2 1 331.460 2.899 20 30 EFEDMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](CC)[NH2+]1 ZINC001246532358 1314643347 /nfs/dbraw/zinc/64/33/47/1314643347.db2.gz ZABWZDCBGVUBDJ-BWTSREIZSA-N 2 1 326.488 2.989 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055165 1314645493 /nfs/dbraw/zinc/64/54/93/1314645493.db2.gz WEQGJKASOTWZQM-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055165 1314645498 /nfs/dbraw/zinc/64/54/98/1314645498.db2.gz WEQGJKASOTWZQM-RBUKOAKNSA-N 2 1 344.503 2.718 20 30 EFEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246564161 1314648869 /nfs/dbraw/zinc/64/88/69/1314648869.db2.gz WCKLPSFVSXSLTC-MHJFOBGBSA-N 2 1 327.472 2.566 20 30 EFEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246626746 1314660557 /nfs/dbraw/zinc/66/05/57/1314660557.db2.gz KOCGXKFJFNRLPU-YLJYHZDGSA-N 2 1 335.536 2.927 20 30 EFEDMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246790823 1314683456 /nfs/dbraw/zinc/68/34/56/1314683456.db2.gz NBOCFERKGDDKNB-OPVJXMOQSA-N 2 1 326.488 2.989 20 30 EFEDMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246795113 1314683703 /nfs/dbraw/zinc/68/37/03/1314683703.db2.gz LUAICOAASNOJBF-QUCCMNQESA-N 2 1 326.488 2.991 20 30 EFEDMP CCCCCCCCCC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246821950 1314689433 /nfs/dbraw/zinc/68/94/33/1314689433.db2.gz PUYQVAVINJHOBO-FQEVSTJZSA-N 2 1 340.600 2.990 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088193 1314695491 /nfs/dbraw/zinc/69/54/91/1314695491.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088193 1314695495 /nfs/dbraw/zinc/69/54/95/1314695495.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088193 1314695499 /nfs/dbraw/zinc/69/54/99/1314695499.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880096 1314701770 /nfs/dbraw/zinc/70/17/70/1314701770.db2.gz PVXYMAUMEPFMCE-YHYVQYDKSA-N 2 1 331.463 2.962 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882509 1314702100 /nfs/dbraw/zinc/70/21/00/1314702100.db2.gz YUSSGIWNQLGAKU-WTOYTKOKSA-N 2 1 331.463 2.962 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096054 1314707226 /nfs/dbraw/zinc/70/72/26/1314707226.db2.gz OMIOXOUVHHOKTI-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053098953 1314713372 /nfs/dbraw/zinc/71/33/72/1314713372.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098953 1314713376 /nfs/dbraw/zinc/71/33/76/1314713376.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098953 1314713378 /nfs/dbraw/zinc/71/33/78/1314713378.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103964 1314723431 /nfs/dbraw/zinc/72/34/31/1314723431.db2.gz BEBKUOXNBRXBHX-WOJBJXKFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107750 1314731670 /nfs/dbraw/zinc/73/16/70/1314731670.db2.gz LMEYSPAUOKQRMQ-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107750 1314731674 /nfs/dbraw/zinc/73/16/74/1314731674.db2.gz LMEYSPAUOKQRMQ-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108843 1314733301 /nfs/dbraw/zinc/73/33/01/1314733301.db2.gz XHNDJWGNWWLGIW-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108843 1314733306 /nfs/dbraw/zinc/73/33/06/1314733306.db2.gz XHNDJWGNWWLGIW-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401017732 1314792909 /nfs/dbraw/zinc/79/29/09/1314792909.db2.gz JJCAXCRCMUHNBJ-KZNAEPCWSA-N 2 1 349.519 2.567 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401017732 1314792911 /nfs/dbraw/zinc/79/29/11/1314792911.db2.gz JJCAXCRCMUHNBJ-KZNAEPCWSA-N 2 1 349.519 2.567 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248075 1314818286 /nfs/dbraw/zinc/81/82/86/1314818286.db2.gz LUGDPFQKNBTLBB-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248075 1314818292 /nfs/dbraw/zinc/81/82/92/1314818292.db2.gz LUGDPFQKNBTLBB-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248075 1314818297 /nfs/dbraw/zinc/81/82/97/1314818297.db2.gz LUGDPFQKNBTLBB-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987997 1315028836 /nfs/dbraw/zinc/02/88/36/1315028836.db2.gz NXPYKXNZKJWCIK-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987997 1315028841 /nfs/dbraw/zinc/02/88/41/1315028841.db2.gz NXPYKXNZKJWCIK-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217883401 1315119208 /nfs/dbraw/zinc/11/92/08/1315119208.db2.gz FLGKOVJBIRLGCD-JOCHJYFZSA-N 2 1 347.462 2.995 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217883401 1315119211 /nfs/dbraw/zinc/11/92/11/1315119211.db2.gz FLGKOVJBIRLGCD-JOCHJYFZSA-N 2 1 347.462 2.995 20 30 EFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001218337689 1315181264 /nfs/dbraw/zinc/18/12/64/1315181264.db2.gz ZDTNHKUPRGUGET-LJQANCHMSA-N 2 1 333.435 2.857 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054044792 1315214851 /nfs/dbraw/zinc/21/48/51/1315214851.db2.gz DDLIBWPVVUSKOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054044792 1315214858 /nfs/dbraw/zinc/21/48/58/1315214858.db2.gz DDLIBWPVVUSKOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044792 1315214861 /nfs/dbraw/zinc/21/48/61/1315214861.db2.gz DDLIBWPVVUSKOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044792 1315214865 /nfs/dbraw/zinc/21/48/65/1315214865.db2.gz DDLIBWPVVUSKOD-UXHICEINSA-N 2 1 341.499 2.590 20 30 EFEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278588144 1315236088 /nfs/dbraw/zinc/23/60/88/1315236088.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278588144 1315236093 /nfs/dbraw/zinc/23/60/93/1315236093.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278588144 1315236097 /nfs/dbraw/zinc/23/60/97/1315236097.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 2 1 349.482 2.599 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132807 1315341951 /nfs/dbraw/zinc/34/19/51/1315341951.db2.gz ORIJLCBDDBFELH-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133955 1315344694 /nfs/dbraw/zinc/34/46/94/1315344694.db2.gz QOWIYUOHUDOMCT-TZIWHRDSSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135561 1315347283 /nfs/dbraw/zinc/34/72/83/1315347283.db2.gz GAYDPQHUBMNSEG-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135561 1315347287 /nfs/dbraw/zinc/34/72/87/1315347287.db2.gz GAYDPQHUBMNSEG-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135561 1315347290 /nfs/dbraw/zinc/34/72/90/1315347290.db2.gz GAYDPQHUBMNSEG-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054140789 1315355491 /nfs/dbraw/zinc/35/54/91/1315355491.db2.gz ZGTRATFEVSKQJH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054140789 1315355496 /nfs/dbraw/zinc/35/54/96/1315355496.db2.gz ZGTRATFEVSKQJH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054140789 1315355499 /nfs/dbraw/zinc/35/54/99/1315355499.db2.gz ZGTRATFEVSKQJH-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144612 1315362702 /nfs/dbraw/zinc/36/27/02/1315362702.db2.gz AMTHVJMCPJEHER-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144612 1315362706 /nfs/dbraw/zinc/36/27/06/1315362706.db2.gz AMTHVJMCPJEHER-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144612 1315362709 /nfs/dbraw/zinc/36/27/09/1315362709.db2.gz AMTHVJMCPJEHER-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145365 1315363934 /nfs/dbraw/zinc/36/39/34/1315363934.db2.gz ODTJLEUJDHKKFL-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145365 1315363939 /nfs/dbraw/zinc/36/39/39/1315363939.db2.gz ODTJLEUJDHKKFL-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145365 1315363944 /nfs/dbraw/zinc/36/39/44/1315363944.db2.gz ODTJLEUJDHKKFL-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145367 1315364523 /nfs/dbraw/zinc/36/45/23/1315364523.db2.gz ODTJLEUJDHKKFL-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145367 1315364527 /nfs/dbraw/zinc/36/45/27/1315364527.db2.gz ODTJLEUJDHKKFL-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145367 1315364531 /nfs/dbraw/zinc/36/45/31/1315364531.db2.gz ODTJLEUJDHKKFL-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054151786 1315374523 /nfs/dbraw/zinc/37/45/23/1315374523.db2.gz RPOUTEKCTMNDFU-HXUWFJFHSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153610 1315377766 /nfs/dbraw/zinc/37/77/66/1315377766.db2.gz UYJCSERSVNWSCS-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153610 1315377770 /nfs/dbraw/zinc/37/77/70/1315377770.db2.gz UYJCSERSVNWSCS-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153610 1315377773 /nfs/dbraw/zinc/37/77/73/1315377773.db2.gz UYJCSERSVNWSCS-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156825 1315383161 /nfs/dbraw/zinc/38/31/61/1315383161.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156825 1315383165 /nfs/dbraw/zinc/38/31/65/1315383165.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156825 1315383168 /nfs/dbraw/zinc/38/31/68/1315383168.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164795 1315396333 /nfs/dbraw/zinc/39/63/33/1315396333.db2.gz SCXWUOOGASEYDW-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170177 1315403970 /nfs/dbraw/zinc/40/39/70/1315403970.db2.gz CIBCLXYAMYATAO-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185236 1315426757 /nfs/dbraw/zinc/42/67/57/1315426757.db2.gz WFFWACXGJJLHSY-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185236 1315426761 /nfs/dbraw/zinc/42/67/61/1315426761.db2.gz WFFWACXGJJLHSY-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185236 1315426767 /nfs/dbraw/zinc/42/67/67/1315426767.db2.gz WFFWACXGJJLHSY-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197468 1315441254 /nfs/dbraw/zinc/44/12/54/1315441254.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197468 1315441256 /nfs/dbraw/zinc/44/12/56/1315441256.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197468 1315441258 /nfs/dbraw/zinc/44/12/58/1315441258.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197325 1315441877 /nfs/dbraw/zinc/44/18/77/1315441877.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197325 1315441880 /nfs/dbraw/zinc/44/18/80/1315441880.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197325 1315441884 /nfs/dbraw/zinc/44/18/84/1315441884.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220868803 1315458359 /nfs/dbraw/zinc/45/83/59/1315458359.db2.gz VBDOFEHKTZPUCC-GBESFXJTSA-N 2 1 327.472 2.636 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209120 1315459630 /nfs/dbraw/zinc/45/96/30/1315459630.db2.gz JQZDDFKLUBSNBZ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209120 1315459633 /nfs/dbraw/zinc/45/96/33/1315459633.db2.gz JQZDDFKLUBSNBZ-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209627 1315460104 /nfs/dbraw/zinc/46/01/04/1315460104.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209627 1315460107 /nfs/dbraw/zinc/46/01/07/1315460107.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209627 1315460109 /nfs/dbraw/zinc/46/01/09/1315460109.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209629 1315460664 /nfs/dbraw/zinc/46/06/64/1315460664.db2.gz UIVTYOZHOWLGGV-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209629 1315460670 /nfs/dbraw/zinc/46/06/70/1315460670.db2.gz UIVTYOZHOWLGGV-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209629 1315460673 /nfs/dbraw/zinc/46/06/73/1315460673.db2.gz UIVTYOZHOWLGGV-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552194 1315466695 /nfs/dbraw/zinc/46/66/95/1315466695.db2.gz HQTFTIHCZWMKRU-WOJBJXKFSA-N 2 1 344.499 2.679 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597196 1315473068 /nfs/dbraw/zinc/47/30/68/1315473068.db2.gz WDKKRBOUUPQCKV-MSOLQXFVSA-N 2 1 348.487 2.662 20 30 EFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597197 1315473107 /nfs/dbraw/zinc/47/31/07/1315473107.db2.gz WDKKRBOUUPQCKV-QZTJIDSGSA-N 2 1 348.487 2.662 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139550 1315527770 /nfs/dbraw/zinc/52/77/70/1315527770.db2.gz JAVPKMSANQGYMR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139550 1315527775 /nfs/dbraw/zinc/52/77/75/1315527775.db2.gz JAVPKMSANQGYMR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139550 1315527782 /nfs/dbraw/zinc/52/77/82/1315527782.db2.gz JAVPKMSANQGYMR-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140232 1315528327 /nfs/dbraw/zinc/52/83/27/1315528327.db2.gz RBAHEEMVYUPUAC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140232 1315528328 /nfs/dbraw/zinc/52/83/28/1315528328.db2.gz RBAHEEMVYUPUAC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140232 1315528330 /nfs/dbraw/zinc/52/83/30/1315528330.db2.gz RBAHEEMVYUPUAC-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163883 1315562886 /nfs/dbraw/zinc/56/28/86/1315562886.db2.gz BTQDKIPOEWELBE-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039166902 1315567400 /nfs/dbraw/zinc/56/74/00/1315567400.db2.gz HREKCDDMZAGPDJ-GOSISDBHSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039166902 1315567405 /nfs/dbraw/zinc/56/74/05/1315567405.db2.gz HREKCDDMZAGPDJ-GOSISDBHSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253236140 1315583159 /nfs/dbraw/zinc/58/31/59/1315583159.db2.gz AESRWBLRZVCJLP-SLFFLAALSA-N 2 1 337.552 2.584 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180349 1315587410 /nfs/dbraw/zinc/58/74/10/1315587410.db2.gz PJNBGQLSOPDVAX-OALUTQOASA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205255 1315618152 /nfs/dbraw/zinc/61/81/52/1315618152.db2.gz NXZYFEIWPOSYEY-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205255 1315618154 /nfs/dbraw/zinc/61/81/54/1315618154.db2.gz NXZYFEIWPOSYEY-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205255 1315618157 /nfs/dbraw/zinc/61/81/57/1315618157.db2.gz NXZYFEIWPOSYEY-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225739 1315646650 /nfs/dbraw/zinc/64/66/50/1315646650.db2.gz QVUIFXIQHRPQRI-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226564 1315647876 /nfs/dbraw/zinc/64/78/76/1315647876.db2.gz WHNJKOSDXCKQPJ-OALUTQOASA-N 2 1 344.503 2.942 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234159 1315657653 /nfs/dbraw/zinc/65/76/53/1315657653.db2.gz PRCWGAXSIYMTPM-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240381 1315667670 /nfs/dbraw/zinc/66/76/70/1315667670.db2.gz VGDOLBLAIHMXQN-IAGOWNOFSA-N 2 1 330.476 2.621 20 30 EFEDMP N#CC[C@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038661 1315668422 /nfs/dbraw/zinc/66/84/22/1315668422.db2.gz MUHCDXCTUWMESL-LJQANCHMSA-N 2 1 327.472 2.639 20 30 EFEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001254347837 1315697076 /nfs/dbraw/zinc/69/70/76/1315697076.db2.gz RNBBCKLQUGDALF-UHFFFAOYSA-N 2 1 345.462 2.576 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039283466 1315701300 /nfs/dbraw/zinc/70/13/00/1315701300.db2.gz WJDMUJVRIJBTGP-OOKSDGMUSA-N 2 1 342.487 2.532 20 30 EFEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254501027 1315709965 /nfs/dbraw/zinc/70/99/65/1315709965.db2.gz PABQZWQUCFYVOR-IBGZPJMESA-N 2 1 326.488 2.597 20 30 EFEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001254507613 1315711931 /nfs/dbraw/zinc/71/19/31/1315711931.db2.gz DEVVSXJNQZSCJX-LJQANCHMSA-N 2 1 326.488 2.597 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254517824 1315713995 /nfs/dbraw/zinc/71/39/95/1315713995.db2.gz YURONMFIBQVMGJ-SFHVURJKSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[NH+](C)CC1)[C@H]2CC ZINC001254517704 1315714219 /nfs/dbraw/zinc/71/42/19/1315714219.db2.gz JELBEXQNWXEFFE-HBFSDRIKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1CCC[N@H+](C)CC1)[C@H]2CC ZINC001254517704 1315714221 /nfs/dbraw/zinc/71/42/21/1315714221.db2.gz JELBEXQNWXEFFE-HBFSDRIKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1CCC[N@@H+](C)CC1)[C@H]2CC ZINC001254517704 1315714223 /nfs/dbraw/zinc/71/42/23/1315714223.db2.gz JELBEXQNWXEFFE-HBFSDRIKSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039313906 1315714758 /nfs/dbraw/zinc/71/47/58/1315714758.db2.gz WUOHBXCRKKHASK-RAFMOHDBSA-N 2 1 341.499 2.977 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001254645996 1315734768 /nfs/dbraw/zinc/73/47/68/1315734768.db2.gz IOAQZBJWQRKXSH-UAFMIMERSA-N 2 1 330.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001522712 1315735506 /nfs/dbraw/zinc/73/55/06/1315735506.db2.gz OWBTUGJEMCWXNF-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001522712 1315735509 /nfs/dbraw/zinc/73/55/09/1315735509.db2.gz OWBTUGJEMCWXNF-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373427 1315746494 /nfs/dbraw/zinc/74/64/94/1315746494.db2.gz UFPUWDLHDBWGCQ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373427 1315746496 /nfs/dbraw/zinc/74/64/96/1315746496.db2.gz UFPUWDLHDBWGCQ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373427 1315746500 /nfs/dbraw/zinc/74/65/00/1315746500.db2.gz UFPUWDLHDBWGCQ-CEXWTWQISA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392242 1315759778 /nfs/dbraw/zinc/75/97/78/1315759778.db2.gz JLXXWXBCQMJZFS-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397576 1315763851 /nfs/dbraw/zinc/76/38/51/1315763851.db2.gz OEUCNWWDWANNRG-AEFFLSMTSA-N 2 1 338.455 2.898 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397622 1315764083 /nfs/dbraw/zinc/76/40/83/1315764083.db2.gz QREVSFJCKYBZAX-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397622 1315764086 /nfs/dbraw/zinc/76/40/86/1315764086.db2.gz QREVSFJCKYBZAX-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397622 1315764088 /nfs/dbraw/zinc/76/40/88/1315764088.db2.gz QREVSFJCKYBZAX-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410820 1315773379 /nfs/dbraw/zinc/77/33/79/1315773379.db2.gz AQKRBUAKYQFTNQ-HSALFYBXSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCOCc1nn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1C[NH2+]C2 ZINC001255111492 1315776751 /nfs/dbraw/zinc/77/67/51/1315776751.db2.gz FDJDYDNDMQJEEV-KRWDZBQOSA-N 2 1 338.455 2.636 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661030 1315791412 /nfs/dbraw/zinc/79/14/12/1315791412.db2.gz MYZJNOZLRVPEPG-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452133 1315800311 /nfs/dbraw/zinc/80/03/11/1315800311.db2.gz IFALYFIOADOVSF-MOPGFXCFSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CCN1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255389308 1315815267 /nfs/dbraw/zinc/81/52/67/1315815267.db2.gz FLRRDRBJKJJZPR-VQTJNVASSA-N 2 1 341.499 2.808 20 30 EFEDMP C[NH+]1CCC(C#N)(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255393445 1315815605 /nfs/dbraw/zinc/81/56/05/1315815605.db2.gz QMTMXTSNCCTZNE-LJQANCHMSA-N 2 1 326.488 2.619 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078224 1315901376 /nfs/dbraw/zinc/90/13/76/1315901376.db2.gz XKFUCHAABFBNQA-VQTJNVASSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078224 1315901379 /nfs/dbraw/zinc/90/13/79/1315901379.db2.gz XKFUCHAABFBNQA-VQTJNVASSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256621735 1315970279 /nfs/dbraw/zinc/97/02/79/1315970279.db2.gz BDMZKVOBGSISLG-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001256621735 1315970281 /nfs/dbraw/zinc/97/02/81/1315970281.db2.gz BDMZKVOBGSISLG-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001256621735 1315970282 /nfs/dbraw/zinc/97/02/82/1315970282.db2.gz BDMZKVOBGSISLG-NHJHPMQKSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622964 1315971001 /nfs/dbraw/zinc/97/10/01/1315971001.db2.gz MLYALJTXBLKTDA-LMWLFIIJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622964 1315971005 /nfs/dbraw/zinc/97/10/05/1315971005.db2.gz MLYALJTXBLKTDA-LMWLFIIJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622964 1315971009 /nfs/dbraw/zinc/97/10/09/1315971009.db2.gz MLYALJTXBLKTDA-LMWLFIIJSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001256626078 1315971416 /nfs/dbraw/zinc/97/14/16/1315971416.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001256626078 1315971418 /nfs/dbraw/zinc/97/14/18/1315971418.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001256626078 1315971421 /nfs/dbraw/zinc/97/14/21/1315971421.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CCO2 ZINC001256626078 1315971424 /nfs/dbraw/zinc/97/14/24/1315971424.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOCc1nn([C@H]2CCC[N@H+](C3CCCC3)C2)c2c1C[NH2+]C2 ZINC001256916388 1316010050 /nfs/dbraw/zinc/01/00/50/1316010050.db2.gz QBEGEHCJOCCTCH-INIZCTEOSA-N 2 1 330.476 2.768 20 30 EFEDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257009985 1316021152 /nfs/dbraw/zinc/02/11/52/1316021152.db2.gz AMGHEFQNFCXQDO-ACBHZAAOSA-N 2 1 343.471 2.845 20 30 EFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014116 1316110018 /nfs/dbraw/zinc/11/00/18/1316110018.db2.gz CJOXUBICOOJFDK-PMACEKPBSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199974 1316139320 /nfs/dbraw/zinc/13/93/20/1316139320.db2.gz DIOYOXXKMMVXDL-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199974 1316139323 /nfs/dbraw/zinc/13/93/23/1316139323.db2.gz DIOYOXXKMMVXDL-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199974 1316139325 /nfs/dbraw/zinc/13/93/25/1316139325.db2.gz DIOYOXXKMMVXDL-AZUAARDMSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040211719 1316146004 /nfs/dbraw/zinc/14/60/04/1316146004.db2.gz YQXUTKJMUWFPBK-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211719 1316146006 /nfs/dbraw/zinc/14/60/06/1316146006.db2.gz YQXUTKJMUWFPBK-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211719 1316146007 /nfs/dbraw/zinc/14/60/07/1316146007.db2.gz YQXUTKJMUWFPBK-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211183 1316146311 /nfs/dbraw/zinc/14/63/11/1316146311.db2.gz XSHWWPJAQHYBAC-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233366 1316156927 /nfs/dbraw/zinc/15/69/27/1316156927.db2.gz ZCBHCMZWRWWAIX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233366 1316156929 /nfs/dbraw/zinc/15/69/29/1316156929.db2.gz ZCBHCMZWRWWAIX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233366 1316156932 /nfs/dbraw/zinc/15/69/32/1316156932.db2.gz ZCBHCMZWRWWAIX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241634 1316161288 /nfs/dbraw/zinc/16/12/88/1316161288.db2.gz QJHCOOJSTMMDEQ-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241634 1316161289 /nfs/dbraw/zinc/16/12/89/1316161289.db2.gz QJHCOOJSTMMDEQ-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258728922 1316173889 /nfs/dbraw/zinc/17/38/89/1316173889.db2.gz RRAWZIJMMAZCJX-QXAKKESOSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258772797 1316176463 /nfs/dbraw/zinc/17/64/63/1316176463.db2.gz YMMYRQZRRDUWHX-FQEVSTJZSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276554 1316179601 /nfs/dbraw/zinc/17/96/01/1316179601.db2.gz NKYAYODVPOJDBO-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276554 1316179603 /nfs/dbraw/zinc/17/96/03/1316179603.db2.gz NKYAYODVPOJDBO-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276554 1316179606 /nfs/dbraw/zinc/17/96/06/1316179606.db2.gz NKYAYODVPOJDBO-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276559 1316179695 /nfs/dbraw/zinc/17/96/95/1316179695.db2.gz NKYAYODVPOJDBO-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276559 1316179696 /nfs/dbraw/zinc/17/96/96/1316179696.db2.gz NKYAYODVPOJDBO-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276559 1316179697 /nfs/dbraw/zinc/17/96/97/1316179697.db2.gz NKYAYODVPOJDBO-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312256 1316196692 /nfs/dbraw/zinc/19/66/92/1316196692.db2.gz AQZXAKNIMGDERT-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313789 1316197681 /nfs/dbraw/zinc/19/76/81/1316197681.db2.gz MWVNWPUFDXAOBV-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313783 1316197901 /nfs/dbraw/zinc/19/79/01/1316197901.db2.gz MWVNWPUFDXAOBV-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040348882 1316214861 /nfs/dbraw/zinc/21/48/61/1316214861.db2.gz TURXELGRHANBIT-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348882 1316214865 /nfs/dbraw/zinc/21/48/65/1316214865.db2.gz TURXELGRHANBIT-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348882 1316214867 /nfs/dbraw/zinc/21/48/67/1316214867.db2.gz TURXELGRHANBIT-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040378730 1316229973 /nfs/dbraw/zinc/22/99/73/1316229973.db2.gz GKQQMADULMFBGG-UYAOXDASSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396573 1316242317 /nfs/dbraw/zinc/24/23/17/1316242317.db2.gz VXPURSPEYKVGLE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396573 1316242320 /nfs/dbraw/zinc/24/23/20/1316242320.db2.gz VXPURSPEYKVGLE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396573 1316242323 /nfs/dbraw/zinc/24/23/23/1316242323.db2.gz VXPURSPEYKVGLE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396573 1316242326 /nfs/dbraw/zinc/24/23/26/1316242326.db2.gz VXPURSPEYKVGLE-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430897 1316261115 /nfs/dbraw/zinc/26/11/15/1316261115.db2.gz DKRXIQJLFZTSNN-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432168 1316262187 /nfs/dbraw/zinc/26/21/87/1316262187.db2.gz MKTQCGJFXSFIMR-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432995 1316262743 /nfs/dbraw/zinc/26/27/43/1316262743.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432995 1316262745 /nfs/dbraw/zinc/26/27/45/1316262745.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040432995 1316262746 /nfs/dbraw/zinc/26/27/46/1316262746.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433565 1316263166 /nfs/dbraw/zinc/26/31/66/1316263166.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433565 1316263168 /nfs/dbraw/zinc/26/31/68/1316263168.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433565 1316263170 /nfs/dbraw/zinc/26/31/70/1316263170.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433569 1316263339 /nfs/dbraw/zinc/26/33/39/1316263339.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433569 1316263342 /nfs/dbraw/zinc/26/33/42/1316263342.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433569 1316263345 /nfs/dbraw/zinc/26/33/45/1316263345.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040476889 1316284796 /nfs/dbraw/zinc/28/47/96/1316284796.db2.gz AKAUEFUSKUDHRO-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480606 1316286945 /nfs/dbraw/zinc/28/69/45/1316286945.db2.gz UWWQUHVMSCEMLC-FQEVSTJZSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542693 1316315351 /nfs/dbraw/zinc/31/53/51/1316315351.db2.gz COAHWQIAEUYDFP-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545575 1316316821 /nfs/dbraw/zinc/31/68/21/1316316821.db2.gz RDGMYIXXXODVHA-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040699543 1316354299 /nfs/dbraw/zinc/35/42/99/1316354299.db2.gz ATKFUHAUYHAXHO-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746148 1316365452 /nfs/dbraw/zinc/36/54/52/1316365452.db2.gz WJTVNJLBHSEPKJ-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001040755123 1316368084 /nfs/dbraw/zinc/36/80/84/1316368084.db2.gz PXEXXUGWBDEUBN-UHFFFAOYSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040756862 1316368354 /nfs/dbraw/zinc/36/83/54/1316368354.db2.gz JOCFCRJABHBTFC-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001040876076 1316395391 /nfs/dbraw/zinc/39/53/91/1316395391.db2.gz ALIWIIAUYOBQPT-KRWDZBQOSA-N 2 1 344.503 2.869 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882179 1316396705 /nfs/dbraw/zinc/39/67/05/1316396705.db2.gz ACSPWTZEVTULEW-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040915050 1316403945 /nfs/dbraw/zinc/40/39/45/1316403945.db2.gz UXQDRSMUQNNTHB-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276167 1316499026 /nfs/dbraw/zinc/49/90/26/1316499026.db2.gz HOHBZSABAUNAJF-FUHWJXTLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276167 1316499029 /nfs/dbraw/zinc/49/90/29/1316499029.db2.gz HOHBZSABAUNAJF-FUHWJXTLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276167 1316499032 /nfs/dbraw/zinc/49/90/32/1316499032.db2.gz HOHBZSABAUNAJF-FUHWJXTLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276167 1316499035 /nfs/dbraw/zinc/49/90/35/1316499035.db2.gz HOHBZSABAUNAJF-FUHWJXTLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339572 1316520293 /nfs/dbraw/zinc/52/02/93/1316520293.db2.gz PTEWJHLHTRZCME-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339572 1316520295 /nfs/dbraw/zinc/52/02/95/1316520295.db2.gz PTEWJHLHTRZCME-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339572 1316520296 /nfs/dbraw/zinc/52/02/96/1316520296.db2.gz PTEWJHLHTRZCME-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001263341430 1316534242 /nfs/dbraw/zinc/53/42/42/1316534242.db2.gz NRGQEJCNEQXIAP-IRXDYDNUSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477286 1316562765 /nfs/dbraw/zinc/56/27/65/1316562765.db2.gz ZZJVBPIBXCRTMW-SFHVURJKSA-N 2 1 344.846 2.625 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477286 1316562766 /nfs/dbraw/zinc/56/27/66/1316562766.db2.gz ZZJVBPIBXCRTMW-SFHVURJKSA-N 2 1 344.846 2.625 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587838 1316609494 /nfs/dbraw/zinc/60/94/94/1316609494.db2.gz SOAWDIKJFXRUPJ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587838 1316609496 /nfs/dbraw/zinc/60/94/96/1316609496.db2.gz SOAWDIKJFXRUPJ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587838 1316609497 /nfs/dbraw/zinc/60/94/97/1316609497.db2.gz SOAWDIKJFXRUPJ-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587836 1316609591 /nfs/dbraw/zinc/60/95/91/1316609591.db2.gz SOAWDIKJFXRUPJ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587836 1316609593 /nfs/dbraw/zinc/60/95/93/1316609593.db2.gz SOAWDIKJFXRUPJ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587836 1316609596 /nfs/dbraw/zinc/60/95/96/1316609596.db2.gz SOAWDIKJFXRUPJ-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724340 1316666729 /nfs/dbraw/zinc/66/67/29/1316666729.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724340 1316666733 /nfs/dbraw/zinc/66/67/33/1316666733.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724340 1316666735 /nfs/dbraw/zinc/66/67/35/1316666735.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725138 1316667896 /nfs/dbraw/zinc/66/78/96/1316667896.db2.gz KSWIGRHCUAWLSE-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742349 1316676365 /nfs/dbraw/zinc/67/63/65/1316676365.db2.gz AZQCMLAVSBBRDL-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757216 1316683534 /nfs/dbraw/zinc/68/35/34/1316683534.db2.gz QYTWUTDLDSNSHV-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846063 1316731963 /nfs/dbraw/zinc/73/19/63/1316731963.db2.gz WJVOEVGTXBPNKN-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847424 1316733399 /nfs/dbraw/zinc/73/33/99/1316733399.db2.gz QVRDSJVYGWZADP-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847424 1316733401 /nfs/dbraw/zinc/73/34/01/1316733401.db2.gz QVRDSJVYGWZADP-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121256 1316893044 /nfs/dbraw/zinc/89/30/44/1316893044.db2.gz GAEPSTKJTJTUAN-LPHOPBHVSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121051 1316893448 /nfs/dbraw/zinc/89/34/48/1316893448.db2.gz DFSBGTUGQYWZIU-LPHOPBHVSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158234 1316918929 /nfs/dbraw/zinc/91/89/29/1316918929.db2.gz VYBODAXVPLIIKE-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042259797 1317048947 /nfs/dbraw/zinc/04/89/47/1317048947.db2.gz SBHFWYGIFVYFDK-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270563 1317067729 /nfs/dbraw/zinc/06/77/29/1317067729.db2.gz PZJRTFJRERBFJR-AZUAARDMSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288700 1317096798 /nfs/dbraw/zinc/09/67/98/1317096798.db2.gz UVBUVSOZWHPIJE-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297922 1317111909 /nfs/dbraw/zinc/11/19/09/1317111909.db2.gz XXFSSVYUDPYEPI-ICSRJNTNSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365843 1317217968 /nfs/dbraw/zinc/21/79/68/1317217968.db2.gz RCQXROJKQDCPAQ-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042372931 1317230146 /nfs/dbraw/zinc/23/01/46/1317230146.db2.gz BJASZWCPFRXSQR-SJLPKXTDSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042372930 1317231579 /nfs/dbraw/zinc/23/15/79/1317231579.db2.gz BJASZWCPFRXSQR-FUHWJXTLSA-N 2 1 345.487 2.844 20 30 EFEDMP Cc1cccc(N2C[C@@H]3CC[N@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001279752676 1317377028 /nfs/dbraw/zinc/37/70/28/1317377028.db2.gz PIDYZXJANDNWKD-KDURUIRLSA-N 2 1 349.482 2.949 20 30 EFEDMP Cc1cccc(N2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001279752676 1317377037 /nfs/dbraw/zinc/37/70/37/1317377037.db2.gz PIDYZXJANDNWKD-KDURUIRLSA-N 2 1 349.482 2.949 20 30 EFEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281299688 1318156521 /nfs/dbraw/zinc/15/65/21/1318156521.db2.gz PRVFLDCBXNWJJU-LJQANCHMSA-N 2 1 329.488 2.781 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2F)CC1 ZINC001335370205 1331339921 /nfs/dbraw/zinc/33/99/21/1331339921.db2.gz IVURMZVOPOCGLF-UHFFFAOYSA-N 2 1 338.430 2.739 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001335398430 1331342582 /nfs/dbraw/zinc/34/25/82/1331342582.db2.gz PKLKMIUKAWKESP-KRWDZBQOSA-N 2 1 340.389 2.816 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089913 1332138165 /nfs/dbraw/zinc/13/81/65/1332138165.db2.gz HFKVJLQLDAMCBM-OALUTQOASA-N 2 1 329.488 2.651 20 30 EFEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001345606884 1332552835 /nfs/dbraw/zinc/55/28/35/1332552835.db2.gz RSNGSHZZJKFNDD-KRWDZBQOSA-N 2 1 342.487 2.989 20 30 EFEDMP C=C(Cl)CN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911424 1333717365 /nfs/dbraw/zinc/71/73/65/1333717365.db2.gz OGWLVGIDGZFATP-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911424 1333717367 /nfs/dbraw/zinc/71/73/67/1333717367.db2.gz OGWLVGIDGZFATP-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001407552477 1368976264 /nfs/dbraw/zinc/97/62/64/1368976264.db2.gz UCPFFCXVPAXPOG-LSDHHAIUSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001366208737 1337444048 /nfs/dbraw/zinc/44/40/48/1337444048.db2.gz VORMUUBDBQFAHM-INIZCTEOSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234593 1337468162 /nfs/dbraw/zinc/46/81/62/1337468162.db2.gz XDAOOTLPEPIBDR-SJORKVTESA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001367433325 1338734697 /nfs/dbraw/zinc/73/46/97/1338734697.db2.gz IXNGUGJDYCBPFL-MRXNPFEDSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001368459288 1339396427 /nfs/dbraw/zinc/39/64/27/1339396427.db2.gz ZRHXMRGKUMBAHA-MRXNPFEDSA-N 2 1 338.883 2.695 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001368774571 1339691654 /nfs/dbraw/zinc/69/16/54/1339691654.db2.gz FEFGIEIHEZFNDS-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001375580780 1342899922 /nfs/dbraw/zinc/89/99/22/1342899922.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001375580780 1342899929 /nfs/dbraw/zinc/89/99/29/1342899929.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001375580780 1342899936 /nfs/dbraw/zinc/89/99/36/1342899936.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001375934878 1343183175 /nfs/dbraw/zinc/18/31/75/1343183175.db2.gz OXKVYXRDBYKYHY-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001390616203 1354211847 /nfs/dbraw/zinc/21/18/47/1354211847.db2.gz QAKNJFAFYRCXSX-GJZGRUSLSA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001391363082 1355128613 /nfs/dbraw/zinc/12/86/13/1355128613.db2.gz OJKJPILILVRJHQ-INIZCTEOSA-N 2 1 347.906 2.589 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001391366535 1355134202 /nfs/dbraw/zinc/13/42/02/1355134202.db2.gz VWTAVBLRAFBHKE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001391366535 1355134208 /nfs/dbraw/zinc/13/42/08/1355134208.db2.gz VWTAVBLRAFBHKE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001391366535 1355134212 /nfs/dbraw/zinc/13/42/12/1355134212.db2.gz VWTAVBLRAFBHKE-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001397136361 1359698244 /nfs/dbraw/zinc/69/82/44/1359698244.db2.gz NCOVXHZABYTUGA-KBAYOESNSA-N 2 1 349.906 2.916 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001398727248 1360744665 /nfs/dbraw/zinc/74/46/65/1360744665.db2.gz KMHKPSFCWIKVEH-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001398727248 1360744668 /nfs/dbraw/zinc/74/46/68/1360744668.db2.gz KMHKPSFCWIKVEH-GOSISDBHSA-N 2 1 349.906 2.699 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001401299428 1362645713 /nfs/dbraw/zinc/64/57/13/1362645713.db2.gz RFMWWCOUSXHXIM-XJKSGUPXSA-N 2 1 338.883 2.551 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001401303351 1362648723 /nfs/dbraw/zinc/64/87/23/1362648723.db2.gz BTGPMCXRLJQVIU-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001401303351 1362648724 /nfs/dbraw/zinc/64/87/24/1362648724.db2.gz BTGPMCXRLJQVIU-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001401303351 1362648726 /nfs/dbraw/zinc/64/87/26/1362648726.db2.gz BTGPMCXRLJQVIU-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001401962916 1363280502 /nfs/dbraw/zinc/28/05/02/1363280502.db2.gz PEFNKLJSRFJZNC-INIZCTEOSA-N 2 1 339.911 2.774 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120527 1363425796 /nfs/dbraw/zinc/42/57/96/1363425796.db2.gz AVRIIKHHTLRGAH-QGZVFWFLSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120527 1363425798 /nfs/dbraw/zinc/42/57/98/1363425798.db2.gz AVRIIKHHTLRGAH-QGZVFWFLSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001402496082 1363739059 /nfs/dbraw/zinc/73/90/59/1363739059.db2.gz OSQHYBOAXIMOLL-QEJZJMRPSA-N 2 1 338.883 2.605 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001407011510 1368320752 /nfs/dbraw/zinc/32/07/52/1368320752.db2.gz QVQSUTBTPMLRKC-MQVJKMGUSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001407906432 1369375575 /nfs/dbraw/zinc/37/55/75/1369375575.db2.gz REVGQPWILMZMIB-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001407906432 1369375581 /nfs/dbraw/zinc/37/55/81/1369375581.db2.gz REVGQPWILMZMIB-UHFFFAOYSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001408307649 1369804039 /nfs/dbraw/zinc/80/40/39/1369804039.db2.gz MRWGDZUYSZBCGQ-KZNAEPCWSA-N 2 1 349.906 2.697 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001437990699 1388303600 /nfs/dbraw/zinc/30/36/00/1388303600.db2.gz XVTCMEBLHYEYKY-INIZCTEOSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001437990699 1388303606 /nfs/dbraw/zinc/30/36/06/1388303606.db2.gz XVTCMEBLHYEYKY-INIZCTEOSA-N 2 1 338.883 2.505 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001418746786 1374451576 /nfs/dbraw/zinc/45/15/76/1374451576.db2.gz OPYIFAIHOZXXBA-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418903235 1374661720 /nfs/dbraw/zinc/66/17/20/1374661720.db2.gz CQRJHPDOAURFHX-INIZCTEOSA-N 2 1 338.883 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418903235 1374661725 /nfs/dbraw/zinc/66/17/25/1374661725.db2.gz CQRJHPDOAURFHX-INIZCTEOSA-N 2 1 338.883 2.552 20 30 EFEDMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336763 1388516779 /nfs/dbraw/zinc/51/67/79/1388516779.db2.gz PNRACUDIXGZLKH-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001421109317 1378138362 /nfs/dbraw/zinc/13/83/62/1378138362.db2.gz SGXJWVGQMNHMFX-GDBMZVCRSA-N 2 1 338.883 2.693 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001421580110 1378841728 /nfs/dbraw/zinc/84/17/28/1378841728.db2.gz RTFJMENJEUXMPH-RHSMWYFYSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001421732898 1379051788 /nfs/dbraw/zinc/05/17/88/1379051788.db2.gz SVYVBITZUKBUNY-YOEHRIQHSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001421732891 1379051814 /nfs/dbraw/zinc/05/18/14/1379051814.db2.gz SVYVBITZUKBUNY-RHSMWYFYSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001425875608 1383820495 /nfs/dbraw/zinc/82/04/95/1383820495.db2.gz JPLQOPIMEMUWRB-DOTOQJQBSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001440890451 1389982086 /nfs/dbraw/zinc/98/20/86/1389982086.db2.gz VGBRXIRERSBXJE-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001447741540 1391748559 /nfs/dbraw/zinc/74/85/59/1391748559.db2.gz UXEUQBOCBYKSII-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001493846394 1398919077 /nfs/dbraw/zinc/91/90/77/1398919077.db2.gz FTUBQPBCYSIFBW-OAHLLOKOSA-N 2 1 329.916 2.688 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494754773 1399456619 /nfs/dbraw/zinc/45/66/19/1399456619.db2.gz UCYGBEKHVWOLOB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001494754773 1399456620 /nfs/dbraw/zinc/45/66/20/1399456620.db2.gz UCYGBEKHVWOLOB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001494754773 1399456621 /nfs/dbraw/zinc/45/66/21/1399456621.db2.gz UCYGBEKHVWOLOB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001496505124 1400780995 /nfs/dbraw/zinc/78/09/95/1400780995.db2.gz UHHBFJCWFYBKEZ-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001496505124 1400781001 /nfs/dbraw/zinc/78/10/01/1400781001.db2.gz UHHBFJCWFYBKEZ-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001496505124 1400781005 /nfs/dbraw/zinc/78/10/05/1400781005.db2.gz UHHBFJCWFYBKEZ-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118632 712913328 /nfs/dbraw/zinc/91/33/28/712913328.db2.gz VMOMPLYOPUTHFJ-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118632 712913330 /nfs/dbraw/zinc/91/33/30/712913330.db2.gz VMOMPLYOPUTHFJ-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153931 712940583 /nfs/dbraw/zinc/94/05/83/712940583.db2.gz SRWOHOMQEJEKBE-HXUWFJFHSA-N 2 1 341.499 2.746 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000383177156 713069905 /nfs/dbraw/zinc/06/99/05/713069905.db2.gz OVYZUAUQLBSZMX-DLBZAZTESA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000383177156 713069907 /nfs/dbraw/zinc/06/99/07/713069907.db2.gz OVYZUAUQLBSZMX-DLBZAZTESA-N 2 1 337.508 2.615 20 30 EFEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969683427 713217673 /nfs/dbraw/zinc/21/76/73/713217673.db2.gz ZYXYXTMRTGKDFN-IRXDYDNUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969691905 713220330 /nfs/dbraw/zinc/22/03/30/713220330.db2.gz AVMLNLRLLNEQFO-WBVHZDCISA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134329 713469966 /nfs/dbraw/zinc/46/99/66/713469966.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134329 713469967 /nfs/dbraw/zinc/46/99/67/713469967.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134329 713469968 /nfs/dbraw/zinc/46/99/68/713469968.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326244 713636434 /nfs/dbraw/zinc/63/64/34/713636434.db2.gz OLYLJAVHTDFIAT-VQIMIIECSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669952 714271394 /nfs/dbraw/zinc/27/13/94/714271394.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669952 714271397 /nfs/dbraw/zinc/27/13/97/714271397.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669952 714271400 /nfs/dbraw/zinc/27/14/00/714271400.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701248 714334482 /nfs/dbraw/zinc/33/44/82/714334482.db2.gz WORGIUBUYVCJPV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980251082 717980616 /nfs/dbraw/zinc/98/06/16/717980616.db2.gz FULBZSSOCAXMCA-UHOSZYNNSA-N 2 1 341.499 2.765 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971827140 715044918 /nfs/dbraw/zinc/04/49/18/715044918.db2.gz CJXASHOMLCNFBF-MRXNPFEDSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971827140 715044920 /nfs/dbraw/zinc/04/49/20/715044920.db2.gz CJXASHOMLCNFBF-MRXNPFEDSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971827140 715044922 /nfs/dbraw/zinc/04/49/22/715044922.db2.gz CJXASHOMLCNFBF-MRXNPFEDSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971827140 715044923 /nfs/dbraw/zinc/04/49/23/715044923.db2.gz CJXASHOMLCNFBF-MRXNPFEDSA-N 2 1 341.927 2.925 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618023 718030960 /nfs/dbraw/zinc/03/09/60/718030960.db2.gz PANGYGKXFAQCNX-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618023 718030963 /nfs/dbraw/zinc/03/09/63/718030963.db2.gz PANGYGKXFAQCNX-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618023 718030967 /nfs/dbraw/zinc/03/09/67/718030967.db2.gz PANGYGKXFAQCNX-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618023 718030971 /nfs/dbraw/zinc/03/09/71/718030971.db2.gz PANGYGKXFAQCNX-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623508 718035276 /nfs/dbraw/zinc/03/52/76/718035276.db2.gz FFTVQSAOJNDVPV-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623508 718035279 /nfs/dbraw/zinc/03/52/79/718035279.db2.gz FFTVQSAOJNDVPV-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005406 715238510 /nfs/dbraw/zinc/23/85/10/715238510.db2.gz LOFFTGCZDVUVBN-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368107 715299205 /nfs/dbraw/zinc/29/92/05/715299205.db2.gz NUPRFDWDMPEFLF-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368107 715299210 /nfs/dbraw/zinc/29/92/10/715299210.db2.gz NUPRFDWDMPEFLF-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974947241 715369590 /nfs/dbraw/zinc/36/95/90/715369590.db2.gz NXWUDZYNEBJIQT-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947241 715369595 /nfs/dbraw/zinc/36/95/95/715369595.db2.gz NXWUDZYNEBJIQT-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947241 715369603 /nfs/dbraw/zinc/36/96/03/715369603.db2.gz NXWUDZYNEBJIQT-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044045 715447567 /nfs/dbraw/zinc/44/75/67/715447567.db2.gz WYBWZBQMJXDZLP-AEFFLSMTSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044045 715447568 /nfs/dbraw/zinc/44/75/68/715447568.db2.gz WYBWZBQMJXDZLP-AEFFLSMTSA-N 2 1 344.503 2.547 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712242 724417507 /nfs/dbraw/zinc/41/75/07/724417507.db2.gz PVEBGLDNSUJEFG-HNNXBMFYSA-N 2 1 342.409 2.637 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000303792120 724422706 /nfs/dbraw/zinc/42/27/06/724422706.db2.gz YCXCADMIAGFROJ-FUHWJXTLSA-N 2 1 344.503 2.879 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027446175 715831384 /nfs/dbraw/zinc/83/13/84/715831384.db2.gz AOWRWPNOZBIQDL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027446175 715831389 /nfs/dbraw/zinc/83/13/89/715831389.db2.gz AOWRWPNOZBIQDL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027446175 715831394 /nfs/dbraw/zinc/83/13/94/715831394.db2.gz AOWRWPNOZBIQDL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027446175 715831397 /nfs/dbraw/zinc/83/13/97/715831397.db2.gz AOWRWPNOZBIQDL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027446175 715831402 /nfs/dbraw/zinc/83/14/02/715831402.db2.gz AOWRWPNOZBIQDL-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027446558 715832731 /nfs/dbraw/zinc/83/27/31/715832731.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027446558 715832736 /nfs/dbraw/zinc/83/27/36/715832736.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027446558 715832743 /nfs/dbraw/zinc/83/27/43/715832743.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027446558 715832748 /nfs/dbraw/zinc/83/27/48/715832748.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027446558 715832753 /nfs/dbraw/zinc/83/27/53/715832753.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449778 715841216 /nfs/dbraw/zinc/84/12/16/715841216.db2.gz GZXGNWRRTKCWIS-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449778 715841224 /nfs/dbraw/zinc/84/12/24/715841224.db2.gz GZXGNWRRTKCWIS-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449778 715841232 /nfs/dbraw/zinc/84/12/32/715841232.db2.gz GZXGNWRRTKCWIS-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449778 715841239 /nfs/dbraw/zinc/84/12/39/715841239.db2.gz GZXGNWRRTKCWIS-CVEARBPZSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504773 716086052 /nfs/dbraw/zinc/08/60/52/716086052.db2.gz IFZWLSBDNPSILT-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504773 716086058 /nfs/dbraw/zinc/08/60/58/716086058.db2.gz IFZWLSBDNPSILT-DLBZAZTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707765 716133852 /nfs/dbraw/zinc/13/38/52/716133852.db2.gz YBYYDQZDVGFXOM-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647246 716305620 /nfs/dbraw/zinc/30/56/20/716305620.db2.gz MCMPEDCYOHBZAB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978644040 716325856 /nfs/dbraw/zinc/32/58/56/716325856.db2.gz ZCVYHQRYLIWNAK-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978644040 716325860 /nfs/dbraw/zinc/32/58/60/716325860.db2.gz ZCVYHQRYLIWNAK-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978644040 716325864 /nfs/dbraw/zinc/32/58/64/716325864.db2.gz ZCVYHQRYLIWNAK-HAGHYFMRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552276 716364326 /nfs/dbraw/zinc/36/43/26/716364326.db2.gz TUMLMMIJECNKHY-UKRRQHHQSA-N 2 1 332.835 2.670 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552276 716364332 /nfs/dbraw/zinc/36/43/32/716364332.db2.gz TUMLMMIJECNKHY-UKRRQHHQSA-N 2 1 332.835 2.670 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369894 716388838 /nfs/dbraw/zinc/38/88/38/716388838.db2.gz ICTJOIXYDNZUIE-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369894 716388845 /nfs/dbraw/zinc/38/88/45/716388845.db2.gz ICTJOIXYDNZUIE-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369894 716388854 /nfs/dbraw/zinc/38/88/54/716388854.db2.gz ICTJOIXYDNZUIE-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621844 716422245 /nfs/dbraw/zinc/42/22/45/716422245.db2.gz JLYDMRLQSYTGRP-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409979 716430695 /nfs/dbraw/zinc/43/06/95/716430695.db2.gz KHKRIQYFQCIYSE-RTBURBONSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409979 716430698 /nfs/dbraw/zinc/43/06/98/716430698.db2.gz KHKRIQYFQCIYSE-RTBURBONSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409979 716430702 /nfs/dbraw/zinc/43/07/02/716430702.db2.gz KHKRIQYFQCIYSE-RTBURBONSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556753 716479611 /nfs/dbraw/zinc/47/96/11/716479611.db2.gz SWIXZFSSGFWFLL-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556753 716479613 /nfs/dbraw/zinc/47/96/13/716479613.db2.gz SWIXZFSSGFWFLL-SJORKVTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453690 716487958 /nfs/dbraw/zinc/48/79/58/716487958.db2.gz FUCJJWIDLPOHQD-OAHLLOKOSA-N 2 1 346.862 2.837 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694076 716547577 /nfs/dbraw/zinc/54/75/77/716547577.db2.gz QUZDKNLWZSKTTQ-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027694076 716547583 /nfs/dbraw/zinc/54/75/83/716547583.db2.gz QUZDKNLWZSKTTQ-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694076 716547585 /nfs/dbraw/zinc/54/75/85/716547585.db2.gz QUZDKNLWZSKTTQ-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027694076 716547590 /nfs/dbraw/zinc/54/75/90/716547590.db2.gz QUZDKNLWZSKTTQ-HZPDHXFCSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694493 716549029 /nfs/dbraw/zinc/54/90/29/716549029.db2.gz AHSNATFUJLIUMC-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694493 716549034 /nfs/dbraw/zinc/54/90/34/716549034.db2.gz AHSNATFUJLIUMC-DLBZAZTESA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508058 716558076 /nfs/dbraw/zinc/55/80/76/716558076.db2.gz HEZGPCIEUOZFNP-SFHVURJKSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023548094 716613024 /nfs/dbraw/zinc/61/30/24/716613024.db2.gz BCBPRSWMVKECGA-IAGOWNOFSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023548094 716613027 /nfs/dbraw/zinc/61/30/27/716613027.db2.gz BCBPRSWMVKECGA-IAGOWNOFSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023548094 716613030 /nfs/dbraw/zinc/61/30/30/716613030.db2.gz BCBPRSWMVKECGA-IAGOWNOFSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023548094 716613034 /nfs/dbraw/zinc/61/30/34/716613034.db2.gz BCBPRSWMVKECGA-IAGOWNOFSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552247 716615238 /nfs/dbraw/zinc/61/52/38/716615238.db2.gz BQHVYGLDNMCKTC-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552247 716615240 /nfs/dbraw/zinc/61/52/40/716615240.db2.gz BQHVYGLDNMCKTC-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552247 716615243 /nfs/dbraw/zinc/61/52/43/716615243.db2.gz BQHVYGLDNMCKTC-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552723 716616177 /nfs/dbraw/zinc/61/61/77/716616177.db2.gz MBILSASEZJRMKZ-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552723 716616178 /nfs/dbraw/zinc/61/61/78/716616178.db2.gz MBILSASEZJRMKZ-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552723 716616180 /nfs/dbraw/zinc/61/61/80/716616180.db2.gz MBILSASEZJRMKZ-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694783 716832791 /nfs/dbraw/zinc/83/27/91/716832791.db2.gz KYGKZAHOTMQRAY-LJQANCHMSA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602411 716917928 /nfs/dbraw/zinc/91/79/28/716917928.db2.gz SXZXGCAHFKVASS-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602411 716917932 /nfs/dbraw/zinc/91/79/32/716917932.db2.gz SXZXGCAHFKVASS-IAGOWNOFSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978280853 716943898 /nfs/dbraw/zinc/94/38/98/716943898.db2.gz ZNMGXZGKPZVGHN-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978280853 716943901 /nfs/dbraw/zinc/94/39/01/716943901.db2.gz ZNMGXZGKPZVGHN-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978280853 716943905 /nfs/dbraw/zinc/94/39/05/716943905.db2.gz ZNMGXZGKPZVGHN-YSTOQKLRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761542 716974514 /nfs/dbraw/zinc/97/45/14/716974514.db2.gz CDEQZSQDZYZDKX-QGZVFWFLSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761542 716974518 /nfs/dbraw/zinc/97/45/18/716974518.db2.gz CDEQZSQDZYZDKX-QGZVFWFLSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763370 716976358 /nfs/dbraw/zinc/97/63/58/716976358.db2.gz LBQCDLOMJVRJKJ-INIZCTEOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763370 716976362 /nfs/dbraw/zinc/97/63/62/716976362.db2.gz LBQCDLOMJVRJKJ-INIZCTEOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490811 717343470 /nfs/dbraw/zinc/34/34/70/717343470.db2.gz MOKZYEUDJVDYJY-IRXDYDNUSA-N 2 1 335.879 2.575 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980143878 717790804 /nfs/dbraw/zinc/79/08/04/717790804.db2.gz OBXNIPMBEVKFMM-CGTJXYLNSA-N 2 1 338.455 2.741 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980166094 717830270 /nfs/dbraw/zinc/83/02/70/717830270.db2.gz DVHNZUOASPZKFB-BZSNNMDCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166819 717831140 /nfs/dbraw/zinc/83/11/40/717831140.db2.gz JLZIEHNWEAXFCV-IPMKNSEASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166819 717831143 /nfs/dbraw/zinc/83/11/43/717831143.db2.gz JLZIEHNWEAXFCV-IPMKNSEASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166819 717831146 /nfs/dbraw/zinc/83/11/46/717831146.db2.gz JLZIEHNWEAXFCV-IPMKNSEASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181194 717848514 /nfs/dbraw/zinc/84/85/14/717848514.db2.gz XLULYOYIJDHXSN-FHWLQOOXSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521416 717867375 /nfs/dbraw/zinc/86/73/75/717867375.db2.gz SGFJDPKAVYTIOL-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187567 717875873 /nfs/dbraw/zinc/87/58/73/717875873.db2.gz OZFQYDILOMGCOQ-IPMKNSEASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711934 718101561 /nfs/dbraw/zinc/10/15/61/718101561.db2.gz NFKRAENZLKMGHI-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712346 718105884 /nfs/dbraw/zinc/10/58/84/718105884.db2.gz VGHPKZLJRXIYOS-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751850 718135100 /nfs/dbraw/zinc/13/51/00/718135100.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751850 718135101 /nfs/dbraw/zinc/13/51/01/718135101.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751850 718135102 /nfs/dbraw/zinc/13/51/02/718135102.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750023 718135725 /nfs/dbraw/zinc/13/57/25/718135725.db2.gz JYZZTHQDGFUHTH-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947308871 718226521 /nfs/dbraw/zinc/22/65/21/718226521.db2.gz ASUKARJWEUSQKL-HZPDHXFCSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947308871 718226523 /nfs/dbraw/zinc/22/65/23/718226523.db2.gz ASUKARJWEUSQKL-HZPDHXFCSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018069219 718402321 /nfs/dbraw/zinc/40/23/21/718402321.db2.gz CRRFMMUJXXXMSH-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246771 718466864 /nfs/dbraw/zinc/46/68/64/718466864.db2.gz HCLVTXVBRWZOKY-MSOLQXFVSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259649 718476102 /nfs/dbraw/zinc/47/61/02/718476102.db2.gz SKYCNEACMLWMMI-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259650 718476208 /nfs/dbraw/zinc/47/62/08/718476208.db2.gz SKYCNEACMLWMMI-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275655 718514127 /nfs/dbraw/zinc/51/41/27/718514127.db2.gz YDEBDUPAKXHRIX-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279945 718518271 /nfs/dbraw/zinc/51/82/71/718518271.db2.gz JHCCDPPCLLZMLO-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294129 718535826 /nfs/dbraw/zinc/53/58/26/718535826.db2.gz IKSRIJWDUTYXEG-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294129 718535830 /nfs/dbraw/zinc/53/58/30/718535830.db2.gz IKSRIJWDUTYXEG-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294254 718536715 /nfs/dbraw/zinc/53/67/15/718536715.db2.gz YGXKPCCUTDIJSP-MSOLQXFVSA-N 2 1 330.476 2.682 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001025301860 718540773 /nfs/dbraw/zinc/54/07/73/718540773.db2.gz QHECIZMFLACXOX-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301651 718547375 /nfs/dbraw/zinc/54/73/75/718547375.db2.gz NSGKFBDLMXPJMZ-WOJBJXKFSA-N 2 1 345.531 2.731 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC000981361290 718663968 /nfs/dbraw/zinc/66/39/68/718663968.db2.gz CWKKBQIBJOSKDD-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC000981361290 718663971 /nfs/dbraw/zinc/66/39/71/718663971.db2.gz CWKKBQIBJOSKDD-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000981361290 718663972 /nfs/dbraw/zinc/66/39/72/718663972.db2.gz CWKKBQIBJOSKDD-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000981361290 718663974 /nfs/dbraw/zinc/66/39/74/718663974.db2.gz CWKKBQIBJOSKDD-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000981365653 718665958 /nfs/dbraw/zinc/66/59/58/718665958.db2.gz TUXQVXRANBEGNY-FQEVSTJZSA-N 2 1 343.515 2.509 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000981365653 718665961 /nfs/dbraw/zinc/66/59/61/718665961.db2.gz TUXQVXRANBEGNY-FQEVSTJZSA-N 2 1 343.515 2.509 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000981365653 718665963 /nfs/dbraw/zinc/66/59/63/718665963.db2.gz TUXQVXRANBEGNY-FQEVSTJZSA-N 2 1 343.515 2.509 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000981365653 718665964 /nfs/dbraw/zinc/66/59/64/718665964.db2.gz TUXQVXRANBEGNY-FQEVSTJZSA-N 2 1 343.515 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454291 718897497 /nfs/dbraw/zinc/89/74/97/718897497.db2.gz WZNNVPQUGOHUQP-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486747 719002092 /nfs/dbraw/zinc/00/20/92/719002092.db2.gz WJTXJRAMTCRVMH-HZPDHXFCSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029921202 724554532 /nfs/dbraw/zinc/55/45/32/724554532.db2.gz SIEALBJNMRUTBD-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029921202 724554536 /nfs/dbraw/zinc/55/45/36/724554536.db2.gz SIEALBJNMRUTBD-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029921202 724554537 /nfs/dbraw/zinc/55/45/37/724554537.db2.gz SIEALBJNMRUTBD-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779973 719038385 /nfs/dbraw/zinc/03/83/85/719038385.db2.gz HEALYBDJJOCFLA-MRXNPFEDSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981779973 719038388 /nfs/dbraw/zinc/03/83/88/719038388.db2.gz HEALYBDJJOCFLA-MRXNPFEDSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981811918 719071580 /nfs/dbraw/zinc/07/15/80/719071580.db2.gz BNEYWZCGNJXYIL-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981811918 719071586 /nfs/dbraw/zinc/07/15/86/719071586.db2.gz BNEYWZCGNJXYIL-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981811918 719071591 /nfs/dbraw/zinc/07/15/91/719071591.db2.gz BNEYWZCGNJXYIL-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981843224 719121440 /nfs/dbraw/zinc/12/14/40/719121440.db2.gz XBFUEZFIOHEHGN-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000981843224 719121441 /nfs/dbraw/zinc/12/14/41/719121441.db2.gz XBFUEZFIOHEHGN-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981843224 719121443 /nfs/dbraw/zinc/12/14/43/719121443.db2.gz XBFUEZFIOHEHGN-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981864713 719142736 /nfs/dbraw/zinc/14/27/36/719142736.db2.gz HDSPKMFFEBOSCN-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864713 719142737 /nfs/dbraw/zinc/14/27/37/719142737.db2.gz HDSPKMFFEBOSCN-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864713 719142738 /nfs/dbraw/zinc/14/27/38/719142738.db2.gz HDSPKMFFEBOSCN-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583855 719165502 /nfs/dbraw/zinc/16/55/02/719165502.db2.gz CBGCYURIUPMXOX-PKOBYXMFSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630999 719258933 /nfs/dbraw/zinc/25/89/33/719258933.db2.gz YCRLWTGKXMZMBU-DLBZAZTESA-N 2 1 345.487 2.585 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000328126324 719287208 /nfs/dbraw/zinc/28/72/08/719287208.db2.gz UEPLWGCOJHRWFX-KRWDZBQOSA-N 2 1 335.289 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000328126324 719287213 /nfs/dbraw/zinc/28/72/13/719287213.db2.gz UEPLWGCOJHRWFX-KRWDZBQOSA-N 2 1 335.289 2.851 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052543 719507383 /nfs/dbraw/zinc/50/73/83/719507383.db2.gz OYODVOZJFBJZNB-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062736 719516800 /nfs/dbraw/zinc/51/68/00/719516800.db2.gz CZZHUOYCHKZQER-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062736 719516795 /nfs/dbraw/zinc/51/67/95/719516795.db2.gz CZZHUOYCHKZQER-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062736 719516796 /nfs/dbraw/zinc/51/67/96/719516796.db2.gz CZZHUOYCHKZQER-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107975 719565898 /nfs/dbraw/zinc/56/58/98/719565898.db2.gz YLLZGKUBNCASGY-UHFFFAOYSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110459 719568420 /nfs/dbraw/zinc/56/84/20/719568420.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110459 719568423 /nfs/dbraw/zinc/56/84/23/719568423.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110459 719568427 /nfs/dbraw/zinc/56/84/27/719568427.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115794 719573023 /nfs/dbraw/zinc/57/30/23/719573023.db2.gz BMFRWFROVBQINI-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116257 719573823 /nfs/dbraw/zinc/57/38/23/719573823.db2.gz IMMLDRXQPWVNCC-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163642 719608620 /nfs/dbraw/zinc/60/86/20/719608620.db2.gz LPDBBHZYEUXQOS-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279608 719787854 /nfs/dbraw/zinc/78/78/54/719787854.db2.gz AYUNSYHUEVTZAW-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279608 719787858 /nfs/dbraw/zinc/78/78/58/719787858.db2.gz AYUNSYHUEVTZAW-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279608 719787860 /nfs/dbraw/zinc/78/78/60/719787860.db2.gz AYUNSYHUEVTZAW-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292655 719822095 /nfs/dbraw/zinc/82/20/95/719822095.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292655 719822099 /nfs/dbraw/zinc/82/20/99/719822099.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292655 719822105 /nfs/dbraw/zinc/82/21/05/719822105.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295389 719836301 /nfs/dbraw/zinc/83/63/01/719836301.db2.gz SFIYFQNGFYIMSM-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295389 719836307 /nfs/dbraw/zinc/83/63/07/719836307.db2.gz SFIYFQNGFYIMSM-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295389 719836311 /nfs/dbraw/zinc/83/63/11/719836311.db2.gz SFIYFQNGFYIMSM-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300094 719849362 /nfs/dbraw/zinc/84/93/62/719849362.db2.gz SEAHEZNZOCEQGU-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300094 719849369 /nfs/dbraw/zinc/84/93/69/719849369.db2.gz SEAHEZNZOCEQGU-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300094 719849377 /nfs/dbraw/zinc/84/93/77/719849377.db2.gz SEAHEZNZOCEQGU-RLLQIKCJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306478 719875302 /nfs/dbraw/zinc/87/53/02/719875302.db2.gz RYYMAVJFJPIIGN-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@@]2(C)C1 ZINC000982306478 719875308 /nfs/dbraw/zinc/87/53/08/719875308.db2.gz RYYMAVJFJPIIGN-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@]2(C)C1 ZINC000982306478 719875311 /nfs/dbraw/zinc/87/53/11/719875311.db2.gz RYYMAVJFJPIIGN-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333030 719921295 /nfs/dbraw/zinc/92/12/95/719921295.db2.gz QISHDUMYTVRNBE-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333030 719921298 /nfs/dbraw/zinc/92/12/98/719921298.db2.gz QISHDUMYTVRNBE-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333030 719921303 /nfs/dbraw/zinc/92/13/03/719921303.db2.gz QISHDUMYTVRNBE-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]12 ZINC001026370763 720414666 /nfs/dbraw/zinc/41/46/66/720414666.db2.gz YDXXKGYBSCVJPH-FGTMMUONSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026559128 720751191 /nfs/dbraw/zinc/75/11/91/720751191.db2.gz BIFQKJCVQGVTAJ-RJYAGPCLSA-N 2 1 339.499 2.792 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959923 /nfs/dbraw/zinc/95/99/23/720959923.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959925 /nfs/dbraw/zinc/95/99/25/720959925.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959927 /nfs/dbraw/zinc/95/99/27/720959927.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594166 721231985 /nfs/dbraw/zinc/23/19/85/721231985.db2.gz DBKAJWUWZBTQRK-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594166 721231990 /nfs/dbraw/zinc/23/19/90/721231990.db2.gz DBKAJWUWZBTQRK-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594166 721231994 /nfs/dbraw/zinc/23/19/94/721231994.db2.gz DBKAJWUWZBTQRK-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650320 721239985 /nfs/dbraw/zinc/23/99/85/721239985.db2.gz IPXOMKIQRZMMIR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650320 721239986 /nfs/dbraw/zinc/23/99/86/721239986.db2.gz IPXOMKIQRZMMIR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650320 721239990 /nfs/dbraw/zinc/23/99/90/721239990.db2.gz IPXOMKIQRZMMIR-ZWKOTPCHSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677657 721270516 /nfs/dbraw/zinc/27/05/16/721270516.db2.gz FTWUFXFRTGOPQD-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677657 721270521 /nfs/dbraw/zinc/27/05/21/721270521.db2.gz FTWUFXFRTGOPQD-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831222 721303382 /nfs/dbraw/zinc/30/33/82/721303382.db2.gz JIRAOYGRQQKOOE-QGZVKYPTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834004 721308906 /nfs/dbraw/zinc/30/89/06/721308906.db2.gz UQHFJAJKBOWTNP-SESVDKBCSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834004 721308909 /nfs/dbraw/zinc/30/89/09/721308909.db2.gz UQHFJAJKBOWTNP-SESVDKBCSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974742442 721392099 /nfs/dbraw/zinc/39/20/99/721392099.db2.gz PNNWTIMMWIWCQF-KRWDZBQOSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)CN1C[C@H](NC(=O)c2ccc3cncn3c2)C(C)(C)C1 ZINC000974827072 721462681 /nfs/dbraw/zinc/46/26/81/721462681.db2.gz JQHNWNDWKOTQHP-HNNXBMFYSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985695568 724807728 /nfs/dbraw/zinc/80/77/28/724807728.db2.gz ZZJYSPVDVULBHD-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985695568 724807733 /nfs/dbraw/zinc/80/77/33/724807733.db2.gz ZZJYSPVDVULBHD-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870940 722063276 /nfs/dbraw/zinc/06/32/76/722063276.db2.gz YWLVQJMNCWYLBN-GOSISDBHSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921347 722097845 /nfs/dbraw/zinc/09/78/45/722097845.db2.gz QHWLKIWAGHMWCT-GOSISDBHSA-N 2 1 333.520 2.513 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040821427 728771552 /nfs/dbraw/zinc/77/15/52/728771552.db2.gz GECNMHOSSXKPFJ-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801463 723338823 /nfs/dbraw/zinc/33/88/23/723338823.db2.gz NHQBRJYAXLPVIE-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP CCNC(NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)=[NH+]CC ZINC000303376613 724377937 /nfs/dbraw/zinc/37/79/37/724377937.db2.gz OUFYLBPNJUNRQA-KRWDZBQOSA-N 2 1 332.492 2.797 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136561 725554263 /nfs/dbraw/zinc/55/42/63/725554263.db2.gz KERDFAZABAZJLG-PNYFIKQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136561 725554265 /nfs/dbraw/zinc/55/42/65/725554265.db2.gz KERDFAZABAZJLG-PNYFIKQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136561 725554266 /nfs/dbraw/zinc/55/42/66/725554266.db2.gz KERDFAZABAZJLG-PNYFIKQUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4nc[nH]c43)CCC[C@@H]12 ZINC000992165385 725578606 /nfs/dbraw/zinc/57/86/06/725578606.db2.gz DXJFFKMVOYPONN-ZSZQSSIHSA-N 2 1 328.460 2.519 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169968 725585282 /nfs/dbraw/zinc/58/52/82/725585282.db2.gz HJKBYHCFPLFINA-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169968 725585284 /nfs/dbraw/zinc/58/52/84/725585284.db2.gz HJKBYHCFPLFINA-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169968 725585286 /nfs/dbraw/zinc/58/52/86/725585286.db2.gz HJKBYHCFPLFINA-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171906 725587304 /nfs/dbraw/zinc/58/73/04/725587304.db2.gz ZCYXUBPROCQXJC-TZIWHRDSSA-N 2 1 341.499 2.704 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723455 725694666 /nfs/dbraw/zinc/69/46/66/725694666.db2.gz JRNSKUYDVLMGOX-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992366607 725749505 /nfs/dbraw/zinc/74/95/05/725749505.db2.gz GDNOBKCEFOOGHG-QUCCMNQESA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992366608 725749628 /nfs/dbraw/zinc/74/96/28/725749628.db2.gz GDNOBKCEFOOGHG-UYAOXDASSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992819994 726267866 /nfs/dbraw/zinc/26/78/66/726267866.db2.gz GPOLIRXTVFAXTO-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992819989 726268062 /nfs/dbraw/zinc/26/80/62/726268062.db2.gz GPOLIRXTVFAXTO-FGTMMUONSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707361 726896900 /nfs/dbraw/zinc/89/69/00/726896900.db2.gz SEWSBGYUTSXLAK-FQEVSTJZSA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391591 727193844 /nfs/dbraw/zinc/19/38/44/727193844.db2.gz GWDOUFQDWGEQOT-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391591 727193845 /nfs/dbraw/zinc/19/38/45/727193845.db2.gz GWDOUFQDWGEQOT-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391583 727193940 /nfs/dbraw/zinc/19/39/40/727193940.db2.gz GWDOUFQDWGEQOT-GOEBONIOSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391583 727193942 /nfs/dbraw/zinc/19/39/42/727193942.db2.gz GWDOUFQDWGEQOT-GOEBONIOSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498047 727283721 /nfs/dbraw/zinc/28/37/21/727283721.db2.gz DKUIFVYETCYPLZ-CRAIPNDOSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480555 727288659 /nfs/dbraw/zinc/28/86/59/727288659.db2.gz PNMYJCWKHZEQTB-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994474021 727764004 /nfs/dbraw/zinc/76/40/04/727764004.db2.gz OYCATADSVIVCEB-SJLPKXTDSA-N 2 1 345.487 2.727 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994474021 727764006 /nfs/dbraw/zinc/76/40/06/727764006.db2.gz OYCATADSVIVCEB-SJLPKXTDSA-N 2 1 345.487 2.727 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994474018 727764030 /nfs/dbraw/zinc/76/40/30/727764030.db2.gz OYCATADSVIVCEB-FUHWJXTLSA-N 2 1 345.487 2.727 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994474018 727764032 /nfs/dbraw/zinc/76/40/32/727764032.db2.gz OYCATADSVIVCEB-FUHWJXTLSA-N 2 1 345.487 2.727 20 30 EFEDMP C=CCCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329805 727899702 /nfs/dbraw/zinc/89/97/02/727899702.db2.gz AGDXLUTTWFKWIM-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329805 727899706 /nfs/dbraw/zinc/89/97/06/727899706.db2.gz AGDXLUTTWFKWIM-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329805 727899710 /nfs/dbraw/zinc/89/97/10/727899710.db2.gz AGDXLUTTWFKWIM-QGZVFWFLSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102490 728297686 /nfs/dbraw/zinc/29/76/86/728297686.db2.gz ZNVMWIKUAKEJEQ-GOEBONIOSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947952 728304790 /nfs/dbraw/zinc/30/47/90/728304790.db2.gz JORYXVIEXTZOEO-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829073 728528505 /nfs/dbraw/zinc/52/85/05/728528505.db2.gz CQMSKVGSGGNQHK-RTBURBONSA-N 2 1 333.520 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829546 728529605 /nfs/dbraw/zinc/52/96/05/728529605.db2.gz PQKQPSSWDZLAPJ-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829546 728529607 /nfs/dbraw/zinc/52/96/07/728529607.db2.gz PQKQPSSWDZLAPJ-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829546 728529609 /nfs/dbraw/zinc/52/96/09/728529609.db2.gz PQKQPSSWDZLAPJ-MOPGFXCFSA-N 2 1 333.520 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881638 729765329 /nfs/dbraw/zinc/76/53/29/729765329.db2.gz GBCZCACVEQXHQU-NVXWUHKLSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881638 729765330 /nfs/dbraw/zinc/76/53/30/729765330.db2.gz GBCZCACVEQXHQU-NVXWUHKLSA-N 2 1 341.927 2.828 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000180814888 729769358 /nfs/dbraw/zinc/76/93/58/729769358.db2.gz JHGOVGMRGASUFS-DJIMGWMZSA-N 2 1 331.460 2.948 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000180814888 729769359 /nfs/dbraw/zinc/76/93/59/729769359.db2.gz JHGOVGMRGASUFS-DJIMGWMZSA-N 2 1 331.460 2.948 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001569910972 1085750455 /nfs/dbraw/zinc/75/04/55/1085750455.db2.gz YHXYVBNXHOYVNJ-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001569910972 1085750466 /nfs/dbraw/zinc/75/04/66/1085750466.db2.gz YHXYVBNXHOYVNJ-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001569910972 1085750475 /nfs/dbraw/zinc/75/04/75/1085750475.db2.gz YHXYVBNXHOYVNJ-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC001574757576 1088073028 /nfs/dbraw/zinc/07/30/28/1088073028.db2.gz URLGMCMQSDVMDV-VQIMIIECSA-N 2 1 327.472 2.836 20 30 EFEDMP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574835733 1088114848 /nfs/dbraw/zinc/11/48/48/1088114848.db2.gz FLBGZMZBUCHIKO-RBUKOAKNSA-N 2 1 332.492 2.611 20 30 EFEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001577526858 1090036072 /nfs/dbraw/zinc/03/60/72/1090036072.db2.gz HHNGJNVIUPWGCJ-SFTDATJTSA-N 2 1 337.467 2.701 20 30 EFEDMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC001579738556 1090675766 /nfs/dbraw/zinc/67/57/66/1090675766.db2.gz QWSIJCFDKAPBGA-JENIJYKNSA-N 2 1 340.471 2.541 20 30 EFEDMP Cc1sc(NC(=O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c(C#N)c1C ZINC001579934653 1090726952 /nfs/dbraw/zinc/72/69/52/1090726952.db2.gz ZHPZFTOBFHVNOS-UHFFFAOYSA-N 2 1 348.516 2.872 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448194 1092754088 /nfs/dbraw/zinc/75/40/88/1092754088.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448194 1092754093 /nfs/dbraw/zinc/75/40/93/1092754093.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448194 1092754101 /nfs/dbraw/zinc/75/41/01/1092754101.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448074 1092755779 /nfs/dbraw/zinc/75/57/79/1092755779.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448074 1092755788 /nfs/dbraw/zinc/75/57/88/1092755788.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448074 1092755794 /nfs/dbraw/zinc/75/57/94/1092755794.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449683 1092864411 /nfs/dbraw/zinc/86/44/11/1092864411.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449683 1092864419 /nfs/dbraw/zinc/86/44/19/1092864419.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449683 1092864429 /nfs/dbraw/zinc/86/44/29/1092864429.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454147 1093042102 /nfs/dbraw/zinc/04/21/02/1093042102.db2.gz MBULYVSYJFHCDO-XLIONFOSSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454148 1093042368 /nfs/dbraw/zinc/04/23/68/1093042368.db2.gz MBULYVSYJFHCDO-YLJYHZDGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452374 1093291441 /nfs/dbraw/zinc/29/14/41/1093291441.db2.gz JMHNYTKJQRGJPS-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461323 1093315175 /nfs/dbraw/zinc/31/51/75/1093315175.db2.gz CRIPNYQTSGJLSC-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461323 1093315183 /nfs/dbraw/zinc/31/51/83/1093315183.db2.gz CRIPNYQTSGJLSC-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461323 1093315188 /nfs/dbraw/zinc/31/51/88/1093315188.db2.gz CRIPNYQTSGJLSC-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461474 1093321548 /nfs/dbraw/zinc/32/15/48/1093321548.db2.gz IEOLDDVWISZFLS-SFHVURJKSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461474 1093321550 /nfs/dbraw/zinc/32/15/50/1093321550.db2.gz IEOLDDVWISZFLS-SFHVURJKSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@@H]21 ZINC001087293159 1095024152 /nfs/dbraw/zinc/02/41/52/1095024152.db2.gz ZGEFLMKLIKDHRE-ZTFGCOKTSA-N 2 1 338.455 2.968 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087298040 1095094188 /nfs/dbraw/zinc/09/41/88/1095094188.db2.gz YNCLYUYQKIFBCK-BHIYHBOVSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087298040 1095094201 /nfs/dbraw/zinc/09/42/01/1095094201.db2.gz YNCLYUYQKIFBCK-BHIYHBOVSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087298041 1095094434 /nfs/dbraw/zinc/09/44/34/1095094434.db2.gz YNCLYUYQKIFBCK-NEWSRXKRSA-N 2 1 344.503 2.763 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087298041 1095094447 /nfs/dbraw/zinc/09/44/47/1095094447.db2.gz YNCLYUYQKIFBCK-NEWSRXKRSA-N 2 1 344.503 2.763 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087302526 1095148336 /nfs/dbraw/zinc/14/83/36/1095148336.db2.gz VIEFXUQVUPWKLA-FGTMMUONSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825672 1095212524 /nfs/dbraw/zinc/21/25/24/1095212524.db2.gz SKUOXMRIHOTPNH-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309218 1095233702 /nfs/dbraw/zinc/23/37/02/1095233702.db2.gz CPQXCGSAULVGDF-MISYRCLQSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309220 1095234360 /nfs/dbraw/zinc/23/43/60/1095234360.db2.gz CPQXCGSAULVGDF-YZGWKJHDSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087315062 1095284141 /nfs/dbraw/zinc/28/41/41/1095284141.db2.gz VTZPSXQRXFFVGD-SQNIBIBYSA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167833969 1095286427 /nfs/dbraw/zinc/28/64/27/1095286427.db2.gz GUJCKOUFKDNAQK-DLBZAZTESA-N 2 1 325.497 2.874 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914391 1095618196 /nfs/dbraw/zinc/61/81/96/1095618196.db2.gz JNXPDAGEGPJYON-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957183 1095778567 /nfs/dbraw/zinc/77/85/67/1095778567.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957183 1095778572 /nfs/dbraw/zinc/77/85/72/1095778572.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957183 1095778581 /nfs/dbraw/zinc/77/85/81/1095778581.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 2 1 339.499 2.699 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001482224126 1098183843 /nfs/dbraw/zinc/18/38/43/1098183843.db2.gz XFUAYBZZCANXPH-INIZCTEOSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066908 1099547737 /nfs/dbraw/zinc/54/77/37/1099547737.db2.gz GDBWYTMPGDBNDY-DJIMGWMZSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097423 1099683208 /nfs/dbraw/zinc/68/32/08/1099683208.db2.gz PRSRCJDMAUZSQU-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097423 1099683211 /nfs/dbraw/zinc/68/32/11/1099683211.db2.gz PRSRCJDMAUZSQU-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494501 1100028505 /nfs/dbraw/zinc/02/85/05/1100028505.db2.gz RVNXWWDGFGMBSS-WWDZGPRUSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793849 1100042582 /nfs/dbraw/zinc/04/25/82/1100042582.db2.gz URLLCGKTDIDDOK-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793849 1100042593 /nfs/dbraw/zinc/04/25/93/1100042593.db2.gz URLLCGKTDIDDOK-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793849 1100042601 /nfs/dbraw/zinc/04/26/01/1100042601.db2.gz URLLCGKTDIDDOK-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811721 1100502053 /nfs/dbraw/zinc/50/20/53/1100502053.db2.gz BLJLJDDLRNMXSQ-YESZJQIVSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811721 1100502062 /nfs/dbraw/zinc/50/20/62/1100502062.db2.gz BLJLJDDLRNMXSQ-YESZJQIVSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395607 1100554792 /nfs/dbraw/zinc/55/47/92/1100554792.db2.gz BIBSUNKEFKXBSC-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395619 1100556509 /nfs/dbraw/zinc/55/65/09/1100556509.db2.gz BMBGYPNSNICTIS-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105395697 1100558095 /nfs/dbraw/zinc/55/80/95/1100558095.db2.gz DGUTYYZSCGQHPA-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395697 1100558099 /nfs/dbraw/zinc/55/80/99/1100558099.db2.gz DGUTYYZSCGQHPA-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395697 1100558107 /nfs/dbraw/zinc/55/81/07/1100558107.db2.gz DGUTYYZSCGQHPA-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395687 1100558328 /nfs/dbraw/zinc/55/83/28/1100558328.db2.gz CZHVSLIDWLGMGX-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396069 1100572550 /nfs/dbraw/zinc/57/25/50/1100572550.db2.gz IAYZLLIMQPLPLI-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396069 1100572557 /nfs/dbraw/zinc/57/25/57/1100572557.db2.gz IAYZLLIMQPLPLI-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396069 1100572566 /nfs/dbraw/zinc/57/25/66/1100572566.db2.gz IAYZLLIMQPLPLI-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396828 1100611087 /nfs/dbraw/zinc/61/10/87/1100611087.db2.gz WZNCHOATILLZMB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396828 1100611091 /nfs/dbraw/zinc/61/10/91/1100611091.db2.gz WZNCHOATILLZMB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396828 1100611095 /nfs/dbraw/zinc/61/10/95/1100611095.db2.gz WZNCHOATILLZMB-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699122 1100678959 /nfs/dbraw/zinc/67/89/59/1100678959.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 2 1 345.531 2.776 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699122 1100678961 /nfs/dbraw/zinc/67/89/61/1100678961.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 2 1 345.531 2.776 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699122 1100678962 /nfs/dbraw/zinc/67/89/62/1100678962.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 2 1 345.531 2.776 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701060 /nfs/dbraw/zinc/70/10/60/1100701060.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701066 /nfs/dbraw/zinc/70/10/66/1100701066.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701076 /nfs/dbraw/zinc/70/10/76/1100701076.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726298 1100703837 /nfs/dbraw/zinc/70/38/37/1100703837.db2.gz ZNSGDYQMARODRV-YTQUADARSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726298 1100703841 /nfs/dbraw/zinc/70/38/41/1100703841.db2.gz ZNSGDYQMARODRV-YTQUADARSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762630 1100739486 /nfs/dbraw/zinc/73/94/86/1100739486.db2.gz FBDWJEABYSEDKA-RBUKOAKNSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845028 1100866292 /nfs/dbraw/zinc/86/62/92/1100866292.db2.gz BSUQUFPLONQXJV-DLBZAZTESA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021167 1101208294 /nfs/dbraw/zinc/20/82/94/1101208294.db2.gz XUJPOXWGTZQFMN-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021167 1101208299 /nfs/dbraw/zinc/20/82/99/1101208299.db2.gz XUJPOXWGTZQFMN-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021167 1101208306 /nfs/dbraw/zinc/20/83/06/1101208306.db2.gz XUJPOXWGTZQFMN-MSOLQXFVSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385403 1101388244 /nfs/dbraw/zinc/38/82/44/1101388244.db2.gz BMEPTDXFEMMERA-INIZCTEOSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083724 1101428809 /nfs/dbraw/zinc/42/88/09/1101428809.db2.gz FZCNBVWFVLAQMB-AEFFLSMTSA-N 2 1 345.487 2.701 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312501 1101587866 /nfs/dbraw/zinc/58/78/66/1101587866.db2.gz GAORYZFNAPCSAZ-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129860 1101623114 /nfs/dbraw/zinc/62/31/14/1101623114.db2.gz KGCGFRHHTNTXRW-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232737 1102100685 /nfs/dbraw/zinc/10/06/85/1102100685.db2.gz OMLWHFAGUBAFNJ-SFHVURJKSA-N 2 1 335.536 2.951 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236274 1102112501 /nfs/dbraw/zinc/11/25/01/1102112501.db2.gz JEZJFUIWPGQJKK-ROUUACIJSA-N 2 1 335.536 2.807 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378774 1102500127 /nfs/dbraw/zinc/50/01/27/1102500127.db2.gz FYNYAIZSIAUCRD-QRVBRYPASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379066 1102503340 /nfs/dbraw/zinc/50/33/40/1102503340.db2.gz WFVHEIYLCRKZAC-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291585 1102856942 /nfs/dbraw/zinc/85/69/42/1102856942.db2.gz PJFWMJSKUBWJSZ-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324976 1102924344 /nfs/dbraw/zinc/92/43/44/1102924344.db2.gz DYRHHLSCFOSKDM-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324975 1102924375 /nfs/dbraw/zinc/92/43/75/1102924375.db2.gz DYRHHLSCFOSKDM-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327672 1102934755 /nfs/dbraw/zinc/93/47/55/1102934755.db2.gz TYQSQKGKUJUCEK-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327768 1102935481 /nfs/dbraw/zinc/93/54/81/1102935481.db2.gz WERDEBMIBIYLRX-OAHLLOKOSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329901 1102942117 /nfs/dbraw/zinc/94/21/17/1102942117.db2.gz KAVHGDZSZVDRBG-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001409455561 1103090320 /nfs/dbraw/zinc/09/03/20/1103090320.db2.gz SPPVSGUCKDASII-UHFFFAOYSA-N 2 1 329.916 2.830 20 30 EFEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367240 1103194089 /nfs/dbraw/zinc/19/40/89/1103194089.db2.gz FRRATEZCBRFKIA-UYAOXDASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112196319 1103361611 /nfs/dbraw/zinc/36/16/11/1103361611.db2.gz CDEJLUHMGQLRLE-HUUCEWRRSA-N 2 1 349.441 2.663 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991065348 1103402402 /nfs/dbraw/zinc/40/24/02/1103402402.db2.gz FKRCHUJTAUCLEG-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991065348 1103402408 /nfs/dbraw/zinc/40/24/08/1103402408.db2.gz FKRCHUJTAUCLEG-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991065348 1103402415 /nfs/dbraw/zinc/40/24/15/1103402415.db2.gz FKRCHUJTAUCLEG-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065724 1103420426 /nfs/dbraw/zinc/42/04/26/1103420426.db2.gz GINWFEMLNBCPBL-ABSDTBQOSA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065724 1103420430 /nfs/dbraw/zinc/42/04/30/1103420430.db2.gz GINWFEMLNBCPBL-ABSDTBQOSA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065738 1103422680 /nfs/dbraw/zinc/42/26/80/1103422680.db2.gz GINWFEMLNBCPBL-MBOZVWFJSA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065738 1103422690 /nfs/dbraw/zinc/42/26/90/1103422690.db2.gz GINWFEMLNBCPBL-MBOZVWFJSA-N 2 1 342.487 2.840 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991066671 1103454980 /nfs/dbraw/zinc/45/49/80/1103454980.db2.gz JQTRDJWOZINXBY-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991066671 1103454987 /nfs/dbraw/zinc/45/49/87/1103454987.db2.gz JQTRDJWOZINXBY-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991066671 1103454991 /nfs/dbraw/zinc/45/49/91/1103454991.db2.gz JQTRDJWOZINXBY-NLWGTHIKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088430637 1103580676 /nfs/dbraw/zinc/58/06/76/1103580676.db2.gz UVWHSKBKFQWWJW-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881180 1103988137 /nfs/dbraw/zinc/98/81/37/1103988137.db2.gz HMNRNRWTCKFCMB-GVDBMIGSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881180 1103988138 /nfs/dbraw/zinc/98/81/38/1103988138.db2.gz HMNRNRWTCKFCMB-GVDBMIGSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881180 1103988142 /nfs/dbraw/zinc/98/81/42/1103988142.db2.gz HMNRNRWTCKFCMB-GVDBMIGSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881180 1103988146 /nfs/dbraw/zinc/98/81/46/1103988146.db2.gz HMNRNRWTCKFCMB-GVDBMIGSSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230255 1105683409 /nfs/dbraw/zinc/68/34/09/1105683409.db2.gz ANPDAOJVFKGGMX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230255 1105683414 /nfs/dbraw/zinc/68/34/14/1105683414.db2.gz ANPDAOJVFKGGMX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230255 1105683417 /nfs/dbraw/zinc/68/34/17/1105683417.db2.gz ANPDAOJVFKGGMX-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230281 1105687674 /nfs/dbraw/zinc/68/76/74/1105687674.db2.gz ANPDAOJVFKGGMX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230281 1105687676 /nfs/dbraw/zinc/68/76/76/1105687676.db2.gz ANPDAOJVFKGGMX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230281 1105687677 /nfs/dbraw/zinc/68/76/77/1105687677.db2.gz ANPDAOJVFKGGMX-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549204 1105919712 /nfs/dbraw/zinc/91/97/12/1105919712.db2.gz DGBYLYRKVNCVRZ-SFHVURJKSA-N 2 1 344.503 2.909 20 30 EFEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544639 1105922402 /nfs/dbraw/zinc/92/24/02/1105922402.db2.gz OYKCUYOOGRQIQY-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556264 1105930672 /nfs/dbraw/zinc/93/06/72/1105930672.db2.gz DDWHSDSMEJJGAF-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563161 1105941985 /nfs/dbraw/zinc/94/19/85/1105941985.db2.gz GADLRHLQDUMRRJ-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575277 1105962428 /nfs/dbraw/zinc/96/24/28/1105962428.db2.gz XDGBAUPTBFGSHO-IBGZPJMESA-N 2 1 347.547 2.883 20 30 EFEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576553 1105964378 /nfs/dbraw/zinc/96/43/78/1105964378.db2.gz HFJOZZWOAUSBSI-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577510 1105966093 /nfs/dbraw/zinc/96/60/93/1105966093.db2.gz WGGOTBIGDLCEES-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCC1 ZINC001105577779 1105967038 /nfs/dbraw/zinc/96/70/38/1105967038.db2.gz ZZCIZNOBVIIPAU-NQIIRXRSSA-N 2 1 345.531 2.799 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513388 1106396451 /nfs/dbraw/zinc/39/64/51/1106396451.db2.gz CZMJKOSTZYKELJ-GJZGRUSLSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168318789 1106645959 /nfs/dbraw/zinc/64/59/59/1106645959.db2.gz GNWXPVYQXYKGIP-AFMYVXGZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243811 1106723124 /nfs/dbraw/zinc/72/31/24/1106723124.db2.gz BVMIRSLUWWUJGG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243811 1106723130 /nfs/dbraw/zinc/72/31/30/1106723130.db2.gz BVMIRSLUWWUJGG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243811 1106723135 /nfs/dbraw/zinc/72/31/35/1106723135.db2.gz BVMIRSLUWWUJGG-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750489 /nfs/dbraw/zinc/75/04/89/1106750489.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750502 /nfs/dbraw/zinc/75/05/02/1106750502.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750513 /nfs/dbraw/zinc/75/05/13/1106750513.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333024 /nfs/dbraw/zinc/33/30/24/1108333024.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333033 /nfs/dbraw/zinc/33/30/33/1108333033.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333048 /nfs/dbraw/zinc/33/30/48/1108333048.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040265287 1108409572 /nfs/dbraw/zinc/40/95/72/1108409572.db2.gz XXBRDNHPJNNGQM-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265287 1108409579 /nfs/dbraw/zinc/40/95/79/1108409579.db2.gz XXBRDNHPJNNGQM-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265287 1108409584 /nfs/dbraw/zinc/40/95/84/1108409584.db2.gz XXBRDNHPJNNGQM-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265287 1108409587 /nfs/dbraw/zinc/40/95/87/1108409587.db2.gz XXBRDNHPJNNGQM-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040265289 1108409748 /nfs/dbraw/zinc/40/97/48/1108409748.db2.gz XXBRDNHPJNNGQM-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265289 1108409756 /nfs/dbraw/zinc/40/97/56/1108409756.db2.gz XXBRDNHPJNNGQM-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265289 1108409765 /nfs/dbraw/zinc/40/97/65/1108409765.db2.gz XXBRDNHPJNNGQM-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265289 1108409773 /nfs/dbraw/zinc/40/97/73/1108409773.db2.gz XXBRDNHPJNNGQM-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905095111 1108425140 /nfs/dbraw/zinc/42/51/40/1108425140.db2.gz IFYABEDVZVXQMR-FQEVSTJZSA-N 2 1 332.488 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762042 1109220777 /nfs/dbraw/zinc/22/07/77/1109220777.db2.gz LEILGAPGUNJIFL-LHHMISFZSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762042 1109220780 /nfs/dbraw/zinc/22/07/80/1109220780.db2.gz LEILGAPGUNJIFL-LHHMISFZSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762042 1109220784 /nfs/dbraw/zinc/22/07/84/1109220784.db2.gz LEILGAPGUNJIFL-LHHMISFZSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990762042 1109220789 /nfs/dbraw/zinc/22/07/89/1109220789.db2.gz LEILGAPGUNJIFL-LHHMISFZSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076366016 1109790957 /nfs/dbraw/zinc/79/09/57/1109790957.db2.gz YUDGSZJHQXNIFZ-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570836 1111641609 /nfs/dbraw/zinc/64/16/09/1111641609.db2.gz ATLMASDTNRLMTN-CEXWTWQISA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240940 1111682380 /nfs/dbraw/zinc/68/23/80/1111682380.db2.gz WIIMUBWAKDYTGA-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240940 1111682382 /nfs/dbraw/zinc/68/23/82/1111682382.db2.gz WIIMUBWAKDYTGA-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240940 1111682384 /nfs/dbraw/zinc/68/23/84/1111682384.db2.gz WIIMUBWAKDYTGA-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665521 1111708171 /nfs/dbraw/zinc/70/81/71/1111708171.db2.gz ZSAIECIWWXCIOR-CEXWTWQISA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727346 1111766984 /nfs/dbraw/zinc/76/69/84/1111766984.db2.gz JYGRLIAQAJZVFJ-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729619 1111771463 /nfs/dbraw/zinc/77/14/63/1111771463.db2.gz VKLYKZKFZXKHNL-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869199 1111932782 /nfs/dbraw/zinc/93/27/82/1111932782.db2.gz WFXJWCWVBMTLQE-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203454426 1111966333 /nfs/dbraw/zinc/96/63/33/1111966333.db2.gz ZLBVTOHQRRYTCM-JKSUJKDBSA-N 2 1 330.476 2.600 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406955 1112078638 /nfs/dbraw/zinc/07/86/38/1112078638.db2.gz UITOQVSMWUHDMJ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406955 1112078643 /nfs/dbraw/zinc/07/86/43/1112078643.db2.gz UITOQVSMWUHDMJ-HZPDHXFCSA-N 2 1 330.476 2.553 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407239 1112080239 /nfs/dbraw/zinc/08/02/39/1112080239.db2.gz XIIYWNFJVWZICO-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407239 1112080243 /nfs/dbraw/zinc/08/02/43/1112080243.db2.gz XIIYWNFJVWZICO-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407239 1112080246 /nfs/dbraw/zinc/08/02/46/1112080246.db2.gz XIIYWNFJVWZICO-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089410958 1112085232 /nfs/dbraw/zinc/08/52/32/1112085232.db2.gz YBBMKJOJNYXYCU-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089410958 1112085234 /nfs/dbraw/zinc/08/52/34/1112085234.db2.gz YBBMKJOJNYXYCU-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089410958 1112085237 /nfs/dbraw/zinc/08/52/37/1112085237.db2.gz YBBMKJOJNYXYCU-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089410958 1112085241 /nfs/dbraw/zinc/08/52/41/1112085241.db2.gz YBBMKJOJNYXYCU-OALUTQOASA-N 2 1 345.531 2.657 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415764 1112091904 /nfs/dbraw/zinc/09/19/04/1112091904.db2.gz CIPUWXDLVIJIEP-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425958 1112115514 /nfs/dbraw/zinc/11/55/14/1112115514.db2.gz GHWQPWGVRBJVER-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425958 1112115517 /nfs/dbraw/zinc/11/55/17/1112115517.db2.gz GHWQPWGVRBJVER-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425958 1112115519 /nfs/dbraw/zinc/11/55/19/1112115519.db2.gz GHWQPWGVRBJVER-ROUUACIJSA-N 2 1 335.536 2.900 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430374 1112122152 /nfs/dbraw/zinc/12/21/52/1112122152.db2.gz MCCOJHIBDRGION-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439486 1112144916 /nfs/dbraw/zinc/14/49/16/1112144916.db2.gz GHBBECQKPVKQKP-INIZCTEOSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439486 1112144918 /nfs/dbraw/zinc/14/49/18/1112144918.db2.gz GHBBECQKPVKQKP-INIZCTEOSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472721 1112194169 /nfs/dbraw/zinc/19/41/69/1112194169.db2.gz NWDYYSHSTXLHRL-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472721 1112194170 /nfs/dbraw/zinc/19/41/70/1112194170.db2.gz NWDYYSHSTXLHRL-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472721 1112194172 /nfs/dbraw/zinc/19/41/72/1112194172.db2.gz NWDYYSHSTXLHRL-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472723 1112194231 /nfs/dbraw/zinc/19/42/31/1112194231.db2.gz NWDYYSHSTXLHRL-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472723 1112194234 /nfs/dbraw/zinc/19/42/34/1112194234.db2.gz NWDYYSHSTXLHRL-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472723 1112194237 /nfs/dbraw/zinc/19/42/37/1112194237.db2.gz NWDYYSHSTXLHRL-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089476564 1112199984 /nfs/dbraw/zinc/19/99/84/1112199984.db2.gz HNSLODKHFVOAFD-QGZVFWFLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221390 /nfs/dbraw/zinc/22/13/90/1112221390.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221392 /nfs/dbraw/zinc/22/13/92/1112221392.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221397 /nfs/dbraw/zinc/22/13/97/1112221397.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491436 1112226576 /nfs/dbraw/zinc/22/65/76/1112226576.db2.gz NRGCGLMSLGNNKN-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC(C)(C)C1 ZINC001089491436 1112226578 /nfs/dbraw/zinc/22/65/78/1112226578.db2.gz NRGCGLMSLGNNKN-IAGOWNOFSA-N 2 1 344.503 2.547 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506543 1112252023 /nfs/dbraw/zinc/25/20/23/1112252023.db2.gz LXHCTXMFSFAVFD-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089506543 1112252025 /nfs/dbraw/zinc/25/20/25/1112252025.db2.gz LXHCTXMFSFAVFD-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509475 1112252032 /nfs/dbraw/zinc/25/20/32/1112252032.db2.gz HRYODMHIBROPNW-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089507027 1112252639 /nfs/dbraw/zinc/25/26/39/1112252639.db2.gz MQVKPWRRCJQCKH-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089507027 1112252641 /nfs/dbraw/zinc/25/26/41/1112252641.db2.gz MQVKPWRRCJQCKH-MRXNPFEDSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537448 1112277028 /nfs/dbraw/zinc/27/70/28/1112277028.db2.gz MKEDUDBNBSPKQO-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537448 1112277029 /nfs/dbraw/zinc/27/70/29/1112277029.db2.gz MKEDUDBNBSPKQO-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537448 1112277035 /nfs/dbraw/zinc/27/70/35/1112277035.db2.gz MKEDUDBNBSPKQO-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533768 1112278979 /nfs/dbraw/zinc/27/89/79/1112278979.db2.gz JMANOMUSINQEIW-IBGZPJMESA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089538609 1112284148 /nfs/dbraw/zinc/28/41/48/1112284148.db2.gz XLCPFKOCBQWIKY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538609 1112284150 /nfs/dbraw/zinc/28/41/50/1112284150.db2.gz XLCPFKOCBQWIKY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089538609 1112284152 /nfs/dbraw/zinc/28/41/52/1112284152.db2.gz XLCPFKOCBQWIKY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561168 1112310443 /nfs/dbraw/zinc/31/04/43/1112310443.db2.gz NRFFDNLXGVZKBY-LJQANCHMSA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089643167 1112436986 /nfs/dbraw/zinc/43/69/86/1112436986.db2.gz UIYPZDIQBFNUOZ-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089643167 1112436988 /nfs/dbraw/zinc/43/69/88/1112436988.db2.gz UIYPZDIQBFNUOZ-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089643167 1112436990 /nfs/dbraw/zinc/43/69/90/1112436990.db2.gz UIYPZDIQBFNUOZ-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089643167 1112436991 /nfs/dbraw/zinc/43/69/91/1112436991.db2.gz UIYPZDIQBFNUOZ-BZUAXINKSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659039 1112589115 /nfs/dbraw/zinc/58/91/15/1112589115.db2.gz RFXJQQKZBOVASP-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663851 1112607091 /nfs/dbraw/zinc/60/70/91/1112607091.db2.gz WNBJFWMHWYUXDH-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663851 1112607092 /nfs/dbraw/zinc/60/70/92/1112607092.db2.gz WNBJFWMHWYUXDH-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663846 1112607379 /nfs/dbraw/zinc/60/73/79/1112607379.db2.gz WNBJFWMHWYUXDH-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663846 1112607381 /nfs/dbraw/zinc/60/73/81/1112607381.db2.gz WNBJFWMHWYUXDH-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705766 1112857620 /nfs/dbraw/zinc/85/76/20/1112857620.db2.gz JJBIZSRNCUQHCF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705766 1112857623 /nfs/dbraw/zinc/85/76/23/1112857623.db2.gz JJBIZSRNCUQHCF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705766 1112857627 /nfs/dbraw/zinc/85/76/27/1112857627.db2.gz JJBIZSRNCUQHCF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725487 1112958543 /nfs/dbraw/zinc/95/85/43/1112958543.db2.gz ITCCRLMWERLGMV-OAHLLOKOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725487 1112958547 /nfs/dbraw/zinc/95/85/47/1112958547.db2.gz ITCCRLMWERLGMV-OAHLLOKOSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806632 1113060828 /nfs/dbraw/zinc/06/08/28/1113060828.db2.gz RIPNZEHWZDPTAV-OKYOBFRVSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001484830218 1117748728 /nfs/dbraw/zinc/74/87/28/1117748728.db2.gz NXYXWXZUTYISNF-AZUAARDMSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089821637 1117924082 /nfs/dbraw/zinc/92/40/82/1117924082.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821637 1117924084 /nfs/dbraw/zinc/92/40/84/1117924084.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089821637 1117924086 /nfs/dbraw/zinc/92/40/86/1117924086.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517691 1118918121 /nfs/dbraw/zinc/91/81/21/1118918121.db2.gz DTYLWGWZVAUKOM-MAUKXSAKSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942528989 1118930087 /nfs/dbraw/zinc/93/00/87/1118930087.db2.gz CWIYMIIFQVOKLN-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473973 1119052133 /nfs/dbraw/zinc/05/21/33/1119052133.db2.gz NXYPNSDGHMUUJS-KRWDZBQOSA-N 2 1 332.492 2.816 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875590 1119766230 /nfs/dbraw/zinc/76/62/30/1119766230.db2.gz FBQUSAKFGMGYPL-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944044870 1119890834 /nfs/dbraw/zinc/89/08/34/1119890834.db2.gz AWKKKVLCUVRXCO-VQIMIIECSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047090 1119893749 /nfs/dbraw/zinc/89/37/49/1119893749.db2.gz NTCOTYWIPJGIAI-PXNSSMCTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039791 1120079050 /nfs/dbraw/zinc/07/90/50/1120079050.db2.gz YYNAZLFRZUYFBO-BHIYHBOVSA-N 2 1 329.488 2.550 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028593 1120518819 /nfs/dbraw/zinc/51/88/19/1120518819.db2.gz KAEHQECSCMLUQU-KDOFPFPSSA-N 2 1 349.906 2.941 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031155 1120522777 /nfs/dbraw/zinc/52/27/77/1120522777.db2.gz ZFTZAFGILOEEAM-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089884 1120560186 /nfs/dbraw/zinc/56/01/86/1120560186.db2.gz IRJVJIJWIMNDJX-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945091559 1120567545 /nfs/dbraw/zinc/56/75/45/1120567545.db2.gz OKSKPUXTEYQHTH-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000269697410 201231862 /nfs/dbraw/zinc/23/18/62/201231862.db2.gz LKCRUJOUEMGZAI-FQEVSTJZSA-N 2 1 341.499 2.909 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811361 201272623 /nfs/dbraw/zinc/27/26/23/201272623.db2.gz HTZRNYGHVDUDAP-AZUAARDMSA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811361 201272626 /nfs/dbraw/zinc/27/26/26/201272626.db2.gz HTZRNYGHVDUDAP-AZUAARDMSA-N 2 1 341.499 2.687 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277232571 201300565 /nfs/dbraw/zinc/30/05/65/201300565.db2.gz OVKOKBAXWRWKAK-KRWDZBQOSA-N 2 1 332.492 2.747 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277232571 201300568 /nfs/dbraw/zinc/30/05/68/201300568.db2.gz OVKOKBAXWRWKAK-KRWDZBQOSA-N 2 1 332.492 2.747 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277823502 201307472 /nfs/dbraw/zinc/30/74/72/201307472.db2.gz LEHXFBYOMQTFCZ-SFHVURJKSA-N 2 1 330.472 2.679 20 30 EFEDMP C=CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000276364924 201292696 /nfs/dbraw/zinc/29/26/96/201292696.db2.gz GEQALGXIDKQODB-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000276364924 201292700 /nfs/dbraw/zinc/29/27/00/201292700.db2.gz GEQALGXIDKQODB-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000276364924 201292703 /nfs/dbraw/zinc/29/27/03/201292703.db2.gz GEQALGXIDKQODB-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000195291683 240215696 /nfs/dbraw/zinc/21/56/96/240215696.db2.gz HHAWYDBHGZFRPY-KRWDZBQOSA-N 2 1 338.455 2.944 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195291369 240216089 /nfs/dbraw/zinc/21/60/89/240216089.db2.gz RGUPCIDYCMOTIB-KRWDZBQOSA-N 2 1 338.455 2.944 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249756278 240303323 /nfs/dbraw/zinc/30/33/23/240303323.db2.gz KLHQEIWCXPLTTA-FGTMMUONSA-N 2 1 343.515 2.945 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264064089 240399256 /nfs/dbraw/zinc/39/92/56/240399256.db2.gz QKMATADZALZTLY-INIZCTEOSA-N 2 1 330.432 2.683 20 30 EFEDMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000328830287 241252279 /nfs/dbraw/zinc/25/22/79/241252279.db2.gz ULBNZRSEEOCRNM-UHFFFAOYSA-N 2 1 342.443 2.674 20 30 EFEDMP C[C@H]1C[C@@H](C(=O)N[C@H](c2nccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329165397 241317226 /nfs/dbraw/zinc/31/72/26/241317226.db2.gz HDLGPVKASHZPGK-BPUTZDHNSA-N 2 1 334.464 2.575 20 30 EFEDMP CC(C)[C@](C)(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000329288093 241340002 /nfs/dbraw/zinc/34/00/02/241340002.db2.gz HPVQMXRZSKGCOG-MPGHIAIKSA-N 2 1 338.496 2.503 20 30 EFEDMP CC(C)[C@](C)(CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000329288093 241340005 /nfs/dbraw/zinc/34/00/05/241340005.db2.gz HPVQMXRZSKGCOG-MPGHIAIKSA-N 2 1 338.496 2.503 20 30 EFEDMP CC(C)[C@](C)(CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000329288093 241340007 /nfs/dbraw/zinc/34/00/07/241340007.db2.gz HPVQMXRZSKGCOG-MPGHIAIKSA-N 2 1 338.496 2.503 20 30 EFEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074132 242088351 /nfs/dbraw/zinc/08/83/51/242088351.db2.gz FWLLHHAIPODBMQ-QGZVFWFLSA-N 2 1 348.535 2.581 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363658569 242279383 /nfs/dbraw/zinc/27/93/83/242279383.db2.gz CJUDMOZONFYOFH-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719260 203243064 /nfs/dbraw/zinc/24/30/64/203243064.db2.gz JWBGUPIXKISLNU-SFHVURJKSA-N 2 1 340.471 2.695 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000047776532 213867913 /nfs/dbraw/zinc/86/79/13/213867913.db2.gz WROPKEKVQXDKON-UHFFFAOYSA-N 2 1 348.494 2.986 20 30 EFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c(C#N)c1C ZINC000130430459 205239529 /nfs/dbraw/zinc/23/95/29/205239529.db2.gz LDWFOIVYCRMXKQ-ZDUSSCGKSA-N 2 1 343.431 2.622 20 30 EFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c(C#N)c1C ZINC000130430459 205239533 /nfs/dbraw/zinc/23/95/33/205239533.db2.gz LDWFOIVYCRMXKQ-ZDUSSCGKSA-N 2 1 343.431 2.622 20 30 EFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157118279 206118835 /nfs/dbraw/zinc/11/88/35/206118835.db2.gz QCABQWNTROJFBC-IBGZPJMESA-N 2 1 340.471 2.837 20 30 EFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157464630 206136879 /nfs/dbraw/zinc/13/68/79/206136879.db2.gz SZBYSTRLNNLNNM-SFHVURJKSA-N 2 1 340.471 2.837 20 30 EFEDMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000443991981 250244734 /nfs/dbraw/zinc/24/47/34/250244734.db2.gz XTHZCODAFGXDID-UHFFFAOYSA-N 2 1 335.451 2.989 20 30 EFEDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000118868435 221199215 /nfs/dbraw/zinc/19/92/15/221199215.db2.gz DZCJADIVYVVOFF-UHFFFAOYSA-N 2 1 348.878 2.814 20 30 EFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438595 141385357 /nfs/dbraw/zinc/38/53/57/141385357.db2.gz HWNWJUPYNNDOMH-IIBYNOLFSA-N 2 1 335.451 2.976 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000344171355 145384382 /nfs/dbraw/zinc/38/43/82/145384382.db2.gz RKAAPALOSMGZQI-SFHVURJKSA-N 2 1 328.504 2.969 20 30 EFEDMP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116911 /nfs/dbraw/zinc/11/69/11/149116911.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116913 /nfs/dbraw/zinc/11/69/13/149116913.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116916 /nfs/dbraw/zinc/11/69/16/149116916.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942576 149280977 /nfs/dbraw/zinc/28/09/77/149280977.db2.gz IKMAUWVKRAGYAB-MOPGFXCFSA-N 2 1 335.455 2.675 20 30 EFEDMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942576 149280978 /nfs/dbraw/zinc/28/09/78/149280978.db2.gz IKMAUWVKRAGYAB-MOPGFXCFSA-N 2 1 335.455 2.675 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421726 151344559 /nfs/dbraw/zinc/34/45/59/151344559.db2.gz PFUXUTHLIUNEHE-MISYRCLQSA-N 2 1 343.471 2.511 20 30 EFEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966603 266150817 /nfs/dbraw/zinc/15/08/17/266150817.db2.gz VQSCWRRQPTYGSK-INIZCTEOSA-N 2 1 332.467 2.766 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960320 267180338 /nfs/dbraw/zinc/18/03/38/267180338.db2.gz QZUKNOVCHRBMHM-AGRHKRQWSA-N 2 1 331.435 2.726 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960326 267180411 /nfs/dbraw/zinc/18/04/11/267180411.db2.gz QZUKNOVCHRBMHM-FASAQXTFSA-N 2 1 331.435 2.726 20 30 EFEDMP C[N@@H+](CCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000453387127 267304963 /nfs/dbraw/zinc/30/49/63/267304963.db2.gz AXEGGOJNJHXULQ-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000453592205 267305247 /nfs/dbraw/zinc/30/52/47/267305247.db2.gz DLFGEGNKLPDYQJ-UHFFFAOYSA-N 2 1 337.471 2.923 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852932 268065849 /nfs/dbraw/zinc/06/58/49/268065849.db2.gz IYDHKADTXODADK-RTWAWAEBSA-N 2 1 338.499 2.739 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421606 274347319 /nfs/dbraw/zinc/34/73/19/274347319.db2.gz BFCDDXCGIVGOBI-GOSISDBHSA-N 2 1 332.536 2.951 20 30 EFEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000262492732 278218066 /nfs/dbraw/zinc/21/80/66/278218066.db2.gz JNLHHGIGPUAOHK-HLLBOEOZSA-N 2 1 330.476 2.677 20 30 EFEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688334 278255413 /nfs/dbraw/zinc/25/54/13/278255413.db2.gz BQUMPEVIPIQJOR-DLBZAZTESA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688334 278255414 /nfs/dbraw/zinc/25/54/14/278255414.db2.gz BQUMPEVIPIQJOR-DLBZAZTESA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343721680 278305652 /nfs/dbraw/zinc/30/56/52/278305652.db2.gz CTTQJVFACLHYNN-IAGOWNOFSA-N 2 1 326.488 2.720 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160157899 288102405 /nfs/dbraw/zinc/10/24/05/288102405.db2.gz HBMBVPJPKBWBAI-GFIVTLFCSA-N 2 1 344.478 2.984 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349082761 279330079 /nfs/dbraw/zinc/33/00/79/279330079.db2.gz XNYSTUSCMXYUJH-SFHVURJKSA-N 2 1 332.467 2.545 20 30 EFEDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000566091112 319031565 /nfs/dbraw/zinc/03/15/65/319031565.db2.gz QFSDDDAHFFNKJX-UWWQBHOKSA-N 2 1 330.451 2.786 20 30 EFEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000576911149 320059511 /nfs/dbraw/zinc/05/95/11/320059511.db2.gz IHWABEQNUWKZFB-UNMCSNQZSA-N 2 1 347.462 2.902 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057552 473296747 /nfs/dbraw/zinc/29/67/47/473296747.db2.gz PKROFRNFRDFDJJ-QRQLOZEOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057552 473296752 /nfs/dbraw/zinc/29/67/52/473296752.db2.gz PKROFRNFRDFDJJ-QRQLOZEOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057552 473296759 /nfs/dbraw/zinc/29/67/59/473296759.db2.gz PKROFRNFRDFDJJ-QRQLOZEOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057552 473296764 /nfs/dbraw/zinc/29/67/64/473296764.db2.gz PKROFRNFRDFDJJ-QRQLOZEOSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057566 473297695 /nfs/dbraw/zinc/29/76/95/473297695.db2.gz PKROFRNFRDFDJJ-UHOSZYNNSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057566 473297703 /nfs/dbraw/zinc/29/77/03/473297703.db2.gz PKROFRNFRDFDJJ-UHOSZYNNSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057566 473297708 /nfs/dbraw/zinc/29/77/08/473297708.db2.gz PKROFRNFRDFDJJ-UHOSZYNNSA-N 2 1 332.488 2.569 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057566 473297718 /nfs/dbraw/zinc/29/77/18/473297718.db2.gz PKROFRNFRDFDJJ-UHOSZYNNSA-N 2 1 332.488 2.569 20 30 EFEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083034080 473317018 /nfs/dbraw/zinc/31/70/18/473317018.db2.gz XANSZSJKDGTFFJ-NVXWUHKLSA-N 2 1 330.476 2.535 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000185080704 473321681 /nfs/dbraw/zinc/32/16/81/473321681.db2.gz WCPHPWHFJPZARM-QGZVFWFLSA-N 2 1 345.487 2.792 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835721 472203601 /nfs/dbraw/zinc/20/36/01/472203601.db2.gz ATMCTZCAMKFKBN-SFHVURJKSA-N 2 1 343.471 2.753 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835721 472203604 /nfs/dbraw/zinc/20/36/04/472203604.db2.gz ATMCTZCAMKFKBN-SFHVURJKSA-N 2 1 343.471 2.753 20 30 EFEDMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000116395967 472400290 /nfs/dbraw/zinc/40/02/90/472400290.db2.gz AISNUIHNIZXXSR-WMLDXEAASA-N 2 1 330.476 2.841 20 30 EFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720104 472706852 /nfs/dbraw/zinc/70/68/52/472706852.db2.gz FXXKSFQARHPTKL-SFHVURJKSA-N 2 1 340.471 2.695 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000106329208 472840727 /nfs/dbraw/zinc/84/07/27/472840727.db2.gz URVBBIIGIZNUCZ-QGZVFWFLSA-N 2 1 336.524 2.591 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000122460107 473016351 /nfs/dbraw/zinc/01/63/51/473016351.db2.gz BTZIGOPGXQFRSZ-SFHVURJKSA-N 2 1 344.503 2.879 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000160127748 473089606 /nfs/dbraw/zinc/08/96/06/473089606.db2.gz KRECIITYRBXVKZ-HYVNUMGLSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000160127748 473089609 /nfs/dbraw/zinc/08/96/09/473089609.db2.gz KRECIITYRBXVKZ-HYVNUMGLSA-N 2 1 330.451 2.738 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000113403928 473392725 /nfs/dbraw/zinc/39/27/25/473392725.db2.gz MBQXDPMJQWMBAR-GOSISDBHSA-N 2 1 336.524 2.591 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177772203 473430805 /nfs/dbraw/zinc/43/08/05/473430805.db2.gz NSFCPEKQVMLYOK-UHFFFAOYSA-N 2 1 337.508 2.874 20 30 EFEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000114475591 473471895 /nfs/dbraw/zinc/47/18/95/473471895.db2.gz ZYZUGIHTYCHWKJ-UHFFFAOYSA-N 2 1 342.487 2.941 20 30 EFEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000114475591 473471899 /nfs/dbraw/zinc/47/18/99/473471899.db2.gz ZYZUGIHTYCHWKJ-UHFFFAOYSA-N 2 1 342.487 2.941 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688378 473488751 /nfs/dbraw/zinc/48/87/51/473488751.db2.gz BQUMPEVIPIQJOR-SJORKVTESA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688378 473488756 /nfs/dbraw/zinc/48/87/56/473488756.db2.gz BQUMPEVIPIQJOR-SJORKVTESA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728125 473498854 /nfs/dbraw/zinc/49/88/54/473498854.db2.gz MOGXIJOXOLAPSA-DOTOQJQBSA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728125 473498859 /nfs/dbraw/zinc/49/88/59/473498859.db2.gz MOGXIJOXOLAPSA-DOTOQJQBSA-N 2 1 340.471 2.739 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782109 473513215 /nfs/dbraw/zinc/51/32/15/473513215.db2.gz QGBQXAMXPBUSCR-LEWJYISDSA-N 2 1 340.515 2.996 20 30 EFEDMP C=CCN1CC[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281386295 473702322 /nfs/dbraw/zinc/70/23/22/473702322.db2.gz PNEGPWAFDNHANT-KVPLUYHFSA-N 2 1 341.499 2.520 20 30 EFEDMP C=CCN1CC[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281386295 473702329 /nfs/dbraw/zinc/70/23/29/473702329.db2.gz PNEGPWAFDNHANT-KVPLUYHFSA-N 2 1 341.499 2.520 20 30 EFEDMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180026350 473780258 /nfs/dbraw/zinc/78/02/58/473780258.db2.gz IINANDHJBQMDLX-UHFFFAOYSA-N 2 1 325.460 2.636 20 30 EFEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180113394 473801426 /nfs/dbraw/zinc/80/14/26/473801426.db2.gz CTQFJXOXPMZMRM-KRWDZBQOSA-N 2 1 337.471 2.780 20 30 EFEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225301 473832267 /nfs/dbraw/zinc/83/22/67/473832267.db2.gz GPWZBZGRIYDSTN-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225301 473832272 /nfs/dbraw/zinc/83/22/72/473832272.db2.gz GPWZBZGRIYDSTN-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225301 473832278 /nfs/dbraw/zinc/83/22/78/473832278.db2.gz GPWZBZGRIYDSTN-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225301 473832283 /nfs/dbraw/zinc/83/22/83/473832283.db2.gz GPWZBZGRIYDSTN-KRWDZBQOSA-N 2 1 337.471 2.732 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542273 473896273 /nfs/dbraw/zinc/89/62/73/473896273.db2.gz JWPXWSJVKLNCCA-JENIJYKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542273 473896279 /nfs/dbraw/zinc/89/62/79/473896279.db2.gz JWPXWSJVKLNCCA-JENIJYKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542273 473896283 /nfs/dbraw/zinc/89/62/83/473896283.db2.gz JWPXWSJVKLNCCA-JENIJYKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246542273 473896291 /nfs/dbraw/zinc/89/62/91/473896291.db2.gz JWPXWSJVKLNCCA-JENIJYKNSA-N 2 1 333.520 2.748 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000264080807 473948198 /nfs/dbraw/zinc/94/81/98/473948198.db2.gz HCYXLLPEXUSNBQ-CQSZACIVSA-N 2 1 334.464 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148345 473953914 /nfs/dbraw/zinc/95/39/14/473953914.db2.gz YNSLMPMZAYFRMJ-LBPRGKRZSA-N 2 1 330.354 2.796 20 30 EFEDMP C=C(C)CN(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000181278110 474021611 /nfs/dbraw/zinc/02/16/11/474021611.db2.gz QDLNAPNVRIMBSN-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000181278110 474021622 /nfs/dbraw/zinc/02/16/22/474021622.db2.gz QDLNAPNVRIMBSN-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000181278110 474021630 /nfs/dbraw/zinc/02/16/30/474021630.db2.gz QDLNAPNVRIMBSN-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000181278110 474021644 /nfs/dbraw/zinc/02/16/44/474021644.db2.gz QDLNAPNVRIMBSN-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)CN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000181277975 474021982 /nfs/dbraw/zinc/02/19/82/474021982.db2.gz TVBMBGGKTSIYNI-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000181277975 474021989 /nfs/dbraw/zinc/02/19/89/474021989.db2.gz TVBMBGGKTSIYNI-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000181277975 474021993 /nfs/dbraw/zinc/02/19/93/474021993.db2.gz TVBMBGGKTSIYNI-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000181277975 474022003 /nfs/dbraw/zinc/02/20/03/474022003.db2.gz TVBMBGGKTSIYNI-UHFFFAOYSA-N 2 1 329.488 2.537 20 30 EFEDMP C=C(C)CN(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000181278009 474022382 /nfs/dbraw/zinc/02/23/82/474022382.db2.gz RWSQJBVTAGVTFS-UHFFFAOYSA-N 2 1 333.501 2.682 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181309428 474025451 /nfs/dbraw/zinc/02/54/51/474025451.db2.gz WQCBIFZJOIBFOQ-KRWDZBQOSA-N 2 1 329.488 2.664 20 30 EFEDMP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181407688 474034593 /nfs/dbraw/zinc/03/45/93/474034593.db2.gz KHZSNNTZXZYPOH-FQEVSTJZSA-N 2 1 326.488 2.597 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181407688 474034598 /nfs/dbraw/zinc/03/45/98/474034598.db2.gz KHZSNNTZXZYPOH-FQEVSTJZSA-N 2 1 326.488 2.597 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905820 474480250 /nfs/dbraw/zinc/48/02/50/474480250.db2.gz WNNHFEOYNJHMNA-HNAYVOBHSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905820 474480266 /nfs/dbraw/zinc/48/02/66/474480266.db2.gz WNNHFEOYNJHMNA-HNAYVOBHSA-N 2 1 333.451 2.924 20 30 EFEDMP CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029811 480109829 /nfs/dbraw/zinc/10/98/29/480109829.db2.gz GTZBDYOBXLEURK-FQEVSTJZSA-N 2 1 344.503 2.625 20 30 EFEDMP CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029811 480109834 /nfs/dbraw/zinc/10/98/34/480109834.db2.gz GTZBDYOBXLEURK-FQEVSTJZSA-N 2 1 344.503 2.625 20 30 EFEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398509 474602768 /nfs/dbraw/zinc/60/27/68/474602768.db2.gz DOONKPNLDGEGEP-GOSISDBHSA-N 2 1 341.499 2.665 20 30 EFEDMP C=CCN1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000337162857 474749976 /nfs/dbraw/zinc/74/99/76/474749976.db2.gz WDRVHSBYGDMERE-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337196571 474774486 /nfs/dbraw/zinc/77/44/86/474774486.db2.gz WMNZFKRJMLKGCK-GOSISDBHSA-N 2 1 337.508 2.520 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285520415 475028043 /nfs/dbraw/zinc/02/80/43/475028043.db2.gz BEDZCDQQSZAQRK-MRXNPFEDSA-N 2 1 325.460 2.958 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285953940 475047795 /nfs/dbraw/zinc/04/77/95/475047795.db2.gz GHVAUZBNYDEYKT-AWEZNQCLSA-N 2 1 329.444 2.709 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000294979856 475095723 /nfs/dbraw/zinc/09/57/23/475095723.db2.gz KONNIGUVBZRRSY-KRWDZBQOSA-N 2 1 340.471 2.546 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000294979856 475095731 /nfs/dbraw/zinc/09/57/31/475095731.db2.gz KONNIGUVBZRRSY-KRWDZBQOSA-N 2 1 340.471 2.546 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000295031157 475098748 /nfs/dbraw/zinc/09/87/48/475098748.db2.gz OPVHSJCMISOPLE-GOSISDBHSA-N 2 1 343.471 2.585 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000295031157 475098753 /nfs/dbraw/zinc/09/87/53/475098753.db2.gz OPVHSJCMISOPLE-GOSISDBHSA-N 2 1 343.471 2.585 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000295087299 475103660 /nfs/dbraw/zinc/10/36/60/475103660.db2.gz UNUIYJBDSXMUST-MOPGFXCFSA-N 2 1 328.456 2.713 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000295087299 475103668 /nfs/dbraw/zinc/10/36/68/475103668.db2.gz UNUIYJBDSXMUST-MOPGFXCFSA-N 2 1 328.456 2.713 20 30 EFEDMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000329810974 475137836 /nfs/dbraw/zinc/13/78/36/475137836.db2.gz MQOKJSBDEJTACC-NVXWUHKLSA-N 2 1 345.491 2.558 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000330055156 475192368 /nfs/dbraw/zinc/19/23/68/475192368.db2.gz TXPDRSJIDYQTHM-LZQZEXGQSA-N 2 1 345.487 2.600 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000330055156 475192376 /nfs/dbraw/zinc/19/23/76/475192376.db2.gz TXPDRSJIDYQTHM-LZQZEXGQSA-N 2 1 345.487 2.600 20 30 EFEDMP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000348204010 475484638 /nfs/dbraw/zinc/48/46/38/475484638.db2.gz DJUQEUPBTQZODV-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000348204010 475484646 /nfs/dbraw/zinc/48/46/46/475484646.db2.gz DJUQEUPBTQZODV-UHFFFAOYSA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000352810955 475644950 /nfs/dbraw/zinc/64/49/50/475644950.db2.gz QPCVGEJMRMAATK-PXNSSMCTSA-N 2 1 341.499 2.795 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000352810956 475645616 /nfs/dbraw/zinc/64/56/16/475645616.db2.gz QPCVGEJMRMAATK-XLIONFOSSA-N 2 1 341.499 2.795 20 30 EFEDMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654359 /nfs/dbraw/zinc/65/43/59/475654359.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 1 337.427 2.524 20 30 EFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000343065212 475736425 /nfs/dbraw/zinc/73/64/25/475736425.db2.gz SSCLJOUTVNUAQE-MRXNPFEDSA-N 2 1 342.487 2.542 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348819860 475869916 /nfs/dbraw/zinc/86/99/16/475869916.db2.gz QRBLXZRKXQKMSB-QGZVFWFLSA-N 2 1 335.879 2.709 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358794399 475943950 /nfs/dbraw/zinc/94/39/50/475943950.db2.gz HGQPAHHCXWLHTC-QGZVFWFLSA-N 2 1 336.524 2.591 20 30 EFEDMP C=CCOc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000349333005 475946106 /nfs/dbraw/zinc/94/61/06/475946106.db2.gz PPCXVTFJVKVBEN-GOSISDBHSA-N 2 1 343.515 2.852 20 30 EFEDMP C=CCOc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000349333006 475946887 /nfs/dbraw/zinc/94/68/87/475946887.db2.gz PPCXVTFJVKVBEN-SFHVURJKSA-N 2 1 343.515 2.852 20 30 EFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343721685 476104965 /nfs/dbraw/zinc/10/49/65/476104965.db2.gz CTTQJVFACLHYNN-SJORKVTESA-N 2 1 326.488 2.720 20 30 EFEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344551 476145075 /nfs/dbraw/zinc/14/50/75/476145075.db2.gz ZUOLCBXMDTUKAD-KRWDZBQOSA-N 2 1 337.471 2.780 20 30 EFEDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000350917545 476313292 /nfs/dbraw/zinc/31/32/92/476313292.db2.gz JDUDQFKIKGVUBW-UHFFFAOYSA-N 2 1 346.500 2.514 20 30 EFEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377633978 476490325 /nfs/dbraw/zinc/49/03/25/476490325.db2.gz WDYNVRYPAMKLNU-HXUWFJFHSA-N 2 1 343.515 2.852 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354285694 476561316 /nfs/dbraw/zinc/56/13/16/476561316.db2.gz WPTIAZXEWRWLDO-LJQANCHMSA-N 2 1 329.488 2.664 20 30 EFEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000422980543 476877256 /nfs/dbraw/zinc/87/72/56/476877256.db2.gz QFSDDDAHFFNKJX-QILLFSRXSA-N 2 1 330.451 2.786 20 30 EFEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422980545 476877737 /nfs/dbraw/zinc/87/77/37/476877737.db2.gz QFSDDDAHFFNKJX-ZVZYQTTQSA-N 2 1 330.451 2.786 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422986012 476879996 /nfs/dbraw/zinc/87/99/96/476879996.db2.gz GILXWLNUVLLKLF-IPMKNSEASA-N 2 1 345.512 2.538 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126023 477300121 /nfs/dbraw/zinc/30/01/21/477300121.db2.gz BAQXXDHXANEBHS-QAPCUYQASA-N 2 1 328.460 2.878 20 30 EFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139357 477304505 /nfs/dbraw/zinc/30/45/05/477304505.db2.gz VDJBNPCBCDIDRQ-VQIMIIECSA-N 2 1 342.487 2.556 20 30 EFEDMP CC1(C#N)CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449166009 477466239 /nfs/dbraw/zinc/46/62/39/477466239.db2.gz YSRJFHVYIDRIHM-MHJFOBGBSA-N 2 1 327.472 2.685 20 30 EFEDMP CC1(C#N)CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449166009 477466243 /nfs/dbraw/zinc/46/62/43/477466243.db2.gz YSRJFHVYIDRIHM-MHJFOBGBSA-N 2 1 327.472 2.685 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449166612 477466473 /nfs/dbraw/zinc/46/64/73/477466473.db2.gz FAPLKEQFNQOKAU-QEMIJWRASA-N 2 1 341.499 2.931 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449166612 477466479 /nfs/dbraw/zinc/46/64/79/477466479.db2.gz FAPLKEQFNQOKAU-QEMIJWRASA-N 2 1 341.499 2.931 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449166610 477467179 /nfs/dbraw/zinc/46/71/79/477467179.db2.gz FAPLKEQFNQOKAU-NFYVFUGESA-N 2 1 341.499 2.931 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449166610 477467188 /nfs/dbraw/zinc/46/71/88/477467188.db2.gz FAPLKEQFNQOKAU-NFYVFUGESA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCc1cc(CNCc2cnc3n2CCCC3)cc(OC)c1O ZINC000376727250 477477154 /nfs/dbraw/zinc/47/71/54/477477154.db2.gz CNLCPOWPOISPES-UHFFFAOYSA-N 2 1 327.428 2.952 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc(C#N)c1 ZINC000367426877 477504209 /nfs/dbraw/zinc/50/42/09/477504209.db2.gz TYGRTHCUYGMKOL-UHFFFAOYSA-N 2 1 341.503 2.586 20 30 EFEDMP CC[NH+]1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437090110 477668583 /nfs/dbraw/zinc/66/85/83/477668583.db2.gz PEHQJDGNKCFQPC-UHFFFAOYSA-N 2 1 328.460 2.717 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000372168246 477672802 /nfs/dbraw/zinc/67/28/02/477672802.db2.gz BOZIXZBWFQEZCV-HXUWFJFHSA-N 2 1 345.918 2.792 20 30 EFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000372168246 477672810 /nfs/dbraw/zinc/67/28/10/477672810.db2.gz BOZIXZBWFQEZCV-HXUWFJFHSA-N 2 1 345.918 2.792 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000420310189 477681972 /nfs/dbraw/zinc/68/19/72/477681972.db2.gz FUYWCMCIBHRRSF-GOSISDBHSA-N 2 1 329.488 2.795 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000558403430 477864183 /nfs/dbraw/zinc/86/41/83/477864183.db2.gz NBHDQKBIUMBUOV-QGZVFWFLSA-N 2 1 337.471 2.779 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889566 /nfs/dbraw/zinc/88/95/66/477889566.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889572 /nfs/dbraw/zinc/88/95/72/477889572.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889577 /nfs/dbraw/zinc/88/95/77/477889577.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 2 1 328.460 2.691 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532950162 478012989 /nfs/dbraw/zinc/01/29/89/478012989.db2.gz QBPYPUZNFWVAAI-MRXNPFEDSA-N 2 1 342.487 2.937 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000421333141 478040063 /nfs/dbraw/zinc/04/00/63/478040063.db2.gz NFXSQGGCSPLEKL-UHFFFAOYSA-N 2 1 339.414 2.819 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000421362533 478054383 /nfs/dbraw/zinc/05/43/83/478054383.db2.gz JHHVFQMWPHVWBP-OALUTQOASA-N 2 1 331.435 2.555 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000517191986 478060320 /nfs/dbraw/zinc/06/03/20/478060320.db2.gz LXOBAZRWKXXVHC-UHFFFAOYSA-N 2 1 336.524 2.543 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000517922097 478132612 /nfs/dbraw/zinc/13/26/12/478132612.db2.gz DURWOKSDRYRLHD-QGZVFWFLSA-N 2 1 338.879 2.710 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000490913213 478402547 /nfs/dbraw/zinc/40/25/47/478402547.db2.gz CNTZEZJFGZRZKP-UHFFFAOYSA-N 2 1 339.483 2.607 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594501448 478413304 /nfs/dbraw/zinc/41/33/04/478413304.db2.gz WKBAMAAILYUUOQ-UYAOXDASSA-N 2 1 325.456 2.779 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594502077 478414522 /nfs/dbraw/zinc/41/45/22/478414522.db2.gz CQUBHXYLKGKGHT-IBGZPJMESA-N 2 1 345.512 2.634 20 30 EFEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000594505030 478415582 /nfs/dbraw/zinc/41/55/82/478415582.db2.gz YQAKVKUITYBNHR-QGZVFWFLSA-N 2 1 333.863 2.945 20 30 EFEDMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1Cl ZINC000582040236 478495018 /nfs/dbraw/zinc/49/50/18/478495018.db2.gz MHQDGMFBIFEWSO-HNNXBMFYSA-N 2 1 334.895 2.890 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000583867021 478959412 /nfs/dbraw/zinc/95/94/12/478959412.db2.gz PISHPYNDHHRABA-LJQANCHMSA-N 2 1 332.488 2.673 20 30 EFEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598700974 478979306 /nfs/dbraw/zinc/97/93/06/478979306.db2.gz SFUNSXVTSHZRGK-LJQANCHMSA-N 2 1 329.488 2.850 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1F ZINC000598700394 478979487 /nfs/dbraw/zinc/97/94/87/478979487.db2.gz MXXXIMRFGJTERU-OAHLLOKOSA-N 2 1 330.407 2.710 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000598718726 478989425 /nfs/dbraw/zinc/98/94/25/478989425.db2.gz CWFXEMZNLDVJQA-CVEARBPZSA-N 2 1 335.517 2.850 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000598718726 478989429 /nfs/dbraw/zinc/98/94/29/478989429.db2.gz CWFXEMZNLDVJQA-CVEARBPZSA-N 2 1 335.517 2.850 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963098 479098515 /nfs/dbraw/zinc/09/85/15/479098515.db2.gz BXUGEDALNOUDTO-FCHUYYIVSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963098 479098517 /nfs/dbraw/zinc/09/85/17/479098517.db2.gz BXUGEDALNOUDTO-FCHUYYIVSA-N 2 1 347.462 2.772 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967077 479099419 /nfs/dbraw/zinc/09/94/19/479099419.db2.gz HRUKNLIEXHEVQL-NEWSRXKRSA-N 2 1 329.488 2.645 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610813524 479195639 /nfs/dbraw/zinc/19/56/39/479195639.db2.gz JSBOQFSZVIAPAE-XLIONFOSSA-N 2 1 326.488 2.617 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610813524 479195642 /nfs/dbraw/zinc/19/56/42/479195642.db2.gz JSBOQFSZVIAPAE-XLIONFOSSA-N 2 1 326.488 2.617 20 30 EFEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954667 479216886 /nfs/dbraw/zinc/21/68/86/479216886.db2.gz XCFMFKHNWNCLJV-HXUWFJFHSA-N 2 1 340.515 2.843 20 30 EFEDMP CN(C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)C1(C#N)CCCCC1 ZINC000603110073 479253019 /nfs/dbraw/zinc/25/30/19/479253019.db2.gz LSSNYRBHTDATJC-UHFFFAOYSA-N 2 1 348.535 2.869 20 30 EFEDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1sccc1C#N ZINC000603110637 479254559 /nfs/dbraw/zinc/25/45/59/479254559.db2.gz NNFZPDDYRUKOCN-UHFFFAOYSA-N 2 1 334.489 2.756 20 30 EFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1sccc1C#N ZINC000603110637 479254570 /nfs/dbraw/zinc/25/45/70/479254570.db2.gz NNFZPDDYRUKOCN-UHFFFAOYSA-N 2 1 334.489 2.756 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000574392813 479277286 /nfs/dbraw/zinc/27/72/86/479277286.db2.gz HTDVTVWQTROCKM-HXUWFJFHSA-N 2 1 346.515 2.982 20 30 EFEDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392127 479366345 /nfs/dbraw/zinc/36/63/45/479366345.db2.gz MEWLFFIAUGGKOY-FQEVSTJZSA-N 2 1 326.488 2.553 20 30 EFEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000611392873 479366623 /nfs/dbraw/zinc/36/66/23/479366623.db2.gz RJAVYUVVVMRPBE-UYAOXDASSA-N 2 1 327.472 2.762 20 30 EFEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000611392871 479367582 /nfs/dbraw/zinc/36/75/82/479367582.db2.gz RJAVYUVVVMRPBE-ICSRJNTNSA-N 2 1 327.472 2.762 20 30 EFEDMP C[C@H](CCC#N)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000602508245 479373000 /nfs/dbraw/zinc/37/30/00/479373000.db2.gz LJVYQVFPWJSNPU-QUCCMNQESA-N 2 1 328.504 2.895 20 30 EFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000599658535 479375419 /nfs/dbraw/zinc/37/54/19/479375419.db2.gz AVEYRQIJIUKDIY-INIZCTEOSA-N 2 1 342.487 2.521 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602515801 479377412 /nfs/dbraw/zinc/37/74/12/479377412.db2.gz YDRLTVCMOPZVFU-SFHVURJKSA-N 2 1 328.504 2.854 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000611438442 479380061 /nfs/dbraw/zinc/38/00/61/479380061.db2.gz LJDABLJPSSHTGJ-NRFANRHFSA-N 2 1 338.499 2.597 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000611438442 479380071 /nfs/dbraw/zinc/38/00/71/479380071.db2.gz LJDABLJPSSHTGJ-NRFANRHFSA-N 2 1 338.499 2.597 20 30 EFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000602595341 479415216 /nfs/dbraw/zinc/41/52/16/479415216.db2.gz YQIWOHNBQWCUDS-SFHVURJKSA-N 2 1 349.519 2.710 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723734 479435571 /nfs/dbraw/zinc/43/55/71/479435571.db2.gz YBOMRUQIXJUBKN-UZLBHIALSA-N 2 1 326.488 2.595 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723734 479435574 /nfs/dbraw/zinc/43/55/74/479435574.db2.gz YBOMRUQIXJUBKN-UZLBHIALSA-N 2 1 326.488 2.595 20 30 EFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596899671 479478078 /nfs/dbraw/zinc/47/80/78/479478078.db2.gz QCRCXZRTRUEPAJ-UHFFFAOYSA-N 2 1 341.459 2.636 20 30 EFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000576716135 479583536 /nfs/dbraw/zinc/58/35/36/479583536.db2.gz RINZKRPIDQBQHA-UHFFFAOYSA-N 2 1 346.519 2.525 20 30 EFEDMP C=CC[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000617779193 480360852 /nfs/dbraw/zinc/36/08/52/480360852.db2.gz WZRRKHFHTCFVIL-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000170903786 534074744 /nfs/dbraw/zinc/07/47/44/534074744.db2.gz FOZVIVLZNXKMIA-MRXNPFEDSA-N 2 1 332.492 2.754 20 30 EFEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492150 526163027 /nfs/dbraw/zinc/16/30/27/526163027.db2.gz TWNJSSCOMYJAQT-OAHLLOKOSA-N 2 1 328.460 2.549 20 30 EFEDMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353953577 534912705 /nfs/dbraw/zinc/91/27/05/534912705.db2.gz GFGXPTXEIGCFSP-NRFANRHFSA-N 2 1 340.515 2.987 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174666421 526443822 /nfs/dbraw/zinc/44/38/22/526443822.db2.gz VKJOUWBGZRHJNB-FQEVSTJZSA-N 2 1 341.499 2.808 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171714435 526445314 /nfs/dbraw/zinc/44/53/14/526445314.db2.gz RNJZNLPNGLYOBO-IBGZPJMESA-N 2 1 341.499 2.665 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000174363483 526601703 /nfs/dbraw/zinc/60/17/03/526601703.db2.gz KTPKXFMSNVSGNI-UHFFFAOYSA-N 2 1 325.460 2.706 20 30 EFEDMP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000180988595 526783657 /nfs/dbraw/zinc/78/36/57/526783657.db2.gz BRADANSJLORJPH-SFHVURJKSA-N 2 1 341.480 2.866 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000177050735 527261272 /nfs/dbraw/zinc/26/12/72/527261272.db2.gz XOMPSOGHZPQBGU-FQEVSTJZSA-N 2 1 346.515 2.961 20 30 EFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(OC)c1 ZINC000170909178 528268917 /nfs/dbraw/zinc/26/89/17/528268917.db2.gz FDZILVNQAQEURE-QGZVFWFLSA-N 2 1 341.459 2.900 20 30 EFEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158934043 528355743 /nfs/dbraw/zinc/35/57/43/528355743.db2.gz GMCCKTBXGYDNSO-GOSISDBHSA-N 2 1 348.535 2.725 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399909 528663448 /nfs/dbraw/zinc/66/34/48/528663448.db2.gz YURRFLFYDXTPPE-VQIMIIECSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399909 528663454 /nfs/dbraw/zinc/66/34/54/528663454.db2.gz YURRFLFYDXTPPE-VQIMIIECSA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399894 528667206 /nfs/dbraw/zinc/66/72/06/528667206.db2.gz YURRFLFYDXTPPE-APWZRJJASA-N 2 1 345.487 2.793 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399894 528667212 /nfs/dbraw/zinc/66/72/12/528667212.db2.gz YURRFLFYDXTPPE-APWZRJJASA-N 2 1 345.487 2.793 20 30 EFEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264069251 535389730 /nfs/dbraw/zinc/38/97/30/535389730.db2.gz FXLQPTDYNONZGC-GOSISDBHSA-N 2 1 332.492 2.879 20 30 EFEDMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000236857698 535473276 /nfs/dbraw/zinc/47/32/76/535473276.db2.gz MWFRPPZBPNJFFL-UHFFFAOYSA-N 2 1 331.460 2.952 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461705 535549992 /nfs/dbraw/zinc/54/99/92/535549992.db2.gz MPMRZUJYLHQTLZ-DJIMGWMZSA-N 2 1 334.895 2.975 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000195291789 536655760 /nfs/dbraw/zinc/65/57/60/536655760.db2.gz HHAWYDBHGZFRPY-QGZVFWFLSA-N 2 1 338.455 2.944 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762480863 576306312 /nfs/dbraw/zinc/30/63/12/576306312.db2.gz CRLPEPUXDHLVMA-SJORKVTESA-N 2 1 331.460 2.568 20 30 EFEDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500536 577278830 /nfs/dbraw/zinc/27/88/30/577278830.db2.gz PPQWZKJGCSAPIB-ICSRJNTNSA-N 2 1 335.455 2.795 20 30 EFEDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500536 577278832 /nfs/dbraw/zinc/27/88/32/577278832.db2.gz PPQWZKJGCSAPIB-ICSRJNTNSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500536 577278833 /nfs/dbraw/zinc/27/88/33/577278833.db2.gz PPQWZKJGCSAPIB-ICSRJNTNSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500536 577278836 /nfs/dbraw/zinc/27/88/36/577278836.db2.gz PPQWZKJGCSAPIB-ICSRJNTNSA-N 2 1 335.455 2.795 20 30 EFEDMP CN(c1ccccc1C=[NH+]NCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000769807933 577386935 /nfs/dbraw/zinc/38/69/35/577386935.db2.gz DFVAIXMDTRVTGD-UHFFFAOYSA-N 2 1 328.382 2.703 20 30 EFEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752514548 1249753046 /nfs/dbraw/zinc/75/30/46/1249753046.db2.gz RXMPIVIEXFTRIO-SFHVURJKSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752514548 1249753056 /nfs/dbraw/zinc/75/30/56/1249753056.db2.gz RXMPIVIEXFTRIO-SFHVURJKSA-N 2 1 347.547 2.833 20 30 EFEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752514548 1249753065 /nfs/dbraw/zinc/75/30/65/1249753065.db2.gz RXMPIVIEXFTRIO-SFHVURJKSA-N 2 1 347.547 2.833 20 30 EFEDMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925774 1251376836 /nfs/dbraw/zinc/37/68/36/1251376836.db2.gz PWVDWGJCFDYRDX-OALUTQOASA-N 2 1 342.487 2.521 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834937 1251683134 /nfs/dbraw/zinc/68/31/34/1251683134.db2.gz ZNBGYOXYJCVIAL-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834938 1251683213 /nfs/dbraw/zinc/68/32/13/1251683213.db2.gz ZNBGYOXYJCVIAL-OALUTQOASA-N 2 1 333.520 2.894 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683866 1252165904 /nfs/dbraw/zinc/16/59/04/1252165904.db2.gz IGBKKPQKGCVJNJ-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683866 1252165906 /nfs/dbraw/zinc/16/59/06/1252165906.db2.gz IGBKKPQKGCVJNJ-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683866 1252165913 /nfs/dbraw/zinc/16/59/13/1252165913.db2.gz IGBKKPQKGCVJNJ-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C[NH+]=C(NCc1csc2ccccc12)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083102369 1253354124 /nfs/dbraw/zinc/35/41/24/1253354124.db2.gz IHIHQZJXHQRVRE-AWEZNQCLSA-N 2 1 328.485 2.803 20 30 EFEDMP C[NH+]=C(NCc1csc2ccccc12)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083102369 1253354133 /nfs/dbraw/zinc/35/41/33/1253354133.db2.gz IHIHQZJXHQRVRE-AWEZNQCLSA-N 2 1 328.485 2.803 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995826601 1254748023 /nfs/dbraw/zinc/74/80/23/1254748023.db2.gz QQQIAUXSEXYAMW-CVEARBPZSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996186720 1255062579 /nfs/dbraw/zinc/06/25/79/1255062579.db2.gz AXJUUEWHRLTHSN-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299982 1255184938 /nfs/dbraw/zinc/18/49/38/1255184938.db2.gz HWULHVLJTYLFHY-DNVCBOLYSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676061 1255724263 /nfs/dbraw/zinc/72/42/63/1255724263.db2.gz LIZBSHSWXQXQCZ-DLBZAZTESA-N 2 1 349.906 2.868 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996680783 1255734075 /nfs/dbraw/zinc/73/40/75/1255734075.db2.gz VEHVJQQYGZRLTG-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407809 1255755453 /nfs/dbraw/zinc/75/54/53/1255755453.db2.gz GRSHYHOCWGXTEY-WIYYLYMNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3ccnc3CC)CCC[C@@H]12 ZINC001107413783 1255778943 /nfs/dbraw/zinc/77/89/43/1255778943.db2.gz RXRJEHLLGXIRKI-SQGPQFPESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413783 1255778949 /nfs/dbraw/zinc/77/89/49/1255778949.db2.gz RXRJEHLLGXIRKI-SQGPQFPESA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413783 1255778954 /nfs/dbraw/zinc/77/89/54/1255778954.db2.gz RXRJEHLLGXIRKI-SQGPQFPESA-N 2 1 344.503 2.943 20 30 EFEDMP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098820239 1255817537 /nfs/dbraw/zinc/81/75/37/1255817537.db2.gz HBPKKRDGEUCTJG-QUCCMNQESA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996754171 1255952084 /nfs/dbraw/zinc/95/20/84/1255952084.db2.gz XQGZVYVKHOSNOQ-UHFFFAOYSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107537966 1256078451 /nfs/dbraw/zinc/07/84/51/1256078451.db2.gz DWGYWOOJUVIISR-JFIYKMOQSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550215 1256100504 /nfs/dbraw/zinc/10/05/04/1256100504.db2.gz PXZYUGGMVRBNRE-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550215 1256100507 /nfs/dbraw/zinc/10/05/07/1256100507.db2.gz PXZYUGGMVRBNRE-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550215 1256100516 /nfs/dbraw/zinc/10/05/16/1256100516.db2.gz PXZYUGGMVRBNRE-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552969 1256118787 /nfs/dbraw/zinc/11/87/87/1256118787.db2.gz YEIAITONYANCIA-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552969 1256118791 /nfs/dbraw/zinc/11/87/91/1256118791.db2.gz YEIAITONYANCIA-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552969 1256118797 /nfs/dbraw/zinc/11/87/97/1256118797.db2.gz YEIAITONYANCIA-YLJYHZDGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579729 1256191278 /nfs/dbraw/zinc/19/12/78/1256191278.db2.gz MNKDGANGTUWTNN-QWFCFKBJSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635434 1256333118 /nfs/dbraw/zinc/33/31/18/1256333118.db2.gz PSLDHCZPWBHXBK-TZIWHRDSSA-N 2 1 345.531 2.637 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643304 1256363039 /nfs/dbraw/zinc/36/30/39/1256363039.db2.gz GSOLYQFSEAPMQP-UYAOXDASSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997432818 1257578915 /nfs/dbraw/zinc/57/89/15/1257578915.db2.gz BZPZGLSKUGWYSH-NVXWUHKLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997432818 1257578919 /nfs/dbraw/zinc/57/89/19/1257578919.db2.gz BZPZGLSKUGWYSH-NVXWUHKLSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997613925 1258116269 /nfs/dbraw/zinc/11/62/69/1258116269.db2.gz MEFJKZFGPHAUDK-HKUYNNGSSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617591 1258120736 /nfs/dbraw/zinc/12/07/36/1258120736.db2.gz JFIBQEIQVQOGNB-DOTOQJQBSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997728510 1258307523 /nfs/dbraw/zinc/30/75/23/1258307523.db2.gz HLVTZAGOJLZUKG-LNLFQRSKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997728564 1258316775 /nfs/dbraw/zinc/31/67/75/1258316775.db2.gz IDEDHUJZFLZUTC-ZOBUZTSGSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997728564 1258316785 /nfs/dbraw/zinc/31/67/85/1258316785.db2.gz IDEDHUJZFLZUTC-ZOBUZTSGSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941089 1258769341 /nfs/dbraw/zinc/76/93/41/1258769341.db2.gz XHYFOJIRGSMWPJ-HOTGVXAUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941089 1258769345 /nfs/dbraw/zinc/76/93/45/1258769345.db2.gz XHYFOJIRGSMWPJ-HOTGVXAUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584318 1258795631 /nfs/dbraw/zinc/79/56/31/1258795631.db2.gz TVBGLLUAJMTVSM-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584318 1258795640 /nfs/dbraw/zinc/79/56/40/1258795640.db2.gz TVBGLLUAJMTVSM-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584318 1258795647 /nfs/dbraw/zinc/79/56/47/1258795647.db2.gz TVBGLLUAJMTVSM-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584318 1258795652 /nfs/dbraw/zinc/79/56/52/1258795652.db2.gz TVBGLLUAJMTVSM-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000998051906 1259034643 /nfs/dbraw/zinc/03/46/43/1259034643.db2.gz NQVDBOOYOHFKHV-ZWKOTPCHSA-N 2 1 344.503 2.725 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998090843 1259095970 /nfs/dbraw/zinc/09/59/70/1259095970.db2.gz BOAYRVNPUYPUPE-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090843 1259095976 /nfs/dbraw/zinc/09/59/76/1259095976.db2.gz BOAYRVNPUYPUPE-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998090843 1259095986 /nfs/dbraw/zinc/09/59/86/1259095986.db2.gz BOAYRVNPUYPUPE-UXHICEINSA-N 2 1 347.547 2.835 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093248 1259101633 /nfs/dbraw/zinc/10/16/33/1259101633.db2.gz HCJVKWPUAVOWGN-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093248 1259101634 /nfs/dbraw/zinc/10/16/34/1259101634.db2.gz HCJVKWPUAVOWGN-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998098275 1259108178 /nfs/dbraw/zinc/10/81/78/1259108178.db2.gz OJWIVPWRFPADEL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998098275 1259108182 /nfs/dbraw/zinc/10/81/82/1259108182.db2.gz OJWIVPWRFPADEL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998098275 1259108183 /nfs/dbraw/zinc/10/81/83/1259108183.db2.gz OJWIVPWRFPADEL-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102204 1259113051 /nfs/dbraw/zinc/11/30/51/1259113051.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102204 1259113056 /nfs/dbraw/zinc/11/30/56/1259113056.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998102204 1259113058 /nfs/dbraw/zinc/11/30/58/1259113058.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 2 1 347.547 2.835 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998115960 1259130957 /nfs/dbraw/zinc/13/09/57/1259130957.db2.gz MFVFNORCPIAVAR-IAGOWNOFSA-N 2 1 342.487 2.556 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164804 1259181281 /nfs/dbraw/zinc/18/12/81/1259181281.db2.gz KEYJWLBEFIWLBU-FQEVSTJZSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190480 1259213447 /nfs/dbraw/zinc/21/34/47/1259213447.db2.gz QDBBKXHDYZAQIZ-HXUWFJFHSA-N 2 1 341.499 2.698 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143979 1259952534 /nfs/dbraw/zinc/95/25/34/1259952534.db2.gz NAQUHCLLOFNXFQ-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144459 1260171662 /nfs/dbraw/zinc/17/16/62/1260171662.db2.gz QDPRKFFMHCUJPN-DYESRHJHSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144459 1260171666 /nfs/dbraw/zinc/17/16/66/1260171666.db2.gz QDPRKFFMHCUJPN-DYESRHJHSA-N 2 1 339.483 2.505 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144459 1260171674 /nfs/dbraw/zinc/17/16/74/1260171674.db2.gz QDPRKFFMHCUJPN-DYESRHJHSA-N 2 1 339.483 2.505 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999199278 1260345020 /nfs/dbraw/zinc/34/50/20/1260345020.db2.gz FWZWGDIJGDEIOR-GJZGRUSLSA-N 2 1 338.883 2.730 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144924 1260377306 /nfs/dbraw/zinc/37/73/06/1260377306.db2.gz UJSISHUSCBNZCA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144924 1260377311 /nfs/dbraw/zinc/37/73/11/1260377311.db2.gz UJSISHUSCBNZCA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144924 1260377313 /nfs/dbraw/zinc/37/73/13/1260377313.db2.gz UJSISHUSCBNZCA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999292839 1260493658 /nfs/dbraw/zinc/49/36/58/1260493658.db2.gz GUHNICDUHYRHSQ-KVZIAJEVSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999355812 1260538503 /nfs/dbraw/zinc/53/85/03/1260538503.db2.gz XRTNHERYXRSNFU-CVEARBPZSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999671569 1260816570 /nfs/dbraw/zinc/81/65/70/1260816570.db2.gz KAGWAEZBFDSAJB-OFLPRAFFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000154615 1261116545 /nfs/dbraw/zinc/11/65/45/1261116545.db2.gz OBRNFESRPQQHKE-MJGOQNOKSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173659 1261152996 /nfs/dbraw/zinc/15/29/96/1261152996.db2.gz HLCBGPGVMBHFSI-KRWDZBQOSA-N 2 1 342.487 2.697 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006117201 1261791770 /nfs/dbraw/zinc/79/17/70/1261791770.db2.gz TVHDPFFMSACBSP-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117201 1261791772 /nfs/dbraw/zinc/79/17/72/1261791772.db2.gz TVHDPFFMSACBSP-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803587 1261846702 /nfs/dbraw/zinc/84/67/02/1261846702.db2.gz FVWNOZYTAOFRMU-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001405809 1262182068 /nfs/dbraw/zinc/18/20/68/1262182068.db2.gz USFCTVWMKPGOOP-OALUTQOASA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002825172 1264127888 /nfs/dbraw/zinc/12/78/88/1264127888.db2.gz WCBSQJIARMHJEE-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084769219 1264367786 /nfs/dbraw/zinc/36/77/86/1264367786.db2.gz ZXEBFDVQSTYETF-YFVAEKQCSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769219 1264367801 /nfs/dbraw/zinc/36/78/01/1264367801.db2.gz ZXEBFDVQSTYETF-YFVAEKQCSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853434 1264540320 /nfs/dbraw/zinc/54/03/20/1264540320.db2.gz PVHBOOOGANGRCH-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853428 1264540448 /nfs/dbraw/zinc/54/04/48/1264540448.db2.gz PHNLAEFUPWKKQY-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938979 1264712492 /nfs/dbraw/zinc/71/24/92/1264712492.db2.gz NPMSMRDGKKXTOK-IKGGRYGDSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938979 1264712502 /nfs/dbraw/zinc/71/25/02/1264712502.db2.gz NPMSMRDGKKXTOK-IKGGRYGDSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938979 1264712510 /nfs/dbraw/zinc/71/25/10/1264712510.db2.gz NPMSMRDGKKXTOK-IKGGRYGDSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938979 1264712516 /nfs/dbraw/zinc/71/25/16/1264712516.db2.gz NPMSMRDGKKXTOK-IKGGRYGDSA-N 2 1 339.911 2.535 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941235 1264716578 /nfs/dbraw/zinc/71/65/78/1264716578.db2.gz WMFFREVVGYZGCG-GGPKGHCWSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957736 1264763865 /nfs/dbraw/zinc/76/38/65/1264763865.db2.gz TZGWZZOYQLXPGL-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957736 1264763872 /nfs/dbraw/zinc/76/38/72/1264763872.db2.gz TZGWZZOYQLXPGL-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957736 1264763880 /nfs/dbraw/zinc/76/38/80/1264763880.db2.gz TZGWZZOYQLXPGL-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764320 /nfs/dbraw/zinc/76/43/20/1264764320.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764326 /nfs/dbraw/zinc/76/43/26/1264764326.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764334 /nfs/dbraw/zinc/76/43/34/1264764334.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014132 1264925692 /nfs/dbraw/zinc/92/56/92/1264925692.db2.gz FSEHVCOPHPHEOK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014132 1264925693 /nfs/dbraw/zinc/92/56/93/1264925693.db2.gz FSEHVCOPHPHEOK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014132 1264925696 /nfs/dbraw/zinc/92/56/96/1264925696.db2.gz FSEHVCOPHPHEOK-QYZOEREBSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014241 1264926406 /nfs/dbraw/zinc/92/64/06/1264926406.db2.gz NUVBPZZLQKUSTL-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014241 1264926412 /nfs/dbraw/zinc/92/64/12/1264926412.db2.gz NUVBPZZLQKUSTL-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014241 1264926418 /nfs/dbraw/zinc/92/64/18/1264926418.db2.gz NUVBPZZLQKUSTL-AABGKKOBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927775 /nfs/dbraw/zinc/92/77/75/1264927775.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927783 /nfs/dbraw/zinc/92/77/83/1264927783.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927787 /nfs/dbraw/zinc/92/77/87/1264927787.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049764 1265030021 /nfs/dbraw/zinc/03/00/21/1265030021.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049764 1265030026 /nfs/dbraw/zinc/03/00/26/1265030026.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049764 1265030033 /nfs/dbraw/zinc/03/00/33/1265030033.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101229 1265143580 /nfs/dbraw/zinc/14/35/80/1265143580.db2.gz PYHDDDSLXXIYMM-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101146 1265143643 /nfs/dbraw/zinc/14/36/43/1265143643.db2.gz XBODFMUEKLQGSK-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101146 1265143648 /nfs/dbraw/zinc/14/36/48/1265143648.db2.gz XBODFMUEKLQGSK-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101146 1265143652 /nfs/dbraw/zinc/14/36/52/1265143652.db2.gz XBODFMUEKLQGSK-QRVBRYPASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273038510 1266516374 /nfs/dbraw/zinc/51/63/74/1266516374.db2.gz DLYFFEOIXXGYOY-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039719 1266552951 /nfs/dbraw/zinc/55/29/51/1266552951.db2.gz TZFLKPPJFWXABB-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199348 1266781219 /nfs/dbraw/zinc/78/12/19/1266781219.db2.gz HMNYPEBRJHAIDQ-QXAKKESOSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456781 1267085937 /nfs/dbraw/zinc/08/59/37/1267085937.db2.gz HYTJPQKFMRFVAJ-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004457670 1267088155 /nfs/dbraw/zinc/08/81/55/1267088155.db2.gz JSNMIBBZWUOZIB-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457670 1267088162 /nfs/dbraw/zinc/08/81/62/1267088162.db2.gz JSNMIBBZWUOZIB-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004457670 1267088166 /nfs/dbraw/zinc/08/81/66/1267088166.db2.gz JSNMIBBZWUOZIB-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004460530 1267099859 /nfs/dbraw/zinc/09/98/59/1267099859.db2.gz ZUDDLZZVYYIJOA-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460530 1267099873 /nfs/dbraw/zinc/09/98/73/1267099873.db2.gz ZUDDLZZVYYIJOA-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460530 1267099885 /nfs/dbraw/zinc/09/98/85/1267099885.db2.gz ZUDDLZZVYYIJOA-MOPGFXCFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004460538 1267100186 /nfs/dbraw/zinc/10/01/86/1267100186.db2.gz ZUDDLZZVYYIJOA-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460538 1267100194 /nfs/dbraw/zinc/10/01/94/1267100194.db2.gz ZUDDLZZVYYIJOA-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460538 1267100196 /nfs/dbraw/zinc/10/01/96/1267100196.db2.gz ZUDDLZZVYYIJOA-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307283 1267107361 /nfs/dbraw/zinc/10/73/61/1267107361.db2.gz POURHHTXYCSELX-QRVBRYPASA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123416 1267133486 /nfs/dbraw/zinc/13/34/86/1267133486.db2.gz PQZBHXYQAOUZAY-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123416 1267133488 /nfs/dbraw/zinc/13/34/88/1267133488.db2.gz PQZBHXYQAOUZAY-MRXNPFEDSA-N 2 1 335.517 2.922 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085332328 1267180590 /nfs/dbraw/zinc/18/05/90/1267180590.db2.gz SXBXIIIMRMQZNQ-MDZRGWNJSA-N 2 1 339.499 2.792 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501181 1267186099 /nfs/dbraw/zinc/18/60/99/1267186099.db2.gz YIDFKTGPVXVARL-UXHICEINSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004504035 1267191524 /nfs/dbraw/zinc/19/15/24/1267191524.db2.gz ALIRFFUMLNLHMJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523331 1267216418 /nfs/dbraw/zinc/21/64/18/1267216418.db2.gz OYBOGNCXFMJOAD-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623860 1267218395 /nfs/dbraw/zinc/21/83/95/1267218395.db2.gz RJPCAPVDZDULIL-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623860 1267218404 /nfs/dbraw/zinc/21/84/04/1267218404.db2.gz RJPCAPVDZDULIL-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623860 1267218409 /nfs/dbraw/zinc/21/84/09/1267218409.db2.gz RJPCAPVDZDULIL-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623777 1267218430 /nfs/dbraw/zinc/21/84/30/1267218430.db2.gz QTWSGHVGZAQFJN-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623777 1267218438 /nfs/dbraw/zinc/21/84/38/1267218438.db2.gz QTWSGHVGZAQFJN-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623777 1267218448 /nfs/dbraw/zinc/21/84/48/1267218448.db2.gz QTWSGHVGZAQFJN-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004539896 1267281307 /nfs/dbraw/zinc/28/13/07/1267281307.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539896 1267281319 /nfs/dbraw/zinc/28/13/19/1267281319.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539896 1267281328 /nfs/dbraw/zinc/28/13/28/1267281328.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004565984 1267299782 /nfs/dbraw/zinc/29/97/82/1267299782.db2.gz BFTQLAVURMGWER-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004571943 1267308963 /nfs/dbraw/zinc/30/89/63/1267308963.db2.gz XPHMVIWPKKPAPX-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584857 1267339422 /nfs/dbraw/zinc/33/94/22/1267339422.db2.gz BGQKSYKFBSJRDY-IBGZPJMESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585545 1267340405 /nfs/dbraw/zinc/34/04/05/1267340405.db2.gz GSSVVQSOVFIUNB-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001004598281 1267371746 /nfs/dbraw/zinc/37/17/46/1267371746.db2.gz VZXBQIFDBYSXBB-QGZVFWFLSA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004617966 1267412130 /nfs/dbraw/zinc/41/21/30/1267412130.db2.gz UYTJJAJLVBXEIB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004617966 1267412134 /nfs/dbraw/zinc/41/21/34/1267412134.db2.gz UYTJJAJLVBXEIB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004617966 1267412138 /nfs/dbraw/zinc/41/21/38/1267412138.db2.gz UYTJJAJLVBXEIB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619025 1267413211 /nfs/dbraw/zinc/41/32/11/1267413211.db2.gz JKQDJMFPMNEGTP-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004618522 1267413436 /nfs/dbraw/zinc/41/34/36/1267413436.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004618522 1267413437 /nfs/dbraw/zinc/41/34/37/1267413437.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004618522 1267413438 /nfs/dbraw/zinc/41/34/38/1267413438.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619029 1267413855 /nfs/dbraw/zinc/41/38/55/1267413855.db2.gz JKQDJMFPMNEGTP-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642965 1267450028 /nfs/dbraw/zinc/45/00/28/1267450028.db2.gz XOPFVGLNYUEVSC-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642965 1267450030 /nfs/dbraw/zinc/45/00/30/1267450030.db2.gz XOPFVGLNYUEVSC-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642965 1267450033 /nfs/dbraw/zinc/45/00/33/1267450033.db2.gz XOPFVGLNYUEVSC-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151611 1267452477 /nfs/dbraw/zinc/45/24/77/1267452477.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 1 327.900 2.535 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033160613 1267584602 /nfs/dbraw/zinc/58/46/02/1267584602.db2.gz GXMCDKZESUXUIC-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033160613 1267584610 /nfs/dbraw/zinc/58/46/10/1267584610.db2.gz GXMCDKZESUXUIC-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033160613 1267584615 /nfs/dbraw/zinc/58/46/15/1267584615.db2.gz GXMCDKZESUXUIC-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033160613 1267584623 /nfs/dbraw/zinc/58/46/23/1267584623.db2.gz GXMCDKZESUXUIC-UXHICEINSA-N 2 1 343.515 2.507 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273101406 1267678160 /nfs/dbraw/zinc/67/81/60/1267678160.db2.gz UJLCTZYIPBPEHX-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cncc(C[NH+](CC)CC)c1 ZINC001171072297 1278358871 /nfs/dbraw/zinc/35/88/71/1278358871.db2.gz HLDQZIGBXIFIOZ-SFHVURJKSA-N 2 1 348.491 2.562 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186890528 1267872080 /nfs/dbraw/zinc/87/20/80/1267872080.db2.gz VRJBCLLMPHQVTM-LJQANCHMSA-N 2 1 340.471 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742838 1267936496 /nfs/dbraw/zinc/93/64/96/1267936496.db2.gz JJSZEKMNNJJFRU-CALCHBBNSA-N 2 1 345.487 2.701 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598103 1267962048 /nfs/dbraw/zinc/96/20/48/1267962048.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598103 1267962056 /nfs/dbraw/zinc/96/20/56/1267962056.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598103 1267962059 /nfs/dbraw/zinc/96/20/59/1267962059.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742291 1268392428 /nfs/dbraw/zinc/39/24/28/1268392428.db2.gz NHMXUTDPZAGVMU-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742459 1268393565 /nfs/dbraw/zinc/39/35/65/1268393565.db2.gz QUJIPWIHZIHFKI-GOSISDBHSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297379 1268686498 /nfs/dbraw/zinc/68/64/98/1268686498.db2.gz MLRLWPRRVOSJEL-IBGZPJMESA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818398 1268862635 /nfs/dbraw/zinc/86/26/35/1268862635.db2.gz JOSOSPIUWNCRSV-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818398 1268862651 /nfs/dbraw/zinc/86/26/51/1268862651.db2.gz JOSOSPIUWNCRSV-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818398 1268862671 /nfs/dbraw/zinc/86/26/71/1268862671.db2.gz JOSOSPIUWNCRSV-WCIQWLHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819211 1268868389 /nfs/dbraw/zinc/86/83/89/1268868389.db2.gz WTQJQDHBSXYVJS-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819211 1268868407 /nfs/dbraw/zinc/86/84/07/1268868407.db2.gz WTQJQDHBSXYVJS-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819211 1268868422 /nfs/dbraw/zinc/86/84/22/1268868422.db2.gz WTQJQDHBSXYVJS-YRPNKDGESA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875439 1268897786 /nfs/dbraw/zinc/89/77/86/1268897786.db2.gz ALYWQKCNTVUBFV-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366665 1268951123 /nfs/dbraw/zinc/95/11/23/1268951123.db2.gz YACBTTNCXZWWJR-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366665 1268951128 /nfs/dbraw/zinc/95/11/28/1268951128.db2.gz YACBTTNCXZWWJR-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366665 1268951133 /nfs/dbraw/zinc/95/11/33/1268951133.db2.gz YACBTTNCXZWWJR-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006279864 1269644240 /nfs/dbraw/zinc/64/42/40/1269644240.db2.gz UKLVWVNTKGUEHH-IBGZPJMESA-N 2 1 333.520 2.587 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390327 1270299918 /nfs/dbraw/zinc/29/99/18/1270299918.db2.gz JRMRTKMCGRYZNN-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005390327 1270299925 /nfs/dbraw/zinc/29/99/25/1270299925.db2.gz JRMRTKMCGRYZNN-RDJZCZTQSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390325 1270300512 /nfs/dbraw/zinc/30/05/12/1270300512.db2.gz JRMRTKMCGRYZNN-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005390325 1270300522 /nfs/dbraw/zinc/30/05/22/1270300522.db2.gz JRMRTKMCGRYZNN-NVXWUHKLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033888205 1270494499 /nfs/dbraw/zinc/49/44/99/1270494499.db2.gz RGXQOZLLQYOMNK-KRWDZBQOSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899383 1270525882 /nfs/dbraw/zinc/52/58/82/1270525882.db2.gz YGRXNKWEQZHLGN-GOSISDBHSA-N 2 1 326.444 2.837 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033930765 1270595113 /nfs/dbraw/zinc/59/51/13/1270595113.db2.gz AIVUPIIPUNJCAP-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033930765 1270595119 /nfs/dbraw/zinc/59/51/19/1270595119.db2.gz AIVUPIIPUNJCAP-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033930765 1270595121 /nfs/dbraw/zinc/59/51/21/1270595121.db2.gz AIVUPIIPUNJCAP-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034047086 1270958270 /nfs/dbraw/zinc/95/82/70/1270958270.db2.gz YMHXVSHCWLHFOR-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086390312 1271257312 /nfs/dbraw/zinc/25/73/12/1271257312.db2.gz NBRMDKOTKXZWIK-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086390312 1271257321 /nfs/dbraw/zinc/25/73/21/1271257321.db2.gz NBRMDKOTKXZWIK-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210743 1271364357 /nfs/dbraw/zinc/36/43/57/1271364357.db2.gz JIYSHOITGAKHQO-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210743 1271364366 /nfs/dbraw/zinc/36/43/66/1271364366.db2.gz JIYSHOITGAKHQO-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210743 1271364369 /nfs/dbraw/zinc/36/43/69/1271364369.db2.gz JIYSHOITGAKHQO-MOPGFXCFSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285132 1271534201 /nfs/dbraw/zinc/53/42/01/1271534201.db2.gz PMBUZHBKWHHZGJ-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312322 1271635614 /nfs/dbraw/zinc/63/56/14/1271635614.db2.gz PQEPEGTZNMACPN-QGZVFWFLSA-N 2 1 344.503 2.699 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312322 1271635621 /nfs/dbraw/zinc/63/56/21/1271635621.db2.gz PQEPEGTZNMACPN-QGZVFWFLSA-N 2 1 344.503 2.699 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366649 1271786864 /nfs/dbraw/zinc/78/68/64/1271786864.db2.gz BZMZLGQBEOUSCP-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406211 1271866979 /nfs/dbraw/zinc/86/69/79/1271866979.db2.gz YILHSFUYFCJOJO-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398662 1271894642 /nfs/dbraw/zinc/89/46/42/1271894642.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398662 1271894657 /nfs/dbraw/zinc/89/46/57/1271894657.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398662 1271894672 /nfs/dbraw/zinc/89/46/72/1271894672.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398660 1271894858 /nfs/dbraw/zinc/89/48/58/1271894858.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398660 1271894869 /nfs/dbraw/zinc/89/48/69/1271894869.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398660 1271894878 /nfs/dbraw/zinc/89/48/78/1271894878.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398657 1271895452 /nfs/dbraw/zinc/89/54/52/1271895452.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398657 1271895467 /nfs/dbraw/zinc/89/54/67/1271895467.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398657 1271895477 /nfs/dbraw/zinc/89/54/77/1271895477.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478888 1272078201 /nfs/dbraw/zinc/07/82/01/1272078201.db2.gz PRRZZFDDIXQQAG-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273136304 1272562474 /nfs/dbraw/zinc/56/24/74/1272562474.db2.gz LCSSUQNDPFHZAH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273136304 1272562479 /nfs/dbraw/zinc/56/24/79/1272562479.db2.gz LCSSUQNDPFHZAH-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169125929 1272681636 /nfs/dbraw/zinc/68/16/36/1272681636.db2.gz NXIPIUMYHFEOTJ-DOADOZAASA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125929 1272681647 /nfs/dbraw/zinc/68/16/47/1272681647.db2.gz NXIPIUMYHFEOTJ-DOADOZAASA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125929 1272681656 /nfs/dbraw/zinc/68/16/56/1272681656.db2.gz NXIPIUMYHFEOTJ-DOADOZAASA-N 2 1 347.503 2.722 20 30 EFEDMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001169238615 1272762988 /nfs/dbraw/zinc/76/29/88/1272762988.db2.gz JYEKRCDIPJXRAV-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169351426 1272839968 /nfs/dbraw/zinc/83/99/68/1272839968.db2.gz ZETZHPITNGAQOQ-SJORKVTESA-N 2 1 328.497 2.718 20 30 EFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169351426 1272839975 /nfs/dbraw/zinc/83/99/75/1272839975.db2.gz ZETZHPITNGAQOQ-SJORKVTESA-N 2 1 328.497 2.718 20 30 EFEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725800 1273413887 /nfs/dbraw/zinc/41/38/87/1273413887.db2.gz LIFDOUKNBPLBDF-FHWLQOOXSA-N 2 1 344.503 2.907 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108769976 1273459583 /nfs/dbraw/zinc/45/95/83/1273459583.db2.gz IALZHXLXLFEVQN-ULQDDVLXSA-N 2 1 330.476 2.552 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770304 1273459729 /nfs/dbraw/zinc/45/97/29/1273459729.db2.gz OFBBOIAQWODIBZ-BZSNNMDCSA-N 2 1 344.503 2.942 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005771754 1273547128 /nfs/dbraw/zinc/54/71/28/1273547128.db2.gz CMDCCECSTHGHJA-KRWDZBQOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184403 1273750433 /nfs/dbraw/zinc/75/04/33/1273750433.db2.gz JPEGALGBACNQMY-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184403 1273750439 /nfs/dbraw/zinc/75/04/39/1273750439.db2.gz JPEGALGBACNQMY-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184403 1273750450 /nfs/dbraw/zinc/75/04/50/1273750450.db2.gz JPEGALGBACNQMY-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184274 1273751186 /nfs/dbraw/zinc/75/11/86/1273751186.db2.gz GAVDZTZHVDPNRP-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184459 1273751759 /nfs/dbraw/zinc/75/17/59/1273751759.db2.gz KYFDYYGJHAGHRI-UHFFFAOYSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035199033 1273766513 /nfs/dbraw/zinc/76/65/13/1273766513.db2.gz ZSGPQJOJWRYTME-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035199033 1273766520 /nfs/dbraw/zinc/76/65/20/1273766520.db2.gz ZSGPQJOJWRYTME-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035199033 1273766525 /nfs/dbraw/zinc/76/65/25/1273766525.db2.gz ZSGPQJOJWRYTME-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202739 1273776491 /nfs/dbraw/zinc/77/64/91/1273776491.db2.gz XSGJGSLNYPIJMI-UHFFFAOYSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035188323 1273795155 /nfs/dbraw/zinc/79/51/55/1273795155.db2.gz ZXWUCAHEVDAVLD-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188323 1273795162 /nfs/dbraw/zinc/79/51/62/1273795162.db2.gz ZXWUCAHEVDAVLD-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188323 1273795171 /nfs/dbraw/zinc/79/51/71/1273795171.db2.gz ZXWUCAHEVDAVLD-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189630 1273800068 /nfs/dbraw/zinc/80/00/68/1273800068.db2.gz IIHZDHVYLLCAFZ-UHFFFAOYSA-N 2 1 347.528 2.924 20 30 EFEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193621 1273814855 /nfs/dbraw/zinc/81/48/55/1273814855.db2.gz JJMMDSZJRKELCI-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193621 1273814860 /nfs/dbraw/zinc/81/48/60/1273814860.db2.gz JJMMDSZJRKELCI-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193621 1273814866 /nfs/dbraw/zinc/81/48/66/1273814866.db2.gz JJMMDSZJRKELCI-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194264 1273817833 /nfs/dbraw/zinc/81/78/33/1273817833.db2.gz YAPUNBTWXUDNAM-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194264 1273817840 /nfs/dbraw/zinc/81/78/40/1273817840.db2.gz YAPUNBTWXUDNAM-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216353 1273876717 /nfs/dbraw/zinc/87/67/17/1273876717.db2.gz ZDFOHKWNOQFYGZ-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216353 1273876726 /nfs/dbraw/zinc/87/67/26/1273876726.db2.gz ZDFOHKWNOQFYGZ-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216353 1273876736 /nfs/dbraw/zinc/87/67/36/1273876736.db2.gz ZDFOHKWNOQFYGZ-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237017 1273897831 /nfs/dbraw/zinc/89/78/31/1273897831.db2.gz ICZBVXBCWMGFBO-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237017 1273897839 /nfs/dbraw/zinc/89/78/39/1273897839.db2.gz ICZBVXBCWMGFBO-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237017 1273897841 /nfs/dbraw/zinc/89/78/41/1273897841.db2.gz ICZBVXBCWMGFBO-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243583 1273912356 /nfs/dbraw/zinc/91/23/56/1273912356.db2.gz AKMCMYKLROEFSA-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035247455 1273923196 /nfs/dbraw/zinc/92/31/96/1273923196.db2.gz WIQBGINYXQCXDX-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247455 1273923200 /nfs/dbraw/zinc/92/32/00/1273923200.db2.gz WIQBGINYXQCXDX-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247455 1273923205 /nfs/dbraw/zinc/92/32/05/1273923205.db2.gz WIQBGINYXQCXDX-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260319 1273954789 /nfs/dbraw/zinc/95/47/89/1273954789.db2.gz UAGIPSMPPLWXAD-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260319 1273954794 /nfs/dbraw/zinc/95/47/94/1273954794.db2.gz UAGIPSMPPLWXAD-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035706439 1274386244 /nfs/dbraw/zinc/38/62/44/1274386244.db2.gz LLZPDGNZTWFUQP-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035720657 1274406006 /nfs/dbraw/zinc/40/60/06/1274406006.db2.gz MKMPRPUWTHTEPW-KRWDZBQOSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555412 1274424184 /nfs/dbraw/zinc/42/41/84/1274424184.db2.gz POMRYKUGXWSRQW-XWSJACJDSA-N 2 1 331.504 2.549 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035778625 1274507971 /nfs/dbraw/zinc/50/79/71/1274507971.db2.gz JHQUMPUBYXFADH-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035812195 1274543624 /nfs/dbraw/zinc/54/36/24/1274543624.db2.gz MVKWVLNDHYXCPZ-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814580 1274548626 /nfs/dbraw/zinc/54/86/26/1274548626.db2.gz PIGORXYKVQULMJ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719686 1274572541 /nfs/dbraw/zinc/57/25/41/1274572541.db2.gz KWFPKCHBNDIVSA-MHORFTMASA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719686 1274572544 /nfs/dbraw/zinc/57/25/44/1274572544.db2.gz KWFPKCHBNDIVSA-MHORFTMASA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719686 1274572552 /nfs/dbraw/zinc/57/25/52/1274572552.db2.gz KWFPKCHBNDIVSA-MHORFTMASA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798831 1274646345 /nfs/dbraw/zinc/64/63/45/1274646345.db2.gz UZDJDXUWZOTDEX-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798831 1274646357 /nfs/dbraw/zinc/64/63/57/1274646357.db2.gz UZDJDXUWZOTDEX-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798831 1274646365 /nfs/dbraw/zinc/64/63/65/1274646365.db2.gz UZDJDXUWZOTDEX-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578845 1275287007 /nfs/dbraw/zinc/28/70/07/1275287007.db2.gz JLBYDLWFZNOSCL-QRFRQXIXSA-N 2 1 344.503 2.765 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786832725 1275536947 /nfs/dbraw/zinc/53/69/47/1275536947.db2.gz RQXRRCPCEQSCDM-MRXNPFEDSA-N 2 1 342.487 2.907 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000746674670 1275750292 /nfs/dbraw/zinc/75/02/92/1275750292.db2.gz IFYNXGJVKJUPAU-LJQANCHMSA-N 2 1 331.460 2.522 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855184 1276110363 /nfs/dbraw/zinc/11/03/63/1276110363.db2.gz NIBRRCJCRRDTML-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135996774 1276287341 /nfs/dbraw/zinc/28/73/41/1276287341.db2.gz VQLOWZZSPLNNPJ-DLBZAZTESA-N 2 1 344.503 2.663 20 30 EFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001273147100 1276340357 /nfs/dbraw/zinc/34/03/57/1276340357.db2.gz WBJYUMOIEGUIAM-UHFFFAOYSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871302 1276542860 /nfs/dbraw/zinc/54/28/60/1276542860.db2.gz OCNWOGZSBGENRX-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871302 1276542864 /nfs/dbraw/zinc/54/28/64/1276542864.db2.gz OCNWOGZSBGENRX-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818962123 1276551583 /nfs/dbraw/zinc/55/15/83/1276551583.db2.gz YVIPWGWLCVZANM-FUHIMQAGSA-N 2 1 329.488 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871152 1276555746 /nfs/dbraw/zinc/55/57/46/1276555746.db2.gz KXWOIQXRTHECPS-SFHVURJKSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873083 1276562224 /nfs/dbraw/zinc/56/22/24/1276562224.db2.gz JGPWFBJDKFGWKF-IBGZPJMESA-N 2 1 333.520 2.892 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016482 1276590869 /nfs/dbraw/zinc/59/08/69/1276590869.db2.gz ZQZOHYQIBHGWND-UNMCSNQZSA-N 2 1 349.478 2.746 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174904579 1287243649 /nfs/dbraw/zinc/24/36/49/1287243649.db2.gz COMSHKTZWVPRCX-JYJNAYRXSA-N 2 1 329.916 2.734 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859672 1276790787 /nfs/dbraw/zinc/79/07/87/1276790787.db2.gz ZUKKTVORAZPVOT-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362281 1279039190 /nfs/dbraw/zinc/03/91/90/1279039190.db2.gz UHGWMRINBKMLSW-FDYSRKEFSA-N 2 1 343.471 2.651 20 30 EFEDMP C[N@H+]1CCCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170367102 1279041985 /nfs/dbraw/zinc/04/19/85/1279041985.db2.gz FPVSDNGXCXIUSB-UHFFFAOYSA-N 2 1 340.515 2.618 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086587787 1277638588 /nfs/dbraw/zinc/63/85/88/1277638588.db2.gz NEUMYSXBHIZTSH-ZCNNSNEGSA-N 2 1 341.499 2.629 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086587787 1277638595 /nfs/dbraw/zinc/63/85/95/1277638595.db2.gz NEUMYSXBHIZTSH-ZCNNSNEGSA-N 2 1 341.499 2.629 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086587787 1277638603 /nfs/dbraw/zinc/63/86/03/1277638603.db2.gz NEUMYSXBHIZTSH-ZCNNSNEGSA-N 2 1 341.499 2.629 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113433660 1277837245 /nfs/dbraw/zinc/83/72/45/1277837245.db2.gz WXXDRTRHCRFAAY-UHFFFAOYSA-N 2 1 332.492 2.862 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001086595518 1277975596 /nfs/dbraw/zinc/97/55/96/1277975596.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086595518 1277975603 /nfs/dbraw/zinc/97/56/03/1277975603.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086595518 1277975609 /nfs/dbraw/zinc/97/56/09/1277975609.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595518 1277975619 /nfs/dbraw/zinc/97/56/19/1277975619.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595518 1277975627 /nfs/dbraw/zinc/97/56/27/1277975627.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001086595517 1277975712 /nfs/dbraw/zinc/97/57/12/1277975712.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595517 1277975719 /nfs/dbraw/zinc/97/57/19/1277975719.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595517 1277975723 /nfs/dbraw/zinc/97/57/23/1277975723.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595517 1277975729 /nfs/dbraw/zinc/97/57/29/1277975729.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595517 1277975732 /nfs/dbraw/zinc/97/57/32/1277975732.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522456 1278015907 /nfs/dbraw/zinc/01/59/07/1278015907.db2.gz AHDLQKPYMWZRQQ-RXVVDRJESA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273738 1287369283 /nfs/dbraw/zinc/36/92/83/1287369283.db2.gz VLKFHMACOURACB-AEFFLSMTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273671 1287369771 /nfs/dbraw/zinc/36/97/71/1287369771.db2.gz SVOCNTRPZPBYBS-WMZOPIPTSA-N 2 1 346.519 2.985 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175289995 1287374945 /nfs/dbraw/zinc/37/49/45/1287374945.db2.gz XUIAATGIEVRGGP-MRXNPFEDSA-N 2 1 348.491 2.725 20 30 EFEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001144569355 1279851704 /nfs/dbraw/zinc/85/17/04/1279851704.db2.gz PTQIAAVCNUXJTN-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001144569355 1279851713 /nfs/dbraw/zinc/85/17/13/1279851713.db2.gz PTQIAAVCNUXJTN-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001144569355 1279851717 /nfs/dbraw/zinc/85/17/17/1279851717.db2.gz PTQIAAVCNUXJTN-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001144569355 1279851727 /nfs/dbraw/zinc/85/17/27/1279851727.db2.gz PTQIAAVCNUXJTN-VXKWHMMOSA-N 2 1 338.495 2.848 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272743 1287387240 /nfs/dbraw/zinc/38/72/40/1287387240.db2.gz LVIARCIWTNBUEY-WBVHZDCISA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175272700 1287387320 /nfs/dbraw/zinc/38/73/20/1287387320.db2.gz LNNICRJPWSCGFU-HNNXBMFYSA-N 2 1 329.916 2.735 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272737 1287387331 /nfs/dbraw/zinc/38/73/31/1287387331.db2.gz LVIARCIWTNBUEY-DOTOQJQBSA-N 2 1 332.492 2.595 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272741 1287387513 /nfs/dbraw/zinc/38/75/13/1287387513.db2.gz LVIARCIWTNBUEY-RDJZCZTQSA-N 2 1 332.492 2.595 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001171216808 1280068185 /nfs/dbraw/zinc/06/81/85/1280068185.db2.gz LUWHAUJCJWKMIZ-OAHLLOKOSA-N 2 1 326.444 2.619 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114303836 1280173196 /nfs/dbraw/zinc/17/31/96/1280173196.db2.gz FNAZBJVQGWRSCE-NTZUZEMLSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114303836 1280173203 /nfs/dbraw/zinc/17/32/03/1280173203.db2.gz FNAZBJVQGWRSCE-NTZUZEMLSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114303836 1280173208 /nfs/dbraw/zinc/17/32/08/1280173208.db2.gz FNAZBJVQGWRSCE-NTZUZEMLSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175389828 1287416817 /nfs/dbraw/zinc/41/68/17/1287416817.db2.gz VLQCKFVABGRYFH-SXLOBPIMSA-N 2 1 343.515 2.782 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248983 1280448028 /nfs/dbraw/zinc/44/80/28/1280448028.db2.gz ZRWZQIXDWJRCFW-MJGOQNOKSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCn1ccc2c1nc[nH+]c2NCc1ccccc1N1CC[NH2+]CC1 ZINC001171283053 1281000509 /nfs/dbraw/zinc/00/05/09/1281000509.db2.gz JXPHMUUALRNPGU-UHFFFAOYSA-N 2 1 348.454 2.639 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541795 1281199002 /nfs/dbraw/zinc/19/90/02/1281199002.db2.gz XJFNLWVVCIUQBJ-ROUUACIJSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541795 1281199008 /nfs/dbraw/zinc/19/90/08/1281199008.db2.gz XJFNLWVVCIUQBJ-ROUUACIJSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541795 1281199011 /nfs/dbraw/zinc/19/90/11/1281199011.db2.gz XJFNLWVVCIUQBJ-ROUUACIJSA-N 2 1 333.520 2.748 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170783761 1287480355 /nfs/dbraw/zinc/48/03/55/1287480355.db2.gz GQBCRQZPYYLVKF-ZWKOTPCHSA-N 2 1 333.520 2.539 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021180 1287489097 /nfs/dbraw/zinc/48/90/97/1287489097.db2.gz MBUNPMJYRUXKTH-HZPDHXFCSA-N 2 1 332.492 2.601 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021178 1287489150 /nfs/dbraw/zinc/48/91/50/1287489150.db2.gz MBUNPMJYRUXKTH-CVEARBPZSA-N 2 1 332.492 2.601 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021179 1287489215 /nfs/dbraw/zinc/48/92/15/1287489215.db2.gz MBUNPMJYRUXKTH-HOTGVXAUSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672019 1281394066 /nfs/dbraw/zinc/39/40/66/1281394066.db2.gz CVTVVEBXFKKMQW-XLIONFOSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001148126074 1281431317 /nfs/dbraw/zinc/43/13/17/1281431317.db2.gz SDUOMFREXBLBCO-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148126074 1281431320 /nfs/dbraw/zinc/43/13/20/1281431320.db2.gz SDUOMFREXBLBCO-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148126074 1281431321 /nfs/dbraw/zinc/43/13/21/1281431321.db2.gz SDUOMFREXBLBCO-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161279 1281438582 /nfs/dbraw/zinc/43/85/82/1281438582.db2.gz RHDXYRPSLPTYCY-UHFFFAOYSA-N 2 1 335.536 2.833 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458347 1281558975 /nfs/dbraw/zinc/55/89/75/1281558975.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458347 1281558986 /nfs/dbraw/zinc/55/89/86/1281558986.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458347 1281558994 /nfs/dbraw/zinc/55/89/94/1281558994.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477135 1281569010 /nfs/dbraw/zinc/56/90/10/1281569010.db2.gz KBJZNJPKNLBIQD-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477135 1281569016 /nfs/dbraw/zinc/56/90/16/1281569016.db2.gz KBJZNJPKNLBIQD-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445024 1281573476 /nfs/dbraw/zinc/57/34/76/1281573476.db2.gz JCJWGGAGFMYAHK-KRWDZBQOSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445024 1281573483 /nfs/dbraw/zinc/57/34/83/1281573483.db2.gz JCJWGGAGFMYAHK-KRWDZBQOSA-N 2 1 344.503 2.861 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611659 1281651520 /nfs/dbraw/zinc/65/15/20/1281651520.db2.gz ICGZPFWCWZAYQM-UHFFFAOYSA-N 2 1 333.520 2.587 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738281 1281686046 /nfs/dbraw/zinc/68/60/46/1281686046.db2.gz SXARSUVMEFMITJ-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738281 1281686048 /nfs/dbraw/zinc/68/60/48/1281686048.db2.gz SXARSUVMEFMITJ-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738281 1281686054 /nfs/dbraw/zinc/68/60/54/1281686054.db2.gz SXARSUVMEFMITJ-LMNJBCLMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148834227 1281759633 /nfs/dbraw/zinc/75/96/33/1281759633.db2.gz YSZCIPDCQPXXJS-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148834227 1281759646 /nfs/dbraw/zinc/75/96/46/1281759646.db2.gz YSZCIPDCQPXXJS-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785803 1287528066 /nfs/dbraw/zinc/52/80/66/1287528066.db2.gz OHGNQOOCVKFTPT-RBUKOAKNSA-N 2 1 347.547 2.929 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927495 1281924535 /nfs/dbraw/zinc/92/45/35/1281924535.db2.gz DKVHQOYJTXLQSO-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086920877 1281929761 /nfs/dbraw/zinc/92/97/61/1281929761.db2.gz AROSFBBVUOONQK-OALUTQOASA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086920878 1281930746 /nfs/dbraw/zinc/93/07/46/1281930746.db2.gz AROSFBBVUOONQK-RBUKOAKNSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926963 1281949705 /nfs/dbraw/zinc/94/97/05/1281949705.db2.gz OQRDMDUHMGNSTH-SJORKVTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942191 1281972267 /nfs/dbraw/zinc/97/22/67/1281972267.db2.gz KVPGGXHAJPQGQI-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086946154 1281983760 /nfs/dbraw/zinc/98/37/60/1281983760.db2.gz RHNCHAFBYWUQIV-QGZVFWFLSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101392 1282400169 /nfs/dbraw/zinc/40/01/69/1282400169.db2.gz BCFFQIHYAOSFSW-CTNGQTDRSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132156738 1283060009 /nfs/dbraw/zinc/06/00/09/1283060009.db2.gz IILUEBQAAGBGGA-WBVHZDCISA-N 2 1 326.444 2.883 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175930220 1287619354 /nfs/dbraw/zinc/61/93/54/1287619354.db2.gz ROROUZXLEPGYBF-MRXNPFEDSA-N 2 1 341.459 2.722 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206829 1283157264 /nfs/dbraw/zinc/15/72/64/1283157264.db2.gz OEZVJSNRMIEJEJ-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206829 1283157270 /nfs/dbraw/zinc/15/72/70/1283157270.db2.gz OEZVJSNRMIEJEJ-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206829 1283157277 /nfs/dbraw/zinc/15/72/77/1283157277.db2.gz OEZVJSNRMIEJEJ-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264794 1283217235 /nfs/dbraw/zinc/21/72/35/1283217235.db2.gz BOQQHZPNBSMHFW-RDJZCZTQSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264794 1283217241 /nfs/dbraw/zinc/21/72/41/1283217241.db2.gz BOQQHZPNBSMHFW-RDJZCZTQSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731148 1283291116 /nfs/dbraw/zinc/29/11/16/1283291116.db2.gz OZGOODZRKRRSIE-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310430 1283305809 /nfs/dbraw/zinc/30/58/09/1283305809.db2.gz KSNRLYGGIVVSMM-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310430 1283305818 /nfs/dbraw/zinc/30/58/18/1283305818.db2.gz KSNRLYGGIVVSMM-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310430 1283305830 /nfs/dbraw/zinc/30/58/30/1283305830.db2.gz KSNRLYGGIVVSMM-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310430 1283305841 /nfs/dbraw/zinc/30/58/41/1283305841.db2.gz KSNRLYGGIVVSMM-QUCCMNQESA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354674 1283381437 /nfs/dbraw/zinc/38/14/37/1283381437.db2.gz OBRSMCUXCXQDFN-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354674 1283381447 /nfs/dbraw/zinc/38/14/47/1283381447.db2.gz OBRSMCUXCXQDFN-WMZOPIPTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754289 1283419299 /nfs/dbraw/zinc/41/92/99/1283419299.db2.gz DIOPFNDXHCWDCI-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754434 1283421636 /nfs/dbraw/zinc/42/16/36/1283421636.db2.gz FYTSHCFOLVUDGS-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762619 1283477850 /nfs/dbraw/zinc/47/78/50/1283477850.db2.gz LVVSZDMIHDWDGI-DOTOQJQBSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762620 1283478080 /nfs/dbraw/zinc/47/80/80/1283478080.db2.gz LVVSZDMIHDWDGI-NVXWUHKLSA-N 2 1 344.846 2.623 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420604 1283516272 /nfs/dbraw/zinc/51/62/72/1283516272.db2.gz VQXVWGSJIYBVQS-RBUKOAKNSA-N 2 1 335.536 2.881 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426216 1283551424 /nfs/dbraw/zinc/55/14/24/1283551424.db2.gz UDODIVCMMDLKOU-CVEARBPZSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426216 1283551431 /nfs/dbraw/zinc/55/14/31/1283551431.db2.gz UDODIVCMMDLKOU-CVEARBPZSA-N 2 1 330.476 2.697 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426462 1283552677 /nfs/dbraw/zinc/55/26/77/1283552677.db2.gz XRVLHMCBPCUJDZ-ROUUACIJSA-N 2 1 341.540 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773780 1283555712 /nfs/dbraw/zinc/55/57/12/1283555712.db2.gz SVIGVVUCPGVWQI-LPHOPBHVSA-N 2 1 338.455 2.837 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176024222 1287661325 /nfs/dbraw/zinc/66/13/25/1287661325.db2.gz NEHXWGIHYIRRKV-QGZVFWFLSA-N 2 1 344.503 2.665 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093361296 1283783506 /nfs/dbraw/zinc/78/35/06/1283783506.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093361296 1283783515 /nfs/dbraw/zinc/78/35/15/1283783515.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093361296 1283783522 /nfs/dbraw/zinc/78/35/22/1283783522.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001093373921 1283819448 /nfs/dbraw/zinc/81/94/48/1283819448.db2.gz UZVRRUORKWJNBN-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093373921 1283819455 /nfs/dbraw/zinc/81/94/55/1283819455.db2.gz UZVRRUORKWJNBN-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093373921 1283819460 /nfs/dbraw/zinc/81/94/60/1283819460.db2.gz UZVRRUORKWJNBN-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377050 1283828797 /nfs/dbraw/zinc/82/87/97/1283828797.db2.gz FQBGYIZHZIBYIL-MOPGFXCFSA-N 2 1 347.547 2.852 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378987 1283835248 /nfs/dbraw/zinc/83/52/48/1283835248.db2.gz XJOBZMMMFKHGED-ZWKOTPCHSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379490 1283839491 /nfs/dbraw/zinc/83/94/91/1283839491.db2.gz AMFANZCPEAUADU-OALUTQOASA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382961 1283853508 /nfs/dbraw/zinc/85/35/08/1283853508.db2.gz GSDUEMLICBKITE-FQEVSTJZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541414 1283862535 /nfs/dbraw/zinc/86/25/35/1283862535.db2.gz FDROGFIKBAYHGX-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541414 1283862545 /nfs/dbraw/zinc/86/25/45/1283862545.db2.gz FDROGFIKBAYHGX-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541414 1283862555 /nfs/dbraw/zinc/86/25/55/1283862555.db2.gz FDROGFIKBAYHGX-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541414 1283862563 /nfs/dbraw/zinc/86/25/63/1283862563.db2.gz FDROGFIKBAYHGX-IEBWSBKVSA-N 2 1 329.488 2.664 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000815652790 1287672122 /nfs/dbraw/zinc/67/21/22/1287672122.db2.gz SYTKRTZNWZFOHO-SJORKVTESA-N 2 1 337.508 2.757 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000815652790 1287672123 /nfs/dbraw/zinc/67/21/23/1287672123.db2.gz SYTKRTZNWZFOHO-SJORKVTESA-N 2 1 337.508 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@@H]21 ZINC001036821332 1284061642 /nfs/dbraw/zinc/06/16/42/1284061642.db2.gz YIEFNQXLFZJQQD-UXHICEINSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833030 1284139363 /nfs/dbraw/zinc/13/93/63/1284139363.db2.gz MXBAPBNXKQJHOH-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833030 1284139367 /nfs/dbraw/zinc/13/93/67/1284139367.db2.gz MXBAPBNXKQJHOH-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833029 1284139565 /nfs/dbraw/zinc/13/95/65/1284139565.db2.gz MXBAPBNXKQJHOH-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833029 1284139582 /nfs/dbraw/zinc/13/95/82/1284139582.db2.gz MXBAPBNXKQJHOH-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833514 1284140889 /nfs/dbraw/zinc/14/08/89/1284140889.db2.gz UZKNAKSQFACUGN-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833514 1284140897 /nfs/dbraw/zinc/14/08/97/1284140897.db2.gz UZKNAKSQFACUGN-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833511 1284141249 /nfs/dbraw/zinc/14/12/49/1284141249.db2.gz UZKNAKSQFACUGN-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833511 1284141259 /nfs/dbraw/zinc/14/12/59/1284141259.db2.gz UZKNAKSQFACUGN-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834390 1284145657 /nfs/dbraw/zinc/14/56/57/1284145657.db2.gz JJZDSJJQMRKCCH-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834390 1284145661 /nfs/dbraw/zinc/14/56/61/1284145661.db2.gz JJZDSJJQMRKCCH-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835066 1284148190 /nfs/dbraw/zinc/14/81/90/1284148190.db2.gz UDFMGQZUJYFGGP-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835066 1284148197 /nfs/dbraw/zinc/14/81/97/1284148197.db2.gz UDFMGQZUJYFGGP-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835066 1284148203 /nfs/dbraw/zinc/14/82/03/1284148203.db2.gz UDFMGQZUJYFGGP-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836511 1284154923 /nfs/dbraw/zinc/15/49/23/1284154923.db2.gz RPOMQROQWGIIIN-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841626 1284239277 /nfs/dbraw/zinc/23/92/77/1284239277.db2.gz AVSKIRFOAJDVNO-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842183 1284240893 /nfs/dbraw/zinc/24/08/93/1284240893.db2.gz LJEAMIXLLKDJGH-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854185 1284330483 /nfs/dbraw/zinc/33/04/83/1284330483.db2.gz HNQUTXORERSIAI-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866919 1284439947 /nfs/dbraw/zinc/43/99/47/1284439947.db2.gz MKQRXRBULYLWAF-PMACEKPBSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866922 1284440016 /nfs/dbraw/zinc/44/00/16/1284440016.db2.gz MKQRXRBULYLWAF-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867464 1284441522 /nfs/dbraw/zinc/44/15/22/1284441522.db2.gz VPLNLMONNDZTTJ-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176112763 1287714450 /nfs/dbraw/zinc/71/44/50/1287714450.db2.gz ZHZSVNOFQCGMJM-MOPGFXCFSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942213 1284499375 /nfs/dbraw/zinc/49/93/75/1284499375.db2.gz YILKODKXYXJXFS-SJORKVTESA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120256 1287718380 /nfs/dbraw/zinc/71/83/80/1287718380.db2.gz MBKXWYVHOGLPOH-ICSRJNTNSA-N 2 1 343.515 2.967 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153922 1284789576 /nfs/dbraw/zinc/78/95/76/1284789576.db2.gz SBKDWOWRDUWZOQ-YRXWBPOGSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120807 1284830262 /nfs/dbraw/zinc/83/02/62/1284830262.db2.gz BHDWQDRPFDBMOV-ZBFHGGJFSA-N 2 1 343.943 2.791 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120783 1284830611 /nfs/dbraw/zinc/83/06/11/1284830611.db2.gz AYPMBROLSGIARV-ZWKOTPCHSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141820 1284862776 /nfs/dbraw/zinc/86/27/76/1284862776.db2.gz HMJDHKLDOXLYGW-SJORKVTESA-N 2 1 332.492 2.657 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165516 1284922846 /nfs/dbraw/zinc/92/28/46/1284922846.db2.gz IJRITNCYWOSTQS-FUHWJXTLSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461330 1285137816 /nfs/dbraw/zinc/13/78/16/1285137816.db2.gz SZNVVCHLGHCGPB-UYAOXDASSA-N 2 1 338.455 2.885 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361062 1285260093 /nfs/dbraw/zinc/26/00/93/1285260093.db2.gz SAFJLUXJSSSEPA-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133361062 1285260099 /nfs/dbraw/zinc/26/00/99/1285260099.db2.gz SAFJLUXJSSSEPA-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361031 1285260311 /nfs/dbraw/zinc/26/03/11/1285260311.db2.gz RKGKBRSGBNIKEE-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133361031 1285260317 /nfs/dbraw/zinc/26/03/17/1285260317.db2.gz RKGKBRSGBNIKEE-QUCCMNQESA-N 2 1 343.515 2.769 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1C ZINC001133410459 1285371739 /nfs/dbraw/zinc/37/17/39/1285371739.db2.gz GWXMUHJQNNDBAL-UHFFFAOYSA-N 2 1 346.862 2.649 20 30 EFEDMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1(C)C ZINC001171639967 1285719388 /nfs/dbraw/zinc/71/93/88/1285719388.db2.gz XESBTXNWQKMUAP-UHFFFAOYSA-N 2 1 341.503 2.727 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171726255 1285744291 /nfs/dbraw/zinc/74/42/91/1285744291.db2.gz ZBJOPVHYMUUZJB-UHFFFAOYSA-N 2 1 349.906 2.519 20 30 EFEDMP CCCCCCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856818 1286032824 /nfs/dbraw/zinc/03/28/24/1286032824.db2.gz RUXHCYUPTLNUNC-GOSISDBHSA-N 2 1 329.504 2.875 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134145 1289052449 /nfs/dbraw/zinc/05/24/49/1289052449.db2.gz GQCPJCJCFPLHLE-UHFFFAOYSA-N 2 1 335.536 2.931 20 30 EFEDMP N#CCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001173333665 1286528668 /nfs/dbraw/zinc/52/86/68/1286528668.db2.gz LLOIOCHPVNWYIL-WDQDQHCCSA-N 2 1 341.499 2.931 20 30 EFEDMP N#CCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001173333665 1286528670 /nfs/dbraw/zinc/52/86/70/1286528670.db2.gz LLOIOCHPVNWYIL-WDQDQHCCSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179378824 1289131605 /nfs/dbraw/zinc/13/16/05/1289131605.db2.gz RDXZYIOUEQDXNP-HOTGVXAUSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176278896 1287921168 /nfs/dbraw/zinc/92/11/68/1287921168.db2.gz JUGUYSRLDYQEAB-CQSZACIVSA-N 2 1 348.329 2.501 20 30 EFEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471881 1288034718 /nfs/dbraw/zinc/03/47/18/1288034718.db2.gz PXECJAIPXHXFOG-HOTGVXAUSA-N 2 1 348.491 2.723 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753948 1288120271 /nfs/dbraw/zinc/12/02/71/1288120271.db2.gz OQOUDXHBWRIYRL-QGZVFWFLSA-N 2 1 344.503 2.663 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754348 1288120595 /nfs/dbraw/zinc/12/05/95/1288120595.db2.gz TWIVMLPUCKFAGE-QGZVFWFLSA-N 2 1 344.503 2.663 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754188 1288120747 /nfs/dbraw/zinc/12/07/47/1288120747.db2.gz SSAMROJRJKMLFB-KRWDZBQOSA-N 2 1 344.503 2.663 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819979 1288135796 /nfs/dbraw/zinc/13/57/96/1288135796.db2.gz GPAQMABFIORAKG-SFHVURJKSA-N 2 1 331.504 2.959 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819979 1288135803 /nfs/dbraw/zinc/13/58/03/1288135803.db2.gz GPAQMABFIORAKG-SFHVURJKSA-N 2 1 331.504 2.959 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583558 1288137944 /nfs/dbraw/zinc/13/79/44/1288137944.db2.gz AHNAGRQMNBPRHH-UONOGXRCSA-N 2 1 326.872 2.632 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785324 1288368021 /nfs/dbraw/zinc/36/80/21/1288368021.db2.gz UTVNVMSSOHVCHR-KBPBESRZSA-N 2 1 347.850 2.506 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001177317177 1288385461 /nfs/dbraw/zinc/38/54/61/1288385461.db2.gz PHTVGJFKTYMHNL-FQEVSTJZSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177323868 1288389860 /nfs/dbraw/zinc/38/98/60/1288389860.db2.gz JJXQXMZAKFARKP-VQTJNVASSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001177339605 1288399241 /nfs/dbraw/zinc/39/92/41/1288399241.db2.gz LQNYYJAGULNYGN-SFHVURJKSA-N 2 1 344.503 2.945 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177415700 1288423327 /nfs/dbraw/zinc/42/33/27/1288423327.db2.gz IQNSKJNEOWLBTJ-IEBWSBKVSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177416017 1288424566 /nfs/dbraw/zinc/42/45/66/1288424566.db2.gz REORCMBZRCVVSO-GOSISDBHSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416250 1288424848 /nfs/dbraw/zinc/42/48/48/1288424848.db2.gz XMMBDUDNESPUNS-PKOBYXMFSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177467262 1288431830 /nfs/dbraw/zinc/43/18/30/1288431830.db2.gz YPVDFNVOXHESLD-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001177437066 1288440587 /nfs/dbraw/zinc/44/05/87/1288440587.db2.gz LKUDJGXNDSUNDP-KRWDZBQOSA-N 2 1 344.503 2.610 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736114 1312672560 /nfs/dbraw/zinc/67/25/60/1312672560.db2.gz HRVLZOQUKKYMHE-QZTJIDSGSA-N 2 1 333.520 2.846 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001178722677 1288867827 /nfs/dbraw/zinc/86/78/27/1288867827.db2.gz NAAWNLNIFUMYOD-SFHVURJKSA-N 2 1 347.528 2.612 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001178722677 1288867823 /nfs/dbraw/zinc/86/78/23/1288867823.db2.gz NAAWNLNIFUMYOD-SFHVURJKSA-N 2 1 347.528 2.612 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539339 1289183621 /nfs/dbraw/zinc/18/36/21/1289183621.db2.gz VKKVCJFMOJNULK-BXWFABGCSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988436 1289353329 /nfs/dbraw/zinc/35/33/29/1289353329.db2.gz HDRWRGQPAKWLGT-UHFFFAOYSA-N 2 1 348.329 2.503 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926777 1312705655 /nfs/dbraw/zinc/70/56/55/1312705655.db2.gz CLFKBQQWGIKHIF-GOSISDBHSA-N 2 1 335.536 2.949 20 30 EFEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180121381 1289424703 /nfs/dbraw/zinc/42/47/03/1289424703.db2.gz NDXWRHIFQJQNLA-UHFFFAOYSA-N 2 1 348.329 2.503 20 30 EFEDMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180121426 1289424867 /nfs/dbraw/zinc/42/48/67/1289424867.db2.gz OKSIEPSZSFGLIY-UHFFFAOYSA-N 2 1 344.503 2.666 20 30 EFEDMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180123277 1289426306 /nfs/dbraw/zinc/42/63/06/1289426306.db2.gz FBJAWPJPZLMFJV-UHFFFAOYSA-N 2 1 343.515 2.646 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180451554 1289538507 /nfs/dbraw/zinc/53/85/07/1289538507.db2.gz FSMZWWFTNDSNQT-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180451554 1289538514 /nfs/dbraw/zinc/53/85/14/1289538514.db2.gz FSMZWWFTNDSNQT-UHFFFAOYSA-N 2 1 331.504 2.961 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624018 1289869329 /nfs/dbraw/zinc/86/93/29/1289869329.db2.gz JXVPFFZFZSAALG-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624018 1289869340 /nfs/dbraw/zinc/86/93/40/1289869340.db2.gz JXVPFFZFZSAALG-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624018 1289869358 /nfs/dbraw/zinc/86/93/58/1289869358.db2.gz JXVPFFZFZSAALG-RUYXUALKSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720941 1289915642 /nfs/dbraw/zinc/91/56/42/1289915642.db2.gz VBYHMRAYVQAQQD-QWFCFKBJSA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896632 1290271628 /nfs/dbraw/zinc/27/16/28/1290271628.db2.gz AZVUOUFRDAWTTG-VQIMIIECSA-N 2 1 332.492 2.622 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183138385 1290302897 /nfs/dbraw/zinc/30/28/97/1290302897.db2.gz SPSBQUSAKHKMTG-YFVAEKQCSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714364 1290498197 /nfs/dbraw/zinc/49/81/97/1290498197.db2.gz XYJZRZTWRYNSTM-UKRRQHHQSA-N 2 1 329.916 2.543 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597502 1290994895 /nfs/dbraw/zinc/99/48/95/1290994895.db2.gz INZPBKWOCSWFBC-SFHVURJKSA-N 2 1 335.536 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597501 1290995197 /nfs/dbraw/zinc/99/51/97/1290995197.db2.gz INZPBKWOCSWFBC-GOSISDBHSA-N 2 1 335.536 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598147 1290996770 /nfs/dbraw/zinc/99/67/70/1290996770.db2.gz QCHSCNFLAZPJGR-GOSISDBHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776473 1291018552 /nfs/dbraw/zinc/01/85/52/1291018552.db2.gz NXHCDPDIJLCZQU-ZWKOTPCHSA-N 2 1 349.906 2.827 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736083 1312831541 /nfs/dbraw/zinc/83/15/41/1312831541.db2.gz CQMGBFSZOYKJOK-UHFFFAOYSA-N 2 1 348.491 2.726 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC000877009492 1291106407 /nfs/dbraw/zinc/10/64/07/1291106407.db2.gz OGVAVDSBWVYLHV-UHFFFAOYSA-N 2 1 337.508 2.875 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958333 1291273379 /nfs/dbraw/zinc/27/33/79/1291273379.db2.gz QZFYTTWFTFBIOD-FCGDIQPGSA-N 2 1 335.536 2.830 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958333 1291273387 /nfs/dbraw/zinc/27/33/87/1291273387.db2.gz QZFYTTWFTFBIOD-FCGDIQPGSA-N 2 1 335.536 2.830 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958333 1291273395 /nfs/dbraw/zinc/27/33/95/1291273395.db2.gz QZFYTTWFTFBIOD-FCGDIQPGSA-N 2 1 335.536 2.830 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166801939 1312844234 /nfs/dbraw/zinc/84/42/34/1312844234.db2.gz FQJPNUNAAVACKQ-LJQANCHMSA-N 2 1 345.531 2.683 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166875340 1312858015 /nfs/dbraw/zinc/85/80/15/1312858015.db2.gz HGTXDYPYENBUCE-KRWDZBQOSA-N 2 1 344.503 2.596 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970780 1291531758 /nfs/dbraw/zinc/53/17/58/1291531758.db2.gz KSEUMOLGWLNLNS-ZWKOTPCHSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001114724527 1291557779 /nfs/dbraw/zinc/55/77/79/1291557779.db2.gz OKGGTUOKVLUXSS-ZRNYENFQSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114724527 1291557785 /nfs/dbraw/zinc/55/77/85/1291557785.db2.gz OKGGTUOKVLUXSS-ZRNYENFQSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114724527 1291557792 /nfs/dbraw/zinc/55/77/92/1291557792.db2.gz OKGGTUOKVLUXSS-ZRNYENFQSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001114728656 1291584897 /nfs/dbraw/zinc/58/48/97/1291584897.db2.gz HXQDKPQBGUJVGA-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001114728656 1291584901 /nfs/dbraw/zinc/58/49/01/1291584901.db2.gz HXQDKPQBGUJVGA-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001114728656 1291584908 /nfs/dbraw/zinc/58/49/08/1291584908.db2.gz HXQDKPQBGUJVGA-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127545 1291590407 /nfs/dbraw/zinc/59/04/07/1291590407.db2.gz XLFNSNHRUSODER-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127545 1291590412 /nfs/dbraw/zinc/59/04/12/1291590412.db2.gz XLFNSNHRUSODER-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127545 1291590416 /nfs/dbraw/zinc/59/04/16/1291590416.db2.gz XLFNSNHRUSODER-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544930 1291738991 /nfs/dbraw/zinc/73/89/91/1291738991.db2.gz BSXKDDCSXMTUBH-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957556018 1291759315 /nfs/dbraw/zinc/75/93/15/1291759315.db2.gz SWOMZJRANICTQL-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561352 1291768589 /nfs/dbraw/zinc/76/85/89/1291768589.db2.gz MUBXVMQXVFOBAD-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016616189 1312883564 /nfs/dbraw/zinc/88/35/64/1312883564.db2.gz AHFSUCJCIDZMKK-HZPDHXFCSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772164 1291851279 /nfs/dbraw/zinc/85/12/79/1291851279.db2.gz XJXHSQFEOPYKAQ-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647300 1291958810 /nfs/dbraw/zinc/95/88/10/1291958810.db2.gz BLAUHYRDJAEANZ-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176696 1292044566 /nfs/dbraw/zinc/04/45/66/1292044566.db2.gz OOPJZDDDUYRGAM-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190176696 1292044575 /nfs/dbraw/zinc/04/45/75/1292044575.db2.gz OOPJZDDDUYRGAM-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190176696 1292044583 /nfs/dbraw/zinc/04/45/83/1292044583.db2.gz OOPJZDDDUYRGAM-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246315 1292078316 /nfs/dbraw/zinc/07/83/16/1292078316.db2.gz ACYQDJARLUWRNF-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246315 1292078323 /nfs/dbraw/zinc/07/83/23/1292078323.db2.gz ACYQDJARLUWRNF-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475749 1312902926 /nfs/dbraw/zinc/90/29/26/1312902926.db2.gz ARHOODDAGLKMOS-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652515 1312905075 /nfs/dbraw/zinc/90/50/75/1312905075.db2.gz SUQUXACUIBFBQB-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016653755 1312905720 /nfs/dbraw/zinc/90/57/20/1312905720.db2.gz BLLHXOHPNRSEEZ-ROUUACIJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480813 1292178798 /nfs/dbraw/zinc/17/87/98/1292178798.db2.gz MBAZRAZLQYPHMQ-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479051 1312908688 /nfs/dbraw/zinc/90/86/88/1312908688.db2.gz XHONWSADRQKUNU-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660820 1312910140 /nfs/dbraw/zinc/91/01/40/1312910140.db2.gz BZTWKVRMJMMANM-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016662540 1312910954 /nfs/dbraw/zinc/91/09/54/1312910954.db2.gz KMLYJELARBCSGC-ZWKOTPCHSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663847 1312912091 /nfs/dbraw/zinc/91/20/91/1312912091.db2.gz UXJOHRKJVSZQMP-ROUUACIJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001190900126 1292345981 /nfs/dbraw/zinc/34/59/81/1292345981.db2.gz OCMZRYQYACEUPC-IRXDYDNUSA-N 2 1 332.492 2.814 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417446 1312920633 /nfs/dbraw/zinc/92/06/33/1312920633.db2.gz AIXOKZUVLIHFMH-DLBZAZTESA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191008739 1292421906 /nfs/dbraw/zinc/42/19/06/1292421906.db2.gz AIGABYPZMBKNSD-HKUYNNGSSA-N 2 1 344.503 2.725 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191010396 1292423132 /nfs/dbraw/zinc/42/31/32/1292423132.db2.gz LRCLUDHOXGNXEY-PKOBYXMFSA-N 2 1 346.519 2.949 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001191010827 1292423973 /nfs/dbraw/zinc/42/39/73/1292423973.db2.gz QSRYIZWKAWNOQJ-MSOLQXFVSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203452838 1312928235 /nfs/dbraw/zinc/92/82/35/1312928235.db2.gz QJZNDGLNPQUBFQ-IAGOWNOFSA-N 2 1 344.503 2.990 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467686 1312931186 /nfs/dbraw/zinc/93/11/86/1312931186.db2.gz DHCWCHHIENMCOL-IRXDYDNUSA-N 2 1 344.503 2.990 20 30 EFEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468494 1312931485 /nfs/dbraw/zinc/93/14/85/1312931485.db2.gz LAESSDQUGUKXPN-HZPDHXFCSA-N 2 1 330.476 2.600 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701647 1312934386 /nfs/dbraw/zinc/93/43/86/1312934386.db2.gz CIPAXHBLFWJKLU-QZTJIDSGSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544078 1292563067 /nfs/dbraw/zinc/56/30/67/1292563067.db2.gz YCCFNWPTPKXXHH-SFHVURJKSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191544120 1292563174 /nfs/dbraw/zinc/56/31/74/1292563174.db2.gz ZDMCYZRJHKAMLO-LJQANCHMSA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491441 1312937934 /nfs/dbraw/zinc/93/79/34/1312937934.db2.gz GHYSJFYVPXMNCX-IAGOWNOFSA-N 2 1 330.476 2.565 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491438 1312937968 /nfs/dbraw/zinc/93/79/68/1312937968.db2.gz GHYSJFYVPXMNCX-DLBZAZTESA-N 2 1 330.476 2.565 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828694 1292649908 /nfs/dbraw/zinc/64/99/08/1292649908.db2.gz IPOWSEZTZWGWQX-ZSYWTGECSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509860 1312942934 /nfs/dbraw/zinc/94/29/34/1312942934.db2.gz AIQYFTMJLZKCBC-IAGOWNOFSA-N 2 1 345.512 2.512 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509860 1312942939 /nfs/dbraw/zinc/94/29/39/1312942939.db2.gz AIQYFTMJLZKCBC-IAGOWNOFSA-N 2 1 345.512 2.512 20 30 EFEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947268 1292724533 /nfs/dbraw/zinc/72/45/33/1292724533.db2.gz HSNDFTUASKQPLQ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947268 1292724541 /nfs/dbraw/zinc/72/45/41/1292724541.db2.gz HSNDFTUASKQPLQ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947268 1292724546 /nfs/dbraw/zinc/72/45/46/1292724546.db2.gz HSNDFTUASKQPLQ-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128897192 1292801251 /nfs/dbraw/zinc/80/12/51/1292801251.db2.gz HIQRQJCNQRPPPK-IUODEOHRSA-N 2 1 336.430 2.645 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205582563 1292802966 /nfs/dbraw/zinc/80/29/66/1292802966.db2.gz XSUYHCWELYTAMG-OAHLLOKOSA-N 2 1 340.240 2.974 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114839450 1292813256 /nfs/dbraw/zinc/81/32/56/1292813256.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114839450 1292813270 /nfs/dbraw/zinc/81/32/70/1292813270.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 2 1 335.536 2.757 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114839450 1292813286 /nfs/dbraw/zinc/81/32/86/1292813286.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049524474 1312966246 /nfs/dbraw/zinc/96/62/46/1312966246.db2.gz MDHXFYZALMGLCB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524474 1312966249 /nfs/dbraw/zinc/96/62/49/1312966249.db2.gz MDHXFYZALMGLCB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524474 1312966253 /nfs/dbraw/zinc/96/62/53/1312966253.db2.gz MDHXFYZALMGLCB-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114848705 1292999300 /nfs/dbraw/zinc/99/93/00/1292999300.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 2 1 337.552 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114848705 1292999311 /nfs/dbraw/zinc/99/93/11/1292999311.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 2 1 337.552 2.981 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114848705 1292999320 /nfs/dbraw/zinc/99/93/20/1292999320.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 2 1 337.552 2.981 20 30 EFEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192904589 1293094435 /nfs/dbraw/zinc/09/44/35/1293094435.db2.gz BCMNCJGTJDHYSH-INIZCTEOSA-N 2 1 329.916 2.784 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001049544181 1312990290 /nfs/dbraw/zinc/99/02/90/1312990290.db2.gz BOPSGRCJKRGJHV-SJORKVTESA-N 2 1 330.476 2.568 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544607 1312991033 /nfs/dbraw/zinc/99/10/33/1312991033.db2.gz DRJVDHYRPDQVGA-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193425124 1293304790 /nfs/dbraw/zinc/30/47/90/1293304790.db2.gz SWAYNFXKPCSEKA-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425124 1293304798 /nfs/dbraw/zinc/30/47/98/1293304798.db2.gz SWAYNFXKPCSEKA-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193425124 1293304806 /nfs/dbraw/zinc/30/48/06/1293304806.db2.gz SWAYNFXKPCSEKA-RBUKOAKNSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498022 1293326018 /nfs/dbraw/zinc/32/60/18/1293326018.db2.gz FDJAUFBTVLGHBQ-JKSUJKDBSA-N 2 1 330.476 2.649 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820691 1312997226 /nfs/dbraw/zinc/99/72/26/1312997226.db2.gz SHLDCKQXQNEUPJ-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071642 1293515767 /nfs/dbraw/zinc/51/57/67/1293515767.db2.gz IGEMZAFVWJWCMJ-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071642 1293515773 /nfs/dbraw/zinc/51/57/73/1293515773.db2.gz IGEMZAFVWJWCMJ-MRXNPFEDSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275175 1293562378 /nfs/dbraw/zinc/56/23/78/1293562378.db2.gz POPSDEKEWAYBGI-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275175 1293562382 /nfs/dbraw/zinc/56/23/82/1293562382.db2.gz POPSDEKEWAYBGI-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858660 1313014585 /nfs/dbraw/zinc/01/45/85/1313014585.db2.gz HRMWTRZSBOZLRO-QGZVFWFLSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001194449123 1293627890 /nfs/dbraw/zinc/62/78/90/1293627890.db2.gz PLNPPMHLMZFSTC-SFHVURJKSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016861999 1313015621 /nfs/dbraw/zinc/01/56/21/1313015621.db2.gz RLOWQKUMUXIXOY-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560253 1313017882 /nfs/dbraw/zinc/01/78/82/1313017882.db2.gz CAKQICOJXNLXSM-RBUKOAKNSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562110 1313020687 /nfs/dbraw/zinc/02/06/87/1313020687.db2.gz UFFQBDOFBUOPJD-RTBURBONSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562109 1313021109 /nfs/dbraw/zinc/02/11/09/1313021109.db2.gz UFFQBDOFBUOPJD-RBUKOAKNSA-N 2 1 338.455 2.898 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563880 1313024166 /nfs/dbraw/zinc/02/41/66/1313024166.db2.gz IJVWQIOZFKVZIP-QZTJIDSGSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563880 1313024170 /nfs/dbraw/zinc/02/41/70/1313024170.db2.gz IJVWQIOZFKVZIP-QZTJIDSGSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563880 1313024174 /nfs/dbraw/zinc/02/41/74/1313024174.db2.gz IJVWQIOZFKVZIP-QZTJIDSGSA-N 2 1 333.520 2.891 20 30 EFEDMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2ccc(C#N)cc2)CC3)cn1 ZINC001203901525 1313043312 /nfs/dbraw/zinc/04/33/12/1313043312.db2.gz OVVIDEXVAJQDKQ-UHFFFAOYSA-N 2 1 349.482 2.922 20 30 EFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910432 1313045292 /nfs/dbraw/zinc/04/52/92/1313045292.db2.gz JNPQYWDKMHNOSL-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155643 1294152683 /nfs/dbraw/zinc/15/26/83/1294152683.db2.gz PYJBKSKCZGNMQO-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155643 1294152687 /nfs/dbraw/zinc/15/26/87/1294152687.db2.gz PYJBKSKCZGNMQO-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155643 1294152690 /nfs/dbraw/zinc/15/26/90/1294152690.db2.gz PYJBKSKCZGNMQO-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367309 1294229709 /nfs/dbraw/zinc/22/97/09/1294229709.db2.gz WYBRCRFSNHQPHV-SFHVURJKSA-N 2 1 344.503 2.797 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983479 1313071841 /nfs/dbraw/zinc/07/18/41/1313071841.db2.gz TZYOPHVPVHMRJY-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935312 1294400734 /nfs/dbraw/zinc/40/07/34/1294400734.db2.gz OVGATDYQWYTEGY-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935312 1294400738 /nfs/dbraw/zinc/40/07/38/1294400738.db2.gz OVGATDYQWYTEGY-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001197158168 1294470380 /nfs/dbraw/zinc/47/03/80/1294470380.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001197158168 1294470383 /nfs/dbraw/zinc/47/03/83/1294470383.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001197158168 1294470384 /nfs/dbraw/zinc/47/03/84/1294470384.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 2 1 339.499 2.699 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000303691812 1294563803 /nfs/dbraw/zinc/56/38/03/1294563803.db2.gz AVONEHNHZSYTLK-SFHVURJKSA-N 2 1 340.471 2.954 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303782838 1294582230 /nfs/dbraw/zinc/58/22/30/1294582230.db2.gz NRABGNOCIXQPPU-QGZVFWFLSA-N 2 1 330.476 2.537 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCC2)c1 ZINC000303791335 1294583666 /nfs/dbraw/zinc/58/36/66/1294583666.db2.gz XJEKEEOXEUUPIY-GOSISDBHSA-N 2 1 330.476 2.633 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303870726 1294592865 /nfs/dbraw/zinc/59/28/65/1294592865.db2.gz BJEJNNHWGWCBAR-IXDOHACOSA-N 2 1 346.519 2.604 20 30 EFEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C[C@H](C)O1 ZINC000303871402 1294593576 /nfs/dbraw/zinc/59/35/76/1294593576.db2.gz BQDMUWAVDVNITB-IYBDPMFKSA-N 2 1 344.503 2.500 20 30 EFEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)C1 ZINC000303882584 1294598403 /nfs/dbraw/zinc/59/84/03/1294598403.db2.gz LPDHDWSVODCJGV-HNNXBMFYSA-N 2 1 348.491 2.943 20 30 EFEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000303902126 1294600892 /nfs/dbraw/zinc/60/08/92/1294600892.db2.gz SZAKWKZWKHSWDS-KRWDZBQOSA-N 2 1 332.492 2.927 20 30 EFEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912157 1294617010 /nfs/dbraw/zinc/61/70/10/1294617010.db2.gz KTGLSVNKQPXJNB-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912157 1294617019 /nfs/dbraw/zinc/61/70/19/1294617019.db2.gz KTGLSVNKQPXJNB-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912157 1294617029 /nfs/dbraw/zinc/61/70/29/1294617029.db2.gz KTGLSVNKQPXJNB-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912157 1294617035 /nfs/dbraw/zinc/61/70/35/1294617035.db2.gz KTGLSVNKQPXJNB-FUMNGEBKSA-N 2 1 343.515 2.528 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842595 1294735798 /nfs/dbraw/zinc/73/57/98/1294735798.db2.gz KPCAGKWTTOHSGM-INIZCTEOSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842595 1294735805 /nfs/dbraw/zinc/73/58/05/1294735805.db2.gz KPCAGKWTTOHSGM-INIZCTEOSA-N 2 1 330.476 2.650 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000886209289 1294763383 /nfs/dbraw/zinc/76/33/83/1294763383.db2.gz JQYOEDBIHDJYIJ-NRFANRHFSA-N 2 1 343.490 2.520 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000886209130 1294763631 /nfs/dbraw/zinc/76/36/31/1294763631.db2.gz FLRBDDIALBYUMD-TYPHKJRUSA-N 2 1 325.500 2.727 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000886209130 1294763636 /nfs/dbraw/zinc/76/36/36/1294763636.db2.gz FLRBDDIALBYUMD-TYPHKJRUSA-N 2 1 325.500 2.727 20 30 EFEDMP CCC(=O)C[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277851134 1313106823 /nfs/dbraw/zinc/10/68/23/1313106823.db2.gz CPIMTVAPCHSWGS-UHFFFAOYSA-N 2 1 342.487 2.554 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001198236282 1294947923 /nfs/dbraw/zinc/94/79/23/1294947923.db2.gz HSIGKCPECWGFCR-UHFFFAOYSA-N 2 1 347.547 2.692 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCCCCC)CC2)CC1 ZINC001198236305 1294948337 /nfs/dbraw/zinc/94/83/37/1294948337.db2.gz IJXQTDKTGOOADD-UHFFFAOYSA-N 2 1 347.547 2.836 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258711 1294960448 /nfs/dbraw/zinc/96/04/48/1294960448.db2.gz BQEMJVZWPLLUIF-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258711 1294960459 /nfs/dbraw/zinc/96/04/59/1294960459.db2.gz BQEMJVZWPLLUIF-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCOc1ccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)cc1 ZINC001204293829 1313118184 /nfs/dbraw/zinc/11/81/84/1313118184.db2.gz JANFSUCPURHPJD-UHFFFAOYSA-N 2 1 331.504 2.711 20 30 EFEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403788 1313120821 /nfs/dbraw/zinc/12/08/21/1313120821.db2.gz ZFRFJLXYAIPXQV-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403788 1313120823 /nfs/dbraw/zinc/12/08/23/1313120823.db2.gz ZFRFJLXYAIPXQV-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276360405 1295276289 /nfs/dbraw/zinc/27/62/89/1295276289.db2.gz TURMKVLQTGKWLR-FQEVSTJZSA-N 2 1 326.488 2.954 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276360405 1295276296 /nfs/dbraw/zinc/27/62/96/1295276296.db2.gz TURMKVLQTGKWLR-FQEVSTJZSA-N 2 1 326.488 2.954 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001276360405 1295276301 /nfs/dbraw/zinc/27/63/01/1295276301.db2.gz TURMKVLQTGKWLR-FQEVSTJZSA-N 2 1 326.488 2.954 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198902859 1295304210 /nfs/dbraw/zinc/30/42/10/1295304210.db2.gz QWCKFDSFBWVYON-AEFFLSMTSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676276 1313170519 /nfs/dbraw/zinc/17/05/19/1313170519.db2.gz NESZFPWQAQOYCZ-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676276 1313170520 /nfs/dbraw/zinc/17/05/20/1313170520.db2.gz NESZFPWQAQOYCZ-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676276 1313170521 /nfs/dbraw/zinc/17/05/21/1313170521.db2.gz NESZFPWQAQOYCZ-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676279 1313170551 /nfs/dbraw/zinc/17/05/51/1313170551.db2.gz NESZFPWQAQOYCZ-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676279 1313170552 /nfs/dbraw/zinc/17/05/52/1313170552.db2.gz NESZFPWQAQOYCZ-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676279 1313170554 /nfs/dbraw/zinc/17/05/54/1313170554.db2.gz NESZFPWQAQOYCZ-ZWKOTPCHSA-N 2 1 345.487 2.986 20 30 EFEDMP C[NH+]=C(NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000103337976 1295685148 /nfs/dbraw/zinc/68/51/48/1295685148.db2.gz ODHBOWMCMDMMAB-IYBDPMFKSA-N 2 1 328.504 2.992 20 30 EFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000304746121 1295747922 /nfs/dbraw/zinc/74/79/22/1295747922.db2.gz FNUVKIOLASVOTQ-NSHDSACASA-N 2 1 330.354 2.654 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304759363 1295750529 /nfs/dbraw/zinc/75/05/29/1295750529.db2.gz RAQPAYFKZXFPKV-WMZOPIPTSA-N 3 1 345.535 2.504 20 30 EFEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000304759363 1295750539 /nfs/dbraw/zinc/75/05/39/1295750539.db2.gz RAQPAYFKZXFPKV-WMZOPIPTSA-N 2 1 345.535 2.504 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000304759363 1295750548 /nfs/dbraw/zinc/75/05/48/1295750548.db2.gz RAQPAYFKZXFPKV-WMZOPIPTSA-N 2 1 345.535 2.504 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001204843904 1313202139 /nfs/dbraw/zinc/20/21/39/1313202139.db2.gz ZTSPMHHPFXUSQJ-GOSISDBHSA-N 2 1 349.519 2.877 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCCC[NH2+]1)CC2 ZINC001204847579 1313202498 /nfs/dbraw/zinc/20/24/98/1313202498.db2.gz CWQBZPDVBUFHED-KRWDZBQOSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000894 1313219574 /nfs/dbraw/zinc/21/95/74/1313219574.db2.gz MKNIBPLAKLFVQN-MJGOQNOKSA-N 2 1 335.492 2.629 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275413383 1296274550 /nfs/dbraw/zinc/27/45/50/1296274550.db2.gz JSAOGICSETUCHY-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275413383 1296274559 /nfs/dbraw/zinc/27/45/59/1296274559.db2.gz JSAOGICSETUCHY-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP CSc1nc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1C#N ZINC001275499966 1296297223 /nfs/dbraw/zinc/29/72/23/1296297223.db2.gz SBNPAQBXNHVBNL-UHFFFAOYSA-N 2 1 330.501 2.983 20 30 EFEDMP CSc1nc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC001275499966 1296297226 /nfs/dbraw/zinc/29/72/26/1296297226.db2.gz SBNPAQBXNHVBNL-UHFFFAOYSA-N 2 1 330.501 2.983 20 30 EFEDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205219393 1313253440 /nfs/dbraw/zinc/25/34/40/1313253440.db2.gz BWUOQGBWLNIGIN-JOCHJYFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750977 1313253358 /nfs/dbraw/zinc/25/33/58/1313253358.db2.gz AURKYSPLLJUVLY-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049750977 1313253363 /nfs/dbraw/zinc/25/33/63/1313253363.db2.gz AURKYSPLLJUVLY-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283411 1313264628 /nfs/dbraw/zinc/26/46/28/1313264628.db2.gz BKHIBTJWEWNOPY-OALUTQOASA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339260 1313271558 /nfs/dbraw/zinc/27/15/58/1313271558.db2.gz CVIAYXQWIGYDKD-MRXNPFEDSA-N 2 1 332.492 2.801 20 30 EFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001276242343 1296673038 /nfs/dbraw/zinc/67/30/38/1296673038.db2.gz KHMRCVYOMPIWMG-NRFANRHFSA-N 2 1 340.515 2.602 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960276510 1296689146 /nfs/dbraw/zinc/68/91/46/1296689146.db2.gz XLCZUKIHCPCMKB-HSALFYBXSA-N 2 1 341.499 2.665 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457775 1313292858 /nfs/dbraw/zinc/29/28/58/1313292858.db2.gz PKIDLZOVXXDFCY-KRWDZBQOSA-N 2 1 341.927 2.545 20 30 EFEDMP C[C@@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776163142 1296766203 /nfs/dbraw/zinc/76/62/03/1296766203.db2.gz PORJCTUFDCPTAM-QGZVFWFLSA-N 2 1 326.488 2.597 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518775 1313303470 /nfs/dbraw/zinc/30/34/70/1313303470.db2.gz KNYDOGSXJLCLTM-SJORKVTESA-N 2 1 339.911 2.584 20 30 EFEDMP CC(=O)Nc1ccc(C[N@H+]2CCC3(CN(CCCCC#N)C3)C2)cc1 ZINC001277948836 1313335629 /nfs/dbraw/zinc/33/56/29/1313335629.db2.gz NRYHYLHQRMEEHK-UHFFFAOYSA-N 2 1 340.471 2.847 20 30 EFEDMP CC(=O)Nc1ccc(CN2CCC3(C[NH+](CCCCC#N)C3)C2)cc1 ZINC001277948836 1313335632 /nfs/dbraw/zinc/33/56/32/1313335632.db2.gz NRYHYLHQRMEEHK-UHFFFAOYSA-N 2 1 340.471 2.847 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235492444 1313336076 /nfs/dbraw/zinc/33/60/76/1313336076.db2.gz IDEPDMMDPGRSOM-HXUWFJFHSA-N 2 1 333.520 2.799 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235492444 1313336079 /nfs/dbraw/zinc/33/60/79/1313336079.db2.gz IDEPDMMDPGRSOM-HXUWFJFHSA-N 2 1 333.520 2.799 20 30 EFEDMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCCCC#N)(C2)CCC3)n(C)n1 ZINC001277951996 1313347691 /nfs/dbraw/zinc/34/76/91/1313347691.db2.gz RKQIZOBFDPZTHH-MOPGFXCFSA-N 2 1 329.492 2.947 20 30 EFEDMP C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136933 1297238237 /nfs/dbraw/zinc/23/82/37/1297238237.db2.gz PKXNPLXSPRMXLS-OALUTQOASA-N 2 1 332.536 2.808 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631512 1313362923 /nfs/dbraw/zinc/36/29/23/1313362923.db2.gz ADFNCUCQJYTCLY-QZTJIDSGSA-N 2 1 332.492 2.969 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202198003 1297280069 /nfs/dbraw/zinc/28/00/69/1297280069.db2.gz ZQUNBQVSRVRSIE-WBVHZDCISA-N 2 1 344.503 2.689 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049837746 1313369139 /nfs/dbraw/zinc/36/91/39/1313369139.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837746 1313369142 /nfs/dbraw/zinc/36/91/42/1313369142.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837746 1313369145 /nfs/dbraw/zinc/36/91/45/1313369145.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722539 1313383329 /nfs/dbraw/zinc/38/33/29/1313383329.db2.gz LJTTXLGXRFTTQC-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722541 1313383462 /nfs/dbraw/zinc/38/34/62/1313383462.db2.gz LJTTXLGXRFTTQC-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846575 1313380240 /nfs/dbraw/zinc/38/02/40/1313380240.db2.gz KEEBVFJUOCJZJJ-RBUKOAKNSA-N 2 1 342.487 2.793 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846575 1313380241 /nfs/dbraw/zinc/38/02/41/1313380241.db2.gz KEEBVFJUOCJZJJ-RBUKOAKNSA-N 2 1 342.487 2.793 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640165 1297607844 /nfs/dbraw/zinc/60/78/44/1297607844.db2.gz BAZAHDMORLXMTH-CQSZACIVSA-N 2 1 334.895 2.760 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017549756 1313409002 /nfs/dbraw/zinc/40/90/02/1313409002.db2.gz LRKOCHYKAGHMBC-ZSYWTGECSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549756 1313409003 /nfs/dbraw/zinc/40/90/03/1313409003.db2.gz LRKOCHYKAGHMBC-ZSYWTGECSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549756 1313409007 /nfs/dbraw/zinc/40/90/07/1313409007.db2.gz LRKOCHYKAGHMBC-ZSYWTGECSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565128 1313416022 /nfs/dbraw/zinc/41/60/22/1313416022.db2.gz CNUQASXOKUSAEV-YESZJQIVSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565128 1313416024 /nfs/dbraw/zinc/41/60/24/1313416024.db2.gz CNUQASXOKUSAEV-YESZJQIVSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206273896 1313429336 /nfs/dbraw/zinc/42/93/36/1313429336.db2.gz CTDMPEOLLMIJRR-IBGZPJMESA-N 2 1 339.499 2.603 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615573 1297843500 /nfs/dbraw/zinc/84/35/00/1297843500.db2.gz JMZCPLQXWAGLDI-HUUCEWRRSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615573 1297843513 /nfs/dbraw/zinc/84/35/13/1297843513.db2.gz JMZCPLQXWAGLDI-HUUCEWRRSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001206308005 1313433818 /nfs/dbraw/zinc/43/38/18/1313433818.db2.gz TZOOLHCFOSWUEJ-UHFFFAOYSA-N 2 1 343.515 2.565 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439792 1298010261 /nfs/dbraw/zinc/01/02/61/1298010261.db2.gz VSZMTNKTGQENPC-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439792 1298010269 /nfs/dbraw/zinc/01/02/69/1298010269.db2.gz VSZMTNKTGQENPC-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439792 1298010277 /nfs/dbraw/zinc/01/02/77/1298010277.db2.gz VSZMTNKTGQENPC-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP N#Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236321304 1313469099 /nfs/dbraw/zinc/46/90/99/1313469099.db2.gz HUTJHNLIQMKGAL-OKILXGFUSA-N 2 1 334.261 2.752 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547030 1313473502 /nfs/dbraw/zinc/47/35/02/1313473502.db2.gz BSXVWGBEDIQJIH-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180410 1298256173 /nfs/dbraw/zinc/25/61/73/1298256173.db2.gz GVZUDQUVGBTLKN-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181348 1298259632 /nfs/dbraw/zinc/25/96/32/1298259632.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181348 1298259641 /nfs/dbraw/zinc/25/96/41/1298259641.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181348 1298259655 /nfs/dbraw/zinc/25/96/55/1298259655.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961184738 1298268476 /nfs/dbraw/zinc/26/84/76/1298268476.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184738 1298268487 /nfs/dbraw/zinc/26/84/87/1298268487.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184738 1298268498 /nfs/dbraw/zinc/26/84/98/1298268498.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189201 1298275517 /nfs/dbraw/zinc/27/55/17/1298275517.db2.gz YKLNGVGRVNAGRF-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921515 1313487143 /nfs/dbraw/zinc/48/71/43/1313487143.db2.gz WSTHMRXXTZWZLI-IAGOWNOFSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049921515 1313487144 /nfs/dbraw/zinc/48/71/44/1313487144.db2.gz WSTHMRXXTZWZLI-IAGOWNOFSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202042 1298313607 /nfs/dbraw/zinc/31/36/07/1298313607.db2.gz SWVDIBQSSXJRQZ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202042 1298313614 /nfs/dbraw/zinc/31/36/14/1298313614.db2.gz SWVDIBQSSXJRQZ-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206007 1298323172 /nfs/dbraw/zinc/32/31/72/1298323172.db2.gz WWCHDIGRQJCZRT-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230165 1298371997 /nfs/dbraw/zinc/37/19/97/1298371997.db2.gz KPDZTPLTQAFKIB-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230165 1298372006 /nfs/dbraw/zinc/37/20/06/1298372006.db2.gz KPDZTPLTQAFKIB-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230165 1298372015 /nfs/dbraw/zinc/37/20/15/1298372015.db2.gz KPDZTPLTQAFKIB-RBUKOAKNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231270 1298377401 /nfs/dbraw/zinc/37/74/01/1298377401.db2.gz NBAVQVLAGMCYOL-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231270 1298377410 /nfs/dbraw/zinc/37/74/10/1298377410.db2.gz NBAVQVLAGMCYOL-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231270 1298377417 /nfs/dbraw/zinc/37/74/17/1298377417.db2.gz NBAVQVLAGMCYOL-MOPGFXCFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231272 1298377462 /nfs/dbraw/zinc/37/74/62/1298377462.db2.gz NBAVQVLAGMCYOL-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231272 1298377472 /nfs/dbraw/zinc/37/74/72/1298377472.db2.gz NBAVQVLAGMCYOL-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961231272 1298377479 /nfs/dbraw/zinc/37/74/79/1298377479.db2.gz NBAVQVLAGMCYOL-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252442 1298423407 /nfs/dbraw/zinc/42/34/07/1298423407.db2.gz OEBCNLSFENMROB-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268200 1298454454 /nfs/dbraw/zinc/45/44/54/1298454454.db2.gz FTJCWXQOQSLULY-OALUTQOASA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290208 1298501788 /nfs/dbraw/zinc/50/17/88/1298501788.db2.gz CSESZCPOEAEXBT-WOJBJXKFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961338508 1298577623 /nfs/dbraw/zinc/57/76/23/1298577623.db2.gz FZCYBIPCVNPZJB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338508 1298577626 /nfs/dbraw/zinc/57/76/26/1298577626.db2.gz FZCYBIPCVNPZJB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338508 1298577632 /nfs/dbraw/zinc/57/76/32/1298577632.db2.gz FZCYBIPCVNPZJB-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961365358 1298621851 /nfs/dbraw/zinc/62/18/51/1298621851.db2.gz GPYWRVDDNZQYMC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365358 1298621857 /nfs/dbraw/zinc/62/18/57/1298621857.db2.gz GPYWRVDDNZQYMC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365358 1298621868 /nfs/dbraw/zinc/62/18/68/1298621868.db2.gz GPYWRVDDNZQYMC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370841 1298631064 /nfs/dbraw/zinc/63/10/64/1298631064.db2.gz DYZMMGMUDIOYHT-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370841 1298631081 /nfs/dbraw/zinc/63/10/81/1298631081.db2.gz DYZMMGMUDIOYHT-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370841 1298631097 /nfs/dbraw/zinc/63/10/97/1298631097.db2.gz DYZMMGMUDIOYHT-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869152 1313530058 /nfs/dbraw/zinc/53/00/58/1313530058.db2.gz VLBWNRPGTFZBDQ-FQEVSTJZSA-N 2 1 341.499 2.531 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372950 1298635674 /nfs/dbraw/zinc/63/56/74/1298635674.db2.gz FDXZHQUNJQBFFT-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373569 1298638880 /nfs/dbraw/zinc/63/88/80/1298638880.db2.gz HUNCPHFNVIXDEF-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869153 1313530509 /nfs/dbraw/zinc/53/05/09/1313530509.db2.gz VLBWNRPGTFZBDQ-HXUWFJFHSA-N 2 1 341.499 2.531 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961375033 1298642248 /nfs/dbraw/zinc/64/22/48/1298642248.db2.gz NZXYPMXTBLXRFQ-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961376246 1298643588 /nfs/dbraw/zinc/64/35/88/1298643588.db2.gz RFTVCZNRADCMJT-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961376246 1298643598 /nfs/dbraw/zinc/64/35/98/1298643598.db2.gz RFTVCZNRADCMJT-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961376246 1298643613 /nfs/dbraw/zinc/64/36/13/1298643613.db2.gz RFTVCZNRADCMJT-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376496 1298645466 /nfs/dbraw/zinc/64/54/66/1298645466.db2.gz TYTGQJPOZPDDMT-PMACEKPBSA-N 2 1 347.547 2.547 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376803 1298646007 /nfs/dbraw/zinc/64/60/07/1298646007.db2.gz DHGAEYVPDATVNP-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376803 1298645993 /nfs/dbraw/zinc/64/59/93/1298645993.db2.gz DHGAEYVPDATVNP-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376803 1298646001 /nfs/dbraw/zinc/64/60/01/1298646001.db2.gz DHGAEYVPDATVNP-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395482 1298683639 /nfs/dbraw/zinc/68/36/39/1298683639.db2.gz XSJZIKWOSJFMFC-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961402380 1298694476 /nfs/dbraw/zinc/69/44/76/1298694476.db2.gz RGYYSWSYKMSEBN-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961403521 1298696080 /nfs/dbraw/zinc/69/60/80/1298696080.db2.gz UUKOBLRUBLDPJV-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407000 1298701083 /nfs/dbraw/zinc/70/10/83/1298701083.db2.gz UKCJDJZZYXMSMP-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407000 1298701091 /nfs/dbraw/zinc/70/10/91/1298701091.db2.gz UKCJDJZZYXMSMP-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407000 1298701100 /nfs/dbraw/zinc/70/11/00/1298701100.db2.gz UKCJDJZZYXMSMP-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410076 1298704760 /nfs/dbraw/zinc/70/47/60/1298704760.db2.gz FDFKALPDNAFSLR-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410076 1298704771 /nfs/dbraw/zinc/70/47/71/1298704771.db2.gz FDFKALPDNAFSLR-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410076 1298704777 /nfs/dbraw/zinc/70/47/77/1298704777.db2.gz FDFKALPDNAFSLR-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431285 1298738806 /nfs/dbraw/zinc/73/88/06/1298738806.db2.gz JQNXXCHGKXKEEM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431285 1298738814 /nfs/dbraw/zinc/73/88/14/1298738814.db2.gz JQNXXCHGKXKEEM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431285 1298738822 /nfs/dbraw/zinc/73/88/22/1298738822.db2.gz JQNXXCHGKXKEEM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432184 1298739545 /nfs/dbraw/zinc/73/95/45/1298739545.db2.gz PAJAMSLGEWDXFK-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961444071 1298755566 /nfs/dbraw/zinc/75/55/66/1298755566.db2.gz ZACFYQNJRSYBFX-HXUWFJFHSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017835927 1313548150 /nfs/dbraw/zinc/54/81/50/1313548150.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835927 1313548153 /nfs/dbraw/zinc/54/81/53/1313548153.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835927 1313548156 /nfs/dbraw/zinc/54/81/56/1313548156.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c(F)c2)CC1 ZINC001236939529 1313557079 /nfs/dbraw/zinc/55/70/79/1313557079.db2.gz SAMWVMUJTRCXOJ-OHFIKTQHSA-N 2 1 342.462 2.844 20 30 EFEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206929869 1313557237 /nfs/dbraw/zinc/55/72/37/1313557237.db2.gz GQARKFXXYMYTSH-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793245 1298868616 /nfs/dbraw/zinc/86/86/16/1298868616.db2.gz MHEGAJJRCSTSTQ-IAGOWNOFSA-N 2 1 344.503 2.504 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980234 1313579862 /nfs/dbraw/zinc/57/98/62/1313579862.db2.gz MXDDSPRAUJWWHE-BHIYHBOVSA-N 2 1 335.536 2.735 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006929 1313587940 /nfs/dbraw/zinc/58/79/40/1313587940.db2.gz CNPHXHBVAQVVMQ-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006929 1313587944 /nfs/dbraw/zinc/58/79/44/1313587944.db2.gz CNPHXHBVAQVVMQ-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661311 1300012113 /nfs/dbraw/zinc/01/21/13/1300012113.db2.gz QAAGZNLSYOWWGY-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661311 1300012122 /nfs/dbraw/zinc/01/21/22/1300012122.db2.gz QAAGZNLSYOWWGY-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661311 1300012131 /nfs/dbraw/zinc/01/21/31/1300012131.db2.gz QAAGZNLSYOWWGY-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416369 1300148077 /nfs/dbraw/zinc/14/80/77/1300148077.db2.gz NTFDSEYCFFATEG-QRVBRYPASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)CC1 ZINC001207391990 1313673598 /nfs/dbraw/zinc/67/35/98/1313673598.db2.gz SLOHBAGABFVOKO-UHFFFAOYSA-N 2 1 349.519 2.829 20 30 EFEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001278129235 1313688242 /nfs/dbraw/zinc/68/82/42/1313688242.db2.gz XXICRIOHXNPPGZ-HXUWFJFHSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322625 1300597935 /nfs/dbraw/zinc/59/79/35/1300597935.db2.gz HVPDQEKWVYOOLE-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328045 1300612585 /nfs/dbraw/zinc/61/25/85/1300612585.db2.gz KZLDCJUZMBKDAU-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345249 1300649617 /nfs/dbraw/zinc/64/96/17/1300649617.db2.gz FKULXKZRADWFCV-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348610 1300658179 /nfs/dbraw/zinc/65/81/79/1300658179.db2.gz ZOMNVAAKJDOAJW-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547299 1313713687 /nfs/dbraw/zinc/71/36/87/1313713687.db2.gz RVNFNVUJOONNKF-KZNAEPCWSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547299 1313713691 /nfs/dbraw/zinc/71/36/91/1313713691.db2.gz RVNFNVUJOONNKF-KZNAEPCWSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387963 1300749682 /nfs/dbraw/zinc/74/96/82/1300749682.db2.gz XILSAKVILXTDRN-IRXDYDNUSA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963387963 1300749688 /nfs/dbraw/zinc/74/96/88/1300749688.db2.gz XILSAKVILXTDRN-IRXDYDNUSA-N 2 1 344.503 2.966 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417626 1300811402 /nfs/dbraw/zinc/81/14/02/1300811402.db2.gz PBMXYXFJSPVYAD-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963417626 1300811419 /nfs/dbraw/zinc/81/14/19/1300811419.db2.gz PBMXYXFJSPVYAD-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429614 1300836841 /nfs/dbraw/zinc/83/68/41/1300836841.db2.gz QHLSTGGQNLFIEE-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432056 1300843115 /nfs/dbraw/zinc/84/31/15/1300843115.db2.gz ZTDHGVBVSAHIDI-PMACEKPBSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000963845243 1301369137 /nfs/dbraw/zinc/36/91/37/1301369137.db2.gz ZLTAWBCKCVZLJB-WWDZGPRUSA-N 2 1 344.503 2.689 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000963901948 1301451305 /nfs/dbraw/zinc/45/13/05/1301451305.db2.gz DLYMQKBCCYXAIR-UHFFFAOYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000963901956 1301452534 /nfs/dbraw/zinc/45/25/34/1301452534.db2.gz DPMSBJZJZFJNRL-RJYAGPCLSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000963913402 1301468295 /nfs/dbraw/zinc/46/82/95/1301468295.db2.gz XWABMJBYEVLDSD-QQFBHYJXSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963933454 1301492177 /nfs/dbraw/zinc/49/21/77/1301492177.db2.gz LKMYSCGRPSXOLK-UFQJCFOOSA-N 2 1 333.520 2.557 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868152 1313792324 /nfs/dbraw/zinc/79/23/24/1313792324.db2.gz KHCVMKSFDDHTMZ-IIDMSEBBSA-N 2 1 326.444 2.739 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504485 1301791901 /nfs/dbraw/zinc/79/19/01/1301791901.db2.gz UGHAVLHLSVIWCU-IBGZPJMESA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000964438680 1301836450 /nfs/dbraw/zinc/83/64/50/1301836450.db2.gz ZCATYNRYDLKGMS-JCYILVPMSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110592 1313849859 /nfs/dbraw/zinc/84/98/59/1313849859.db2.gz WGQVPZBIZLGCNS-AZUAARDMSA-N 2 1 336.520 2.792 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965345589 1303143770 /nfs/dbraw/zinc/14/37/70/1303143770.db2.gz APNUDAWBAWKUPF-QAELIBMJSA-N 2 1 333.520 2.842 20 30 EFEDMP C=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 ZINC001097209019 1313909189 /nfs/dbraw/zinc/90/91/89/1313909189.db2.gz AXJNECLSNWAMID-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=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 ZINC001097209019 1313909192 /nfs/dbraw/zinc/90/91/92/1313909192.db2.gz AXJNECLSNWAMID-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=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 ZINC001097209019 1313909196 /nfs/dbraw/zinc/90/91/96/1313909196.db2.gz AXJNECLSNWAMID-MKXGPGLRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=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 ZINC001097220628 1313915731 /nfs/dbraw/zinc/91/57/31/1313915731.db2.gz WLKUNTIDYMFWKO-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=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 ZINC001097220628 1313915732 /nfs/dbraw/zinc/91/57/32/1313915732.db2.gz WLKUNTIDYMFWKO-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP C=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 ZINC001097220628 1313915733 /nfs/dbraw/zinc/91/57/33/1313915733.db2.gz WLKUNTIDYMFWKO-MANSERQUSA-N 2 1 333.520 2.937 20 30 EFEDMP CCCCCCCCNC(=S)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001239384443 1313932058 /nfs/dbraw/zinc/93/20/58/1313932058.db2.gz NHQDGJGSHNGJSZ-INIZCTEOSA-N 2 1 340.581 2.637 20 30 EFEDMP CCCCCCCCNC(=S)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001239384443 1313932059 /nfs/dbraw/zinc/93/20/59/1313932059.db2.gz NHQDGJGSHNGJSZ-INIZCTEOSA-N 2 1 340.581 2.637 20 30 EFEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001114401971 1303863578 /nfs/dbraw/zinc/86/35/78/1303863578.db2.gz BEKUMPVWAARHIF-VNTMZGSJSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114401971 1303863583 /nfs/dbraw/zinc/86/35/83/1303863583.db2.gz BEKUMPVWAARHIF-VNTMZGSJSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114401971 1303863588 /nfs/dbraw/zinc/86/35/88/1303863588.db2.gz BEKUMPVWAARHIF-VNTMZGSJSA-N 2 1 347.547 2.757 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001208593295 1313970736 /nfs/dbraw/zinc/97/07/36/1313970736.db2.gz GQILKBAKVNJVRQ-HXUWFJFHSA-N 2 1 349.519 2.829 20 30 EFEDMP C#CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1OC ZINC001276576519 1314000428 /nfs/dbraw/zinc/00/04/28/1314000428.db2.gz GMJIIZMBPODPLT-UHFFFAOYSA-N 2 1 328.456 2.625 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208722181 1314002378 /nfs/dbraw/zinc/00/23/78/1314002378.db2.gz PXCGSEZVXWPCHL-BRSBDYLESA-N 2 1 346.519 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425222 1304978733 /nfs/dbraw/zinc/97/87/33/1304978733.db2.gz YOPMAZXWBFWMCE-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP N#Cc1ccc(CCC[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208859821 1314031595 /nfs/dbraw/zinc/03/15/95/1314031595.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 1 346.478 2.950 20 30 EFEDMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925691 1314048204 /nfs/dbraw/zinc/04/82/04/1314048204.db2.gz NAIBRJSHBKCCHD-OAQYLSRUSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925691 1314048206 /nfs/dbraw/zinc/04/82/06/1314048206.db2.gz NAIBRJSHBKCCHD-OAQYLSRUSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925691 1314048207 /nfs/dbraw/zinc/04/82/07/1314048207.db2.gz NAIBRJSHBKCCHD-OAQYLSRUSA-N 2 1 341.499 2.924 20 30 EFEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208925691 1314048208 /nfs/dbraw/zinc/04/82/08/1314048208.db2.gz NAIBRJSHBKCCHD-OAQYLSRUSA-N 2 1 341.499 2.924 20 30 EFEDMP C=CCN(CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1)C(=O)OCC ZINC001209020789 1314071912 /nfs/dbraw/zinc/07/19/12/1314071912.db2.gz BXGOERQVPPZCEF-UHFFFAOYSA-N 2 1 325.497 2.683 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058998 1305773924 /nfs/dbraw/zinc/77/39/24/1305773924.db2.gz NYSMTXUKNZSTTC-WBVHZDCISA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058998 1305773930 /nfs/dbraw/zinc/77/39/30/1305773930.db2.gz NYSMTXUKNZSTTC-WBVHZDCISA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001246308310 1314608530 /nfs/dbraw/zinc/60/85/30/1314608530.db2.gz PTZODIMWJMVNBZ-RUXDESIVSA-N 2 1 336.398 2.924 20 30 EFEDMP C=CCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209202559 1314114955 /nfs/dbraw/zinc/11/49/55/1314114955.db2.gz FENSTCJRPQHYGL-WOJBJXKFSA-N 2 1 335.536 2.604 20 30 EFEDMP C=CCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209202559 1314114957 /nfs/dbraw/zinc/11/49/57/1314114957.db2.gz FENSTCJRPQHYGL-WOJBJXKFSA-N 2 1 335.536 2.604 20 30 EFEDMP C=CCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209202559 1314114958 /nfs/dbraw/zinc/11/49/58/1314114958.db2.gz FENSTCJRPQHYGL-WOJBJXKFSA-N 2 1 335.536 2.604 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516680 1306422631 /nfs/dbraw/zinc/42/26/31/1306422631.db2.gz DLBXLARVDBLALO-PXNSSMCTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516681 1306423057 /nfs/dbraw/zinc/42/30/57/1306423057.db2.gz DLBXLARVDBLALO-XLIONFOSSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552077 1306448741 /nfs/dbraw/zinc/44/87/41/1306448741.db2.gz BSIQRCBFUTZLRY-DOTOQJQBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552077 1306448745 /nfs/dbraw/zinc/44/87/45/1306448745.db2.gz BSIQRCBFUTZLRY-DOTOQJQBSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877583 1306748923 /nfs/dbraw/zinc/74/89/23/1306748923.db2.gz YQMLMVPOMMTUAQ-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877583 1306748929 /nfs/dbraw/zinc/74/89/29/1306748929.db2.gz YQMLMVPOMMTUAQ-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCN(CC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001276635496 1314144887 /nfs/dbraw/zinc/14/48/87/1314144887.db2.gz MYIHFYHIHZWWBF-CALCHBBNSA-N 2 1 337.508 2.683 20 30 EFEDMP C=CCN(CC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001276635496 1314144888 /nfs/dbraw/zinc/14/48/88/1314144888.db2.gz MYIHFYHIHZWWBF-CALCHBBNSA-N 2 1 337.508 2.683 20 30 EFEDMP C=CCN(CC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001276635496 1314144889 /nfs/dbraw/zinc/14/48/89/1314144889.db2.gz MYIHFYHIHZWWBF-CALCHBBNSA-N 2 1 337.508 2.683 20 30 EFEDMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882311 1306754517 /nfs/dbraw/zinc/75/45/17/1306754517.db2.gz LJBGKCRBCPIQAJ-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968954311 1306835651 /nfs/dbraw/zinc/83/56/51/1306835651.db2.gz HGECTIZGQDNIBO-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968954311 1306835652 /nfs/dbraw/zinc/83/56/52/1306835652.db2.gz HGECTIZGQDNIBO-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969001996 1306877020 /nfs/dbraw/zinc/87/70/20/1306877020.db2.gz IEMJJOWHGIROJT-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969001996 1306877027 /nfs/dbraw/zinc/87/70/27/1306877027.db2.gz IEMJJOWHGIROJT-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969001996 1306877033 /nfs/dbraw/zinc/87/70/33/1306877033.db2.gz IEMJJOWHGIROJT-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022257 1306898249 /nfs/dbraw/zinc/89/82/49/1306898249.db2.gz ALPHLTZVINWKIA-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022257 1306898252 /nfs/dbraw/zinc/89/82/52/1306898252.db2.gz ALPHLTZVINWKIA-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058812 1306932000 /nfs/dbraw/zinc/93/20/00/1306932000.db2.gz AHIXHADOOGRINL-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969058812 1306932005 /nfs/dbraw/zinc/93/20/05/1306932005.db2.gz AHIXHADOOGRINL-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969058812 1306932010 /nfs/dbraw/zinc/93/20/10/1306932010.db2.gz AHIXHADOOGRINL-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059386 1306932678 /nfs/dbraw/zinc/93/26/78/1306932678.db2.gz LQOWQXMCEXHXAR-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059386 1306932682 /nfs/dbraw/zinc/93/26/82/1306932682.db2.gz LQOWQXMCEXHXAR-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059386 1306932686 /nfs/dbraw/zinc/93/26/86/1306932686.db2.gz LQOWQXMCEXHXAR-MOPGFXCFSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000969108701 1306984334 /nfs/dbraw/zinc/98/43/34/1306984334.db2.gz JUYOSTKWOPYQSP-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108701 1306984339 /nfs/dbraw/zinc/98/43/39/1306984339.db2.gz JUYOSTKWOPYQSP-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108701 1306984343 /nfs/dbraw/zinc/98/43/43/1306984343.db2.gz JUYOSTKWOPYQSP-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCCCCC[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209427237 1314161936 /nfs/dbraw/zinc/16/19/36/1314161936.db2.gz LNGNSWNEZGLCRG-UHFFFAOYSA-N 2 1 334.508 2.913 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209448346 1314164035 /nfs/dbraw/zinc/16/40/35/1314164035.db2.gz PCIAQEFXQQFGCA-FQEVSTJZSA-N 2 1 349.519 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437519 1307338019 /nfs/dbraw/zinc/33/80/19/1307338019.db2.gz BDQDQLNYEIHTPO-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437519 1307338023 /nfs/dbraw/zinc/33/80/23/1307338023.db2.gz BDQDQLNYEIHTPO-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061071 1307792251 /nfs/dbraw/zinc/79/22/51/1307792251.db2.gz GPGLHVDZIUCNKR-GOSISDBHSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921969 1307899834 /nfs/dbraw/zinc/89/98/34/1307899834.db2.gz WMAXWZYIPCIGAA-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921969 1307899841 /nfs/dbraw/zinc/89/98/41/1307899841.db2.gz WMAXWZYIPCIGAA-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921969 1307899846 /nfs/dbraw/zinc/89/98/46/1307899846.db2.gz WMAXWZYIPCIGAA-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045936172 1307934217 /nfs/dbraw/zinc/93/42/17/1307934217.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045936172 1307934222 /nfs/dbraw/zinc/93/42/22/1307934222.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045936172 1307934226 /nfs/dbraw/zinc/93/42/26/1307934226.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045936170 1307935146 /nfs/dbraw/zinc/93/51/46/1307935146.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045936170 1307935147 /nfs/dbraw/zinc/93/51/47/1307935147.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045936170 1307935149 /nfs/dbraw/zinc/93/51/49/1307935149.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939118 1307943074 /nfs/dbraw/zinc/94/30/74/1307943074.db2.gz VXFFYJZHAQOVER-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939118 1307943076 /nfs/dbraw/zinc/94/30/76/1307943076.db2.gz VXFFYJZHAQOVER-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939118 1307943080 /nfs/dbraw/zinc/94/30/80/1307943080.db2.gz VXFFYJZHAQOVER-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941066 1307948469 /nfs/dbraw/zinc/94/84/69/1307948469.db2.gz FMKBUASALYTYHO-TZIWHRDSSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941063 1307949255 /nfs/dbraw/zinc/94/92/55/1307949255.db2.gz FMKBUASALYTYHO-CTNGQTDRSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943235 1307956073 /nfs/dbraw/zinc/95/60/73/1307956073.db2.gz HDAIRENTWJUSAK-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943032 1307956117 /nfs/dbraw/zinc/95/61/17/1307956117.db2.gz FJQMFQPOHONEBV-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943031 1307956667 /nfs/dbraw/zinc/95/66/67/1307956667.db2.gz FJQMFQPOHONEBV-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943034 1307956859 /nfs/dbraw/zinc/95/68/59/1307956859.db2.gz FJQMFQPOHONEBV-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945165 1307962691 /nfs/dbraw/zinc/96/26/91/1307962691.db2.gz NUEVKUWBHCAZHS-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945165 1307962696 /nfs/dbraw/zinc/96/26/96/1307962696.db2.gz NUEVKUWBHCAZHS-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C2 ZINC001045945012 1307963033 /nfs/dbraw/zinc/96/30/33/1307963033.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 1 342.487 2.794 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945012 1307963037 /nfs/dbraw/zinc/96/30/37/1307963037.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 1 342.487 2.794 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945012 1307963042 /nfs/dbraw/zinc/96/30/42/1307963042.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 1 342.487 2.794 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947583 1307970135 /nfs/dbraw/zinc/97/01/35/1307970135.db2.gz MTDJBBCKRRFJKU-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949140 1307974697 /nfs/dbraw/zinc/97/46/97/1307974697.db2.gz YMSJTAQRZABQCN-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949140 1307974700 /nfs/dbraw/zinc/97/47/00/1307974700.db2.gz YMSJTAQRZABQCN-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949140 1307974704 /nfs/dbraw/zinc/97/47/04/1307974704.db2.gz YMSJTAQRZABQCN-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949142 1307975124 /nfs/dbraw/zinc/97/51/24/1307975124.db2.gz YMSJTAQRZABQCN-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949142 1307975129 /nfs/dbraw/zinc/97/51/29/1307975129.db2.gz YMSJTAQRZABQCN-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949142 1307975133 /nfs/dbraw/zinc/97/51/33/1307975133.db2.gz YMSJTAQRZABQCN-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950517 1307978969 /nfs/dbraw/zinc/97/89/69/1307978969.db2.gz DTCDECXHQBZWHJ-FQEVSTJZSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951061 1307980107 /nfs/dbraw/zinc/98/01/07/1307980107.db2.gz SPFQWHXCSHVVOR-FQEVSTJZSA-N 2 1 345.531 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951497 1307982732 /nfs/dbraw/zinc/98/27/32/1307982732.db2.gz FWBQSPZPKFWSHH-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045952479 1307984625 /nfs/dbraw/zinc/98/46/25/1307984625.db2.gz RAGUIHKPRRNKMG-HXUWFJFHSA-N 2 1 344.503 2.862 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045952479 1307984629 /nfs/dbraw/zinc/98/46/29/1307984629.db2.gz RAGUIHKPRRNKMG-HXUWFJFHSA-N 2 1 344.503 2.862 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953331 1307987313 /nfs/dbraw/zinc/98/73/13/1307987313.db2.gz YENGFOLUWHUPGM-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1ccnc1)C2 ZINC001045958362 1307998684 /nfs/dbraw/zinc/99/86/84/1307998684.db2.gz QUXROTPIAGHXAM-LJQANCHMSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965045 1308018032 /nfs/dbraw/zinc/01/80/32/1308018032.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965045 1308018035 /nfs/dbraw/zinc/01/80/35/1308018035.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965045 1308018039 /nfs/dbraw/zinc/01/80/39/1308018039.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976021 1308050303 /nfs/dbraw/zinc/05/03/03/1308050303.db2.gz OUEQEYAVGPJDEJ-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979400 1308062703 /nfs/dbraw/zinc/06/27/03/1308062703.db2.gz DCBZPKLCPLPENZ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979400 1308062704 /nfs/dbraw/zinc/06/27/04/1308062704.db2.gz DCBZPKLCPLPENZ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979400 1308062708 /nfs/dbraw/zinc/06/27/08/1308062708.db2.gz DCBZPKLCPLPENZ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985930 1308085704 /nfs/dbraw/zinc/08/57/04/1308085704.db2.gz FJJZHMKVHPHRIL-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985759 1308085801 /nfs/dbraw/zinc/08/58/01/1308085801.db2.gz BRODTHCDYKBJMG-NRFANRHFSA-N 2 1 345.531 2.590 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985934 1308086170 /nfs/dbraw/zinc/08/61/70/1308086170.db2.gz FJJZHMKVHPHRIL-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986434 1308086917 /nfs/dbraw/zinc/08/69/17/1308086917.db2.gz QPVFMGMHEZWJHE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986434 1308086922 /nfs/dbraw/zinc/08/69/22/1308086922.db2.gz QPVFMGMHEZWJHE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986434 1308086926 /nfs/dbraw/zinc/08/69/26/1308086926.db2.gz QPVFMGMHEZWJHE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133378 1314285883 /nfs/dbraw/zinc/28/58/83/1314285883.db2.gz OFIKLIUUXPWLBT-FUHWJXTLSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133379 1314285889 /nfs/dbraw/zinc/28/58/89/1314285889.db2.gz OFIKLIUUXPWLBT-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210242905 1314300094 /nfs/dbraw/zinc/30/00/94/1314300094.db2.gz CEUUEXAXSVMZPL-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210242905 1314300098 /nfs/dbraw/zinc/30/00/98/1314300098.db2.gz CEUUEXAXSVMZPL-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210242905 1314300102 /nfs/dbraw/zinc/30/01/02/1314300102.db2.gz CEUUEXAXSVMZPL-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210242905 1314300107 /nfs/dbraw/zinc/30/01/07/1314300107.db2.gz CEUUEXAXSVMZPL-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046944152 1309732991 /nfs/dbraw/zinc/73/29/91/1309732991.db2.gz GHIRWGBOIDUHLN-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046944152 1309733000 /nfs/dbraw/zinc/73/30/00/1309733000.db2.gz GHIRWGBOIDUHLN-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001046946115 1309735857 /nfs/dbraw/zinc/73/58/57/1309735857.db2.gz SJXMXEYACUNNJB-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946115 1309735860 /nfs/dbraw/zinc/73/58/60/1309735860.db2.gz SJXMXEYACUNNJB-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946115 1309735863 /nfs/dbraw/zinc/73/58/63/1309735863.db2.gz SJXMXEYACUNNJB-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046954877 1309759497 /nfs/dbraw/zinc/75/94/97/1309759497.db2.gz UQFIENFUWDVHDG-OAHLLOKOSA-N 2 1 348.397 2.597 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046996812 1309887062 /nfs/dbraw/zinc/88/70/62/1309887062.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046996812 1309887070 /nfs/dbraw/zinc/88/70/70/1309887070.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046996812 1309887076 /nfs/dbraw/zinc/88/70/76/1309887076.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244466 1310400376 /nfs/dbraw/zinc/40/03/76/1310400376.db2.gz REOWQXVCNNGXFV-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047249134 1310413879 /nfs/dbraw/zinc/41/38/79/1310413879.db2.gz RYGFYSSUGFVPFY-IHPCNDPISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257637 1310433405 /nfs/dbraw/zinc/43/34/05/1310433405.db2.gz SMKRDJNBHOMFGH-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258276 1310436367 /nfs/dbraw/zinc/43/63/67/1310436367.db2.gz YXUMZCRMOHIEBG-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258279 1310436396 /nfs/dbraw/zinc/43/63/96/1310436396.db2.gz YXUMZCRMOHIEBG-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713995 1311017727 /nfs/dbraw/zinc/01/77/27/1311017727.db2.gz ILMSMRSHFWRWRN-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813754 1311036787 /nfs/dbraw/zinc/03/67/87/1311036787.db2.gz YEKPVWMOYRZXAO-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813754 1311036790 /nfs/dbraw/zinc/03/67/90/1311036790.db2.gz YEKPVWMOYRZXAO-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813754 1311036794 /nfs/dbraw/zinc/03/67/94/1311036794.db2.gz YEKPVWMOYRZXAO-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873102 1311046068 /nfs/dbraw/zinc/04/60/68/1311046068.db2.gz PSNAUCNROKMFLG-BHIYHBOVSA-N 2 1 344.503 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873102 1311046071 /nfs/dbraw/zinc/04/60/71/1311046071.db2.gz PSNAUCNROKMFLG-BHIYHBOVSA-N 2 1 344.503 2.859 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098870998 1311048469 /nfs/dbraw/zinc/04/84/69/1311048469.db2.gz YFPSFVHLQJTZLS-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098870998 1311048471 /nfs/dbraw/zinc/04/84/71/1311048471.db2.gz YFPSFVHLQJTZLS-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098870998 1311048475 /nfs/dbraw/zinc/04/84/75/1311048475.db2.gz YFPSFVHLQJTZLS-BJLQDIEVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910429 1311052169 /nfs/dbraw/zinc/05/21/69/1311052169.db2.gz AMGCGVUZLRQOMT-RTBURBONSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026838 1311070366 /nfs/dbraw/zinc/07/03/66/1311070366.db2.gz AGWXZEBPCJPBDU-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001222051105 1311074329 /nfs/dbraw/zinc/07/43/29/1311074329.db2.gz NIZZWQRXJHPZLP-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001222051105 1311074332 /nfs/dbraw/zinc/07/43/32/1311074332.db2.gz NIZZWQRXJHPZLP-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340787 1311088538 /nfs/dbraw/zinc/08/85/38/1311088538.db2.gz ZFNYVQGYVXAESE-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340787 1311088541 /nfs/dbraw/zinc/08/85/41/1311088541.db2.gz ZFNYVQGYVXAESE-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526660 1311100534 /nfs/dbraw/zinc/10/05/34/1311100534.db2.gz AAFBRQIPCHMZDN-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443093 1311132897 /nfs/dbraw/zinc/13/28/97/1311132897.db2.gz QXSAKJZUBKCJTR-QYZOEREBSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443093 1311132900 /nfs/dbraw/zinc/13/29/00/1311132900.db2.gz QXSAKJZUBKCJTR-QYZOEREBSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443093 1311132901 /nfs/dbraw/zinc/13/29/01/1311132901.db2.gz QXSAKJZUBKCJTR-QYZOEREBSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222940939 1311201496 /nfs/dbraw/zinc/20/14/96/1311201496.db2.gz AGXVCYYCIQMJDT-SQNIBIBYSA-N 2 1 330.476 2.579 20 30 EFEDMP COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1C ZINC001276856594 1311209526 /nfs/dbraw/zinc/20/95/26/1311209526.db2.gz DRJADGRYIDGGND-IHWFROFDSA-N 2 1 343.471 2.572 20 30 EFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276858104 1311211607 /nfs/dbraw/zinc/21/16/07/1311211607.db2.gz BDJKRHLEPUNNIL-OAQYLSRUSA-N 2 1 340.515 2.716 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223203067 1311229912 /nfs/dbraw/zinc/22/99/12/1311229912.db2.gz QGAHIASNVNRJDQ-UHFFFAOYSA-N 2 1 341.927 2.832 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258956 1311233775 /nfs/dbraw/zinc/23/37/75/1311233775.db2.gz KUILMJPRCZUJOM-INIZCTEOSA-N 2 1 332.492 2.801 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237316 /nfs/dbraw/zinc/23/73/16/1311237316.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237319 /nfs/dbraw/zinc/23/73/19/1311237319.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237323 /nfs/dbraw/zinc/23/73/23/1311237323.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387794 1311253778 /nfs/dbraw/zinc/25/37/78/1311253778.db2.gz NKJPVZYIZGQDPF-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223412038 1311257649 /nfs/dbraw/zinc/25/76/49/1311257649.db2.gz XUBSZHWZWOPHNG-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223472967 1311264802 /nfs/dbraw/zinc/26/48/02/1311264802.db2.gz YZCZLMCULYLIPO-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223472967 1311264803 /nfs/dbraw/zinc/26/48/03/1311264803.db2.gz YZCZLMCULYLIPO-KRWDZBQOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489403 1311267596 /nfs/dbraw/zinc/26/75/96/1311267596.db2.gz OSZHCUZTRBFVFY-ZACQAIPSSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489403 1311267600 /nfs/dbraw/zinc/26/76/00/1311267600.db2.gz OSZHCUZTRBFVFY-ZACQAIPSSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101975873 1311271199 /nfs/dbraw/zinc/27/11/99/1311271199.db2.gz FDULUQTVZUFZNH-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)C[C@@H]21 ZINC001223581015 1311278548 /nfs/dbraw/zinc/27/85/48/1311278548.db2.gz WUMVJSGSRVDUBX-KSZLIROESA-N 2 1 330.476 2.723 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312522 1311303199 /nfs/dbraw/zinc/30/31/99/1311303199.db2.gz BINGNMZCRGSZKF-IEBWSBKVSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224128923 1311346398 /nfs/dbraw/zinc/34/63/98/1311346398.db2.gz AEBPSCYHGHZOII-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128923 1311346400 /nfs/dbraw/zinc/34/64/00/1311346400.db2.gz AEBPSCYHGHZOII-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128923 1311346401 /nfs/dbraw/zinc/34/64/01/1311346401.db2.gz AEBPSCYHGHZOII-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224140510 1311349154 /nfs/dbraw/zinc/34/91/54/1311349154.db2.gz NCXKSGVEICUTGF-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224140510 1311349157 /nfs/dbraw/zinc/34/91/57/1311349157.db2.gz NCXKSGVEICUTGF-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914280 1311415910 /nfs/dbraw/zinc/41/59/10/1311415910.db2.gz LOKUFNRBYMTDBE-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914280 1311415911 /nfs/dbraw/zinc/41/59/11/1311415911.db2.gz LOKUFNRBYMTDBE-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224745809 1311430008 /nfs/dbraw/zinc/43/00/08/1311430008.db2.gz GYFBPRFFZPXPSL-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796264 1311435943 /nfs/dbraw/zinc/43/59/43/1311435943.db2.gz OSEDKSMEUAAJIH-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3F)(C1)CCC2 ZINC001277006524 1311449808 /nfs/dbraw/zinc/44/98/08/1311449808.db2.gz ARILCHZFTPJLIB-VQTJNVASSA-N 2 1 344.478 2.784 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577409 1311547065 /nfs/dbraw/zinc/54/70/65/1311547065.db2.gz GWXNKLMXXUMMNZ-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225652640 1311560081 /nfs/dbraw/zinc/56/00/81/1311560081.db2.gz HXCAPYVKFNUKIX-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225652640 1311560085 /nfs/dbraw/zinc/56/00/85/1311560085.db2.gz HXCAPYVKFNUKIX-UHFFFAOYSA-N 2 1 329.488 2.523 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096314336 1311614488 /nfs/dbraw/zinc/61/44/88/1311614488.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096314336 1311614494 /nfs/dbraw/zinc/61/44/94/1311614494.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096314336 1311614497 /nfs/dbraw/zinc/61/44/97/1311614497.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 2 1 333.520 2.939 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267372 1311639605 /nfs/dbraw/zinc/63/96/05/1311639605.db2.gz HTRACTVLGNIEKN-DFQSSKMNSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119994 1311647581 /nfs/dbraw/zinc/64/75/81/1311647581.db2.gz JDJUAJGJFDKACQ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119994 1311647584 /nfs/dbraw/zinc/64/75/84/1311647584.db2.gz JDJUAJGJFDKACQ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119994 1311647585 /nfs/dbraw/zinc/64/75/85/1311647585.db2.gz JDJUAJGJFDKACQ-LJQANCHMSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160130972 1311649933 /nfs/dbraw/zinc/64/99/33/1311649933.db2.gz AVBJWFYFKQZDBF-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160130972 1311649937 /nfs/dbraw/zinc/64/99/37/1311649937.db2.gz AVBJWFYFKQZDBF-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160130972 1311649941 /nfs/dbraw/zinc/64/99/41/1311649941.db2.gz AVBJWFYFKQZDBF-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226333297 1311650124 /nfs/dbraw/zinc/65/01/24/1311650124.db2.gz GWTNWLOUNRWERE-BRWVUGGUSA-N 2 1 332.492 2.990 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169147 1311659074 /nfs/dbraw/zinc/65/90/74/1311659074.db2.gz KMWYKXXPPRSSOX-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169147 1311659076 /nfs/dbraw/zinc/65/90/76/1311659076.db2.gz KMWYKXXPPRSSOX-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169147 1311659078 /nfs/dbraw/zinc/65/90/78/1311659078.db2.gz KMWYKXXPPRSSOX-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285948 1311680111 /nfs/dbraw/zinc/68/01/11/1311680111.db2.gz MAJYSLOTOPRWGN-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285948 1311680115 /nfs/dbraw/zinc/68/01/15/1311680115.db2.gz MAJYSLOTOPRWGN-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285948 1311680117 /nfs/dbraw/zinc/68/01/17/1311680117.db2.gz MAJYSLOTOPRWGN-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001277150993 1311714375 /nfs/dbraw/zinc/71/43/75/1311714375.db2.gz GXDCQLLMTYGZSS-OPVJXMOQSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151217 1311714922 /nfs/dbraw/zinc/71/49/22/1311714922.db2.gz DQAJPOWGTSKZED-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466072 1311716332 /nfs/dbraw/zinc/71/63/32/1311716332.db2.gz AHXCISOIPXHZSL-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466072 1311716335 /nfs/dbraw/zinc/71/63/35/1311716335.db2.gz AHXCISOIPXHZSL-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466072 1311716338 /nfs/dbraw/zinc/71/63/38/1311716338.db2.gz AHXCISOIPXHZSL-RTBURBONSA-N 2 1 331.504 2.718 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(CC)CC ZINC001226860917 1311733859 /nfs/dbraw/zinc/73/38/59/1311733859.db2.gz ULNZCYRFFRCIQL-QRVBRYPASA-N 2 1 333.520 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(CC)CC ZINC001226860917 1311733860 /nfs/dbraw/zinc/73/38/60/1311733860.db2.gz ULNZCYRFFRCIQL-QRVBRYPASA-N 2 1 333.520 2.537 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226860959 1311734114 /nfs/dbraw/zinc/73/41/14/1311734114.db2.gz WIBJXCKTZRBQDI-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226860959 1311734116 /nfs/dbraw/zinc/73/41/16/1311734116.db2.gz WIBJXCKTZRBQDI-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226878314 1311736104 /nfs/dbraw/zinc/73/61/04/1311736104.db2.gz PUZBDCVIVBVDGX-ARFHVFGLSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792682 1311856270 /nfs/dbraw/zinc/85/62/70/1311856270.db2.gz RKUDZXGVZNYYIH-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528269 1311864560 /nfs/dbraw/zinc/86/45/60/1311864560.db2.gz SPESWPNRCQPZSB-UJWQCDCRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528269 1311864561 /nfs/dbraw/zinc/86/45/61/1311864561.db2.gz SPESWPNRCQPZSB-UJWQCDCRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528269 1311864563 /nfs/dbraw/zinc/86/45/63/1311864563.db2.gz SPESWPNRCQPZSB-UJWQCDCRSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531876 1311870400 /nfs/dbraw/zinc/87/04/00/1311870400.db2.gz IRXIPWLRKFBPSU-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531876 1311870403 /nfs/dbraw/zinc/87/04/03/1311870403.db2.gz IRXIPWLRKFBPSU-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531876 1311870406 /nfs/dbraw/zinc/87/04/06/1311870406.db2.gz IRXIPWLRKFBPSU-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532219 1311871059 /nfs/dbraw/zinc/87/10/59/1311871059.db2.gz VYWTZHZPVMFQAZ-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532219 1311871064 /nfs/dbraw/zinc/87/10/64/1311871064.db2.gz VYWTZHZPVMFQAZ-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532219 1311871066 /nfs/dbraw/zinc/87/10/66/1311871066.db2.gz VYWTZHZPVMFQAZ-YSTOQKLRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048538856 1311879761 /nfs/dbraw/zinc/87/97/61/1311879761.db2.gz DLRWDHJFKNOOHH-BJWYYQGGSA-N 2 1 338.455 2.802 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001228168375 1311910289 /nfs/dbraw/zinc/91/02/89/1311910289.db2.gz ZVSQJLWVJICCRA-VAMGGRTRSA-N 2 1 345.531 2.824 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572621 1311920815 /nfs/dbraw/zinc/92/08/15/1311920815.db2.gz OYZQJDRLWIDUBR-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572621 1311920820 /nfs/dbraw/zinc/92/08/20/1311920820.db2.gz OYZQJDRLWIDUBR-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572622 1311920875 /nfs/dbraw/zinc/92/08/75/1311920875.db2.gz OYZQJDRLWIDUBR-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572622 1311920878 /nfs/dbraw/zinc/92/08/78/1311920878.db2.gz OYZQJDRLWIDUBR-RDGPPVDQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001228307928 1311928327 /nfs/dbraw/zinc/92/83/27/1311928327.db2.gz QTWFFDYZNNYPCV-INIZCTEOSA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622570 1311934024 /nfs/dbraw/zinc/93/40/24/1311934024.db2.gz QCOHMOJMHYRGIK-UHFFFAOYSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584376 1311934773 /nfs/dbraw/zinc/93/47/73/1311934773.db2.gz ZFGQLWHMXOEEKI-BJWYYQGGSA-N 2 1 342.487 2.697 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161674573 1311948032 /nfs/dbraw/zinc/94/80/32/1311948032.db2.gz NIVXPVUCHHPUCW-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674573 1311948035 /nfs/dbraw/zinc/94/80/35/1311948035.db2.gz NIVXPVUCHHPUCW-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674573 1311948038 /nfs/dbraw/zinc/94/80/38/1311948038.db2.gz NIVXPVUCHHPUCW-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602619 1311968751 /nfs/dbraw/zinc/96/87/51/1311968751.db2.gz IFAUABVAXWVKCV-MDZRGWNJSA-N 2 1 339.499 2.792 20 30 EFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161864134 1311991022 /nfs/dbraw/zinc/99/10/22/1311991022.db2.gz YFXOOZROMWWWRL-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161864134 1311991025 /nfs/dbraw/zinc/99/10/25/1311991025.db2.gz YFXOOZROMWWWRL-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161864134 1311991026 /nfs/dbraw/zinc/99/10/26/1311991026.db2.gz YFXOOZROMWWWRL-LJQANCHMSA-N 2 1 333.520 2.823 20 30 EFEDMP N#Cc1cc(NCC[NH+]2CCC([NH3+])CC2)nc2ccc(Cl)cc12 ZINC001161872619 1311992118 /nfs/dbraw/zinc/99/21/18/1311992118.db2.gz GSIGBWUNFMBDJV-UHFFFAOYSA-N 2 1 329.835 2.595 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925046 1312005155 /nfs/dbraw/zinc/00/51/55/1312005155.db2.gz VBQCTARRDBTCJK-IYBDPMFKSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925046 1312005158 /nfs/dbraw/zinc/00/51/58/1312005158.db2.gz VBQCTARRDBTCJK-IYBDPMFKSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925046 1312005160 /nfs/dbraw/zinc/00/51/60/1312005160.db2.gz VBQCTARRDBTCJK-IYBDPMFKSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925046 1312005164 /nfs/dbraw/zinc/00/51/64/1312005164.db2.gz VBQCTARRDBTCJK-IYBDPMFKSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852349 1312009744 /nfs/dbraw/zinc/00/97/44/1312009744.db2.gz JDWKPFRBWWODFB-IAGOWNOFSA-N 2 1 332.492 2.990 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952339 1312012857 /nfs/dbraw/zinc/01/28/57/1312012857.db2.gz GTBUABMAZHEGOK-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952339 1312012861 /nfs/dbraw/zinc/01/28/61/1312012861.db2.gz GTBUABMAZHEGOK-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952339 1312012863 /nfs/dbraw/zinc/01/28/63/1312012863.db2.gz GTBUABMAZHEGOK-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952339 1312012866 /nfs/dbraw/zinc/01/28/66/1312012866.db2.gz GTBUABMAZHEGOK-QGZVFWFLSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127363 1312050618 /nfs/dbraw/zinc/05/06/18/1312050618.db2.gz XOLCYRYUVUSBQV-QZTJIDSGSA-N 2 1 332.492 2.955 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229469501 1312101529 /nfs/dbraw/zinc/10/15/29/1312101529.db2.gz YSUQERYNWSJRAO-UHFFFAOYSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@H]2C1 ZINC001048827919 1312170464 /nfs/dbraw/zinc/17/04/64/1312170464.db2.gz NILVHWSRWTXEEG-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827919 1312170468 /nfs/dbraw/zinc/17/04/68/1312170468.db2.gz NILVHWSRWTXEEG-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827919 1312170470 /nfs/dbraw/zinc/17/04/70/1312170470.db2.gz NILVHWSRWTXEEG-KURKYZTESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001162826332 1312185018 /nfs/dbraw/zinc/18/50/18/1312185018.db2.gz CNENFSFZWHGLPV-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001162826330 1312185274 /nfs/dbraw/zinc/18/52/74/1312185274.db2.gz CNENFSFZWHGLPV-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001162840804 1312187950 /nfs/dbraw/zinc/18/79/50/1312187950.db2.gz BGTWUVRMTWVJQD-FQEVSTJZSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603270 1312208629 /nfs/dbraw/zinc/20/86/29/1312208629.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603270 1312208633 /nfs/dbraw/zinc/20/86/33/1312208633.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603270 1312208635 /nfs/dbraw/zinc/20/86/35/1312208635.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603267 1312208858 /nfs/dbraw/zinc/20/88/58/1312208858.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603267 1312208860 /nfs/dbraw/zinc/20/88/60/1312208860.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603267 1312208863 /nfs/dbraw/zinc/20/88/63/1312208863.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230287023 1312215835 /nfs/dbraw/zinc/21/58/35/1312215835.db2.gz VZNPHKIJVLTJLF-GUDVDZBRSA-N 2 1 329.488 2.882 20 30 EFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001163002157 1312223489 /nfs/dbraw/zinc/22/34/89/1312223489.db2.gz XJOHCDIMQXQLPH-FQEVSTJZSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006739 1312224364 /nfs/dbraw/zinc/22/43/64/1312224364.db2.gz KNHCTRZJJQRTEH-UHFFFAOYSA-N 2 1 331.504 2.564 20 30 EFEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(-c2cccs2)ccc1C#N ZINC001163128884 1312246887 /nfs/dbraw/zinc/24/68/87/1312246887.db2.gz QAFHRSDIOZBAHO-UHFFFAOYSA-N 2 1 342.472 2.960 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001230572854 1312268949 /nfs/dbraw/zinc/26/89/49/1312268949.db2.gz UWKSATVBSYMHGU-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001230572858 1312269490 /nfs/dbraw/zinc/26/94/90/1312269490.db2.gz UWKSATVBSYMHGU-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574376 1312269920 /nfs/dbraw/zinc/26/99/20/1312269920.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574376 1312269923 /nfs/dbraw/zinc/26/99/23/1312269923.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574376 1312269926 /nfs/dbraw/zinc/26/99/26/1312269926.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574908 1312270562 /nfs/dbraw/zinc/27/05/62/1312270562.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574908 1312270566 /nfs/dbraw/zinc/27/05/66/1312270566.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574908 1312270570 /nfs/dbraw/zinc/27/05/70/1312270570.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598615 1312278836 /nfs/dbraw/zinc/27/88/36/1312278836.db2.gz UUMFVCOXEWSEKK-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230606741 1312281559 /nfs/dbraw/zinc/28/15/59/1312281559.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230606741 1312281562 /nfs/dbraw/zinc/28/15/62/1312281562.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230606741 1312281565 /nfs/dbraw/zinc/28/15/65/1312281565.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230619538 1312286653 /nfs/dbraw/zinc/28/66/53/1312286653.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230619538 1312286657 /nfs/dbraw/zinc/28/66/57/1312286657.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230619538 1312286661 /nfs/dbraw/zinc/28/66/61/1312286661.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C[NH+](C)C1(CNc2cccc3[nH]cc(CC#N)c32)CC[NH+](C)CC1 ZINC001164216787 1312470864 /nfs/dbraw/zinc/47/08/64/1312470864.db2.gz KZYXTTZAXSGXLZ-UHFFFAOYSA-N 2 1 325.460 2.672 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114778 1312473088 /nfs/dbraw/zinc/47/30/88/1312473088.db2.gz PKLFYGJTZZXLGW-HDICACEKSA-N 2 1 347.890 2.505 20 30 EFEDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231822086 1312570814 /nfs/dbraw/zinc/57/08/14/1312570814.db2.gz VBQLBFJYEAEXET-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231822086 1312570818 /nfs/dbraw/zinc/57/08/18/1312570818.db2.gz VBQLBFJYEAEXET-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231822086 1312570822 /nfs/dbraw/zinc/57/08/22/1312570822.db2.gz VBQLBFJYEAEXET-KDURUIRLSA-N 2 1 326.488 2.810 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456036 1312632716 /nfs/dbraw/zinc/63/27/16/1312632716.db2.gz OVECJIHUVIOCMN-INIZCTEOSA-N 2 1 341.927 2.593 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232151878 1312635186 /nfs/dbraw/zinc/63/51/86/1312635186.db2.gz QWFDUKSGEKMCNJ-SFHVURJKSA-N 2 1 349.450 2.764 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232151878 1312635188 /nfs/dbraw/zinc/63/51/88/1312635188.db2.gz QWFDUKSGEKMCNJ-SFHVURJKSA-N 2 1 349.450 2.764 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCC)CC1 ZINC001165545844 1312645517 /nfs/dbraw/zinc/64/55/17/1312645517.db2.gz RMQBZJYQLNOFBA-SFHVURJKSA-N 2 1 333.520 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCC)CC1 ZINC001165545844 1312645520 /nfs/dbraw/zinc/64/55/20/1312645520.db2.gz RMQBZJYQLNOFBA-SFHVURJKSA-N 2 1 333.520 2.540 20 30 EFEDMP Cc1ccc(CC#N)c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]1 ZINC001165670646 1312660366 /nfs/dbraw/zinc/66/03/66/1312660366.db2.gz SFORCJHHEJFPDN-KRWDZBQOSA-N 2 1 342.487 2.972 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860881 1314428768 /nfs/dbraw/zinc/42/87/68/1314428768.db2.gz YYKOFOABLCVDPB-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860881 1314428769 /nfs/dbraw/zinc/42/87/69/1314428769.db2.gz YYKOFOABLCVDPB-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860881 1314428771 /nfs/dbraw/zinc/42/87/71/1314428771.db2.gz YYKOFOABLCVDPB-RBUKOAKNSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860880 1314428963 /nfs/dbraw/zinc/42/89/63/1314428963.db2.gz YYKOFOABLCVDPB-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860880 1314428966 /nfs/dbraw/zinc/42/89/66/1314428966.db2.gz YYKOFOABLCVDPB-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860880 1314428968 /nfs/dbraw/zinc/42/89/68/1314428968.db2.gz YYKOFOABLCVDPB-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001211307034 1314472914 /nfs/dbraw/zinc/47/29/14/1314472914.db2.gz MIXZQZZWSCHFQO-UYAOXDASSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956274 1314516259 /nfs/dbraw/zinc/51/62/59/1314516259.db2.gz RAYCVCIQEMZNCS-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967625 1314526483 /nfs/dbraw/zinc/52/64/83/1314526483.db2.gz KWMBQXPPZTZRJM-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246000389 1314563443 /nfs/dbraw/zinc/56/34/43/1314563443.db2.gz CYXFTXSDKFFBDT-KSZLIROESA-N 2 1 342.524 2.619 20 30 EFEDMP CCCCCCCCCCCC[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021065 1314568005 /nfs/dbraw/zinc/56/80/05/1314568005.db2.gz LDGHFJAOBYIXEJ-FHWLQOOXSA-N 2 1 328.541 2.910 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048310 1314574664 /nfs/dbraw/zinc/57/46/64/1314574664.db2.gz WQXQMKXGDNTYPJ-MHYDHLEJSA-N 2 1 326.525 2.784 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001246049700 1314574832 /nfs/dbraw/zinc/57/48/32/1314574832.db2.gz SLXXNHNXJUAHLT-LJQANCHMSA-N 2 1 327.557 2.715 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747003 1314597813 /nfs/dbraw/zinc/59/78/13/1314597813.db2.gz AZEHWHVECCSCML-QZTJIDSGSA-N 2 1 341.540 2.504 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028343 1314599405 /nfs/dbraw/zinc/59/94/05/1314599405.db2.gz LEVFQFPPFZEBMQ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029933 1314602550 /nfs/dbraw/zinc/60/25/50/1314602550.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029933 1314602556 /nfs/dbraw/zinc/60/25/56/1314602556.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029933 1314602559 /nfs/dbraw/zinc/60/25/59/1314602559.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032281 1314608171 /nfs/dbraw/zinc/60/81/71/1314608171.db2.gz NSMAYFWNFQLLLC-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032281 1314608176 /nfs/dbraw/zinc/60/81/76/1314608176.db2.gz NSMAYFWNFQLLLC-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246303888 1314608666 /nfs/dbraw/zinc/60/86/66/1314608666.db2.gz JLGOOUKZNDPPSO-MRXNPFEDSA-N 2 1 329.444 2.586 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(OCCC)CC1 ZINC001246306010 1314608784 /nfs/dbraw/zinc/60/87/84/1314608784.db2.gz SUZJJSKCDAVNCF-JCYILVPMSA-N 2 1 326.481 2.541 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042248 1314622600 /nfs/dbraw/zinc/62/26/00/1314622600.db2.gz OWPXFIHOOPGWLO-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443007 1314629840 /nfs/dbraw/zinc/62/98/40/1314629840.db2.gz SCTXAEZWPMHAQJ-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443007 1314629843 /nfs/dbraw/zinc/62/98/43/1314629843.db2.gz SCTXAEZWPMHAQJ-KNTRFNDTSA-N 3 1 326.488 2.771 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050119 1314636396 /nfs/dbraw/zinc/63/63/96/1314636396.db2.gz COPCWOXXKKXQGB-PMACEKPBSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246525826 1314642137 /nfs/dbraw/zinc/64/21/37/1314642137.db2.gz LQCLOJMALAPJAO-JWTNVVGKSA-N 2 1 347.503 2.770 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054017 1314643205 /nfs/dbraw/zinc/64/32/05/1314643205.db2.gz GJVRUZCKHUWCSD-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054017 1314643207 /nfs/dbraw/zinc/64/32/07/1314643207.db2.gz GJVRUZCKHUWCSD-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053951 1314643886 /nfs/dbraw/zinc/64/38/86/1314643886.db2.gz FNPIIUONXXGASF-VQTJNVASSA-N 2 1 347.547 2.999 20 30 EFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246545116 1314646011 /nfs/dbraw/zinc/64/60/11/1314646011.db2.gz SZWXRNVLFQBICD-SOAGJPPSSA-N 2 1 345.462 2.705 20 30 EFEDMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246790832 1314683279 /nfs/dbraw/zinc/68/32/79/1314683279.db2.gz NBOCFERKGDDKNB-RUYXUALKSA-N 2 1 326.488 2.989 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087931 1314694937 /nfs/dbraw/zinc/69/49/37/1314694937.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087931 1314694942 /nfs/dbraw/zinc/69/49/42/1314694942.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087931 1314694947 /nfs/dbraw/zinc/69/49/47/1314694947.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880094 1314701902 /nfs/dbraw/zinc/70/19/02/1314701902.db2.gz PVXYMAUMEPFMCE-WTOYTKOKSA-N 2 1 331.463 2.962 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093012 1314703567 /nfs/dbraw/zinc/70/35/67/1314703567.db2.gz UPHMYAYHGAMACL-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093012 1314703572 /nfs/dbraw/zinc/70/35/72/1314703572.db2.gz UPHMYAYHGAMACL-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246889100 1314703973 /nfs/dbraw/zinc/70/39/73/1314703973.db2.gz DCJAVESCWHXYGG-RUYXUALKSA-N 2 1 326.488 2.989 20 30 EFEDMP CC[C@H]1CC([NH+]2CCN(c3cccc(C#N)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246889099 1314704184 /nfs/dbraw/zinc/70/41/84/1314704184.db2.gz DCJAVESCWHXYGG-ROUUACIJSA-N 2 1 326.488 2.989 20 30 EFEDMP CCCCCCC[C@@H](CCC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923652 1314708987 /nfs/dbraw/zinc/70/89/87/1314708987.db2.gz DOTYHPKWSSNHAN-GOSISDBHSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCC[C@@H](CCC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923652 1314708989 /nfs/dbraw/zinc/70/89/89/1314708989.db2.gz DOTYHPKWSSNHAN-GOSISDBHSA-N 2 1 342.572 2.631 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100700 1314717056 /nfs/dbraw/zinc/71/70/56/1314717056.db2.gz ITKLOGFBWYUDSU-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100695 1314717328 /nfs/dbraw/zinc/71/73/28/1314717328.db2.gz ITKLOGFBWYUDSU-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105414 1314728252 /nfs/dbraw/zinc/72/82/52/1314728252.db2.gz OIIZDTXZBJZVRE-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108283 1314733012 /nfs/dbraw/zinc/73/30/12/1314733012.db2.gz RSZWCDNKNIALRX-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108280 1314733205 /nfs/dbraw/zinc/73/32/05/1314733205.db2.gz RSZWCDNKNIALRX-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248073 1314818574 /nfs/dbraw/zinc/81/85/74/1314818574.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248073 1314818577 /nfs/dbraw/zinc/81/85/77/1314818577.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248073 1314818579 /nfs/dbraw/zinc/81/85/79/1314818579.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387208 1314828158 /nfs/dbraw/zinc/82/81/58/1314828158.db2.gz JQBARXWTWKHZNZ-BHIYHBOVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557771 1314851321 /nfs/dbraw/zinc/85/13/21/1314851321.db2.gz CCVSYOFGASZVEY-UYAOXDASSA-N 2 1 343.515 2.564 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216349225 1314943248 /nfs/dbraw/zinc/94/32/48/1314943248.db2.gz VLFWMCMDQFTQNL-OLMNPRSZSA-N 2 1 349.906 2.868 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850266 1315014906 /nfs/dbraw/zinc/01/49/06/1315014906.db2.gz HDHLPTYJCVYASK-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851015 1315016270 /nfs/dbraw/zinc/01/62/70/1315016270.db2.gz YATJYEPRRNCHCY-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP N#Cc1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001249327978 1315054561 /nfs/dbraw/zinc/05/45/61/1315054561.db2.gz OKJBGLWGWQQIHR-KRWDZBQOSA-N 2 1 333.395 2.761 20 30 EFEDMP COCC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CCN(C)CC1 ZINC001249429290 1315072330 /nfs/dbraw/zinc/07/23/30/1315072330.db2.gz VAAYSIWNJWIMJZ-UHFFFAOYSA-N 2 1 326.444 2.582 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833738 1315116195 /nfs/dbraw/zinc/11/61/95/1315116195.db2.gz YZKYVRRUBBHMLB-PZJWPPBQSA-N 2 1 344.499 2.991 20 30 EFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218457285 1315199764 /nfs/dbraw/zinc/19/97/64/1315199764.db2.gz JUFBCHYSOJPTNF-UYAOXDASSA-N 3 1 329.488 2.685 20 30 EFEDMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(C#N)c2)CC3)n(C)n1 ZINC001278588192 1315236355 /nfs/dbraw/zinc/23/63/55/1315236355.db2.gz MTOQCERQYKNBEU-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001278588314 1315236741 /nfs/dbraw/zinc/23/67/41/1315236741.db2.gz SBZUILFVJXWRBP-UHFFFAOYSA-N 2 1 348.450 2.757 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144614 1315362451 /nfs/dbraw/zinc/36/24/51/1315362451.db2.gz AMTHVJMCPJEHER-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144614 1315362456 /nfs/dbraw/zinc/36/24/56/1315362456.db2.gz AMTHVJMCPJEHER-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144614 1315362460 /nfs/dbraw/zinc/36/24/60/1315362460.db2.gz AMTHVJMCPJEHER-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147145 1315367532 /nfs/dbraw/zinc/36/75/32/1315367532.db2.gz LGNNDSLBIDPVRO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147145 1315367534 /nfs/dbraw/zinc/36/75/34/1315367534.db2.gz LGNNDSLBIDPVRO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147145 1315367537 /nfs/dbraw/zinc/36/75/37/1315367537.db2.gz LGNNDSLBIDPVRO-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153611 1315379518 /nfs/dbraw/zinc/37/95/18/1315379518.db2.gz UYJCSERSVNWSCS-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153611 1315379521 /nfs/dbraw/zinc/37/95/21/1315379521.db2.gz UYJCSERSVNWSCS-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153611 1315379525 /nfs/dbraw/zinc/37/95/25/1315379525.db2.gz UYJCSERSVNWSCS-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158621 1315385814 /nfs/dbraw/zinc/38/58/14/1315385814.db2.gz NTVUKXOZRSKNMI-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158621 1315385818 /nfs/dbraw/zinc/38/58/18/1315385818.db2.gz NTVUKXOZRSKNMI-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158621 1315385822 /nfs/dbraw/zinc/38/58/22/1315385822.db2.gz NTVUKXOZRSKNMI-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164222 1315395186 /nfs/dbraw/zinc/39/51/86/1315395186.db2.gz DNEVMVVWKAFSKX-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169917 1315404071 /nfs/dbraw/zinc/40/40/71/1315404071.db2.gz AOJPTOWMWGEWPE-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174235 1315409747 /nfs/dbraw/zinc/40/97/47/1315409747.db2.gz KOCYHRYVZSDRCA-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182457 1315423070 /nfs/dbraw/zinc/42/30/70/1315423070.db2.gz KOZIBHFJOFHJST-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182457 1315423072 /nfs/dbraw/zinc/42/30/72/1315423072.db2.gz KOZIBHFJOFHJST-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182457 1315423075 /nfs/dbraw/zinc/42/30/75/1315423075.db2.gz KOZIBHFJOFHJST-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474221 1315454033 /nfs/dbraw/zinc/45/40/33/1315454033.db2.gz WTIUPJRDXZAUDC-NHCUHLMSSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252474221 1315454035 /nfs/dbraw/zinc/45/40/35/1315454035.db2.gz WTIUPJRDXZAUDC-NHCUHLMSSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252474221 1315454038 /nfs/dbraw/zinc/45/40/38/1315454038.db2.gz WTIUPJRDXZAUDC-NHCUHLMSSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001220868807 1315458547 /nfs/dbraw/zinc/45/85/47/1315458547.db2.gz VCJTWAFWVYQHKZ-PXNSSMCTSA-N 2 1 337.467 2.996 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001252552685 1315467097 /nfs/dbraw/zinc/46/70/97/1315467097.db2.gz YKZGESVWZGSBLB-FQEVSTJZSA-N 2 1 344.499 2.599 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001252554369 1315467839 /nfs/dbraw/zinc/46/78/39/1315467839.db2.gz FHVPTIIHPSMPSZ-SFHVURJKSA-N 2 1 331.847 2.947 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001252599030 1315474550 /nfs/dbraw/zinc/47/45/50/1315474550.db2.gz WGBSAKJNHJBLDK-FQEVSTJZSA-N 2 1 344.499 2.681 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219821 1315475426 /nfs/dbraw/zinc/47/54/26/1315475426.db2.gz XKFRZAZQEWJVMG-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134857 1315519426 /nfs/dbraw/zinc/51/94/26/1315519426.db2.gz TXNPUAPWYOVBMZ-IBGZPJMESA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134556 1315519840 /nfs/dbraw/zinc/51/98/40/1315519840.db2.gz RWYBTVHGJYGEAC-ZWKOTPCHSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001039134556 1315519842 /nfs/dbraw/zinc/51/98/42/1315519842.db2.gz RWYBTVHGJYGEAC-ZWKOTPCHSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137405 1315523882 /nfs/dbraw/zinc/52/38/82/1315523882.db2.gz NVGFQTNODGBDAC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138362 1315525489 /nfs/dbraw/zinc/52/54/89/1315525489.db2.gz OVOZLQVCDSLDEC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138362 1315525493 /nfs/dbraw/zinc/52/54/93/1315525493.db2.gz OVOZLQVCDSLDEC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138362 1315525497 /nfs/dbraw/zinc/52/54/97/1315525497.db2.gz OVOZLQVCDSLDEC-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145237 1315538559 /nfs/dbraw/zinc/53/85/59/1315538559.db2.gz XJAHRHTXOLJFDI-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562228 /nfs/dbraw/zinc/56/22/28/1315562228.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562231 /nfs/dbraw/zinc/56/22/31/1315562231.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562236 /nfs/dbraw/zinc/56/22/36/1315562236.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563658 /nfs/dbraw/zinc/56/36/58/1315563658.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563663 /nfs/dbraw/zinc/56/36/63/1315563663.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563670 /nfs/dbraw/zinc/56/36/70/1315563670.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616533 1315564989 /nfs/dbraw/zinc/56/49/89/1315564989.db2.gz OIQCJRZUAAFSED-QRVBRYPASA-N 2 1 335.536 2.830 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165300 1315565846 /nfs/dbraw/zinc/56/58/46/1315565846.db2.gz MDMXANJUPZDYQR-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167211 1315568974 /nfs/dbraw/zinc/56/89/74/1315568974.db2.gz OZIQHOMYZSPZJO-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167185 1315569240 /nfs/dbraw/zinc/56/92/40/1315569240.db2.gz NTKNFUOACGMEFU-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167185 1315569242 /nfs/dbraw/zinc/56/92/42/1315569242.db2.gz NTKNFUOACGMEFU-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167185 1315569245 /nfs/dbraw/zinc/56/92/45/1315569245.db2.gz NTKNFUOACGMEFU-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001253190961 1315577967 /nfs/dbraw/zinc/57/79/67/1315577967.db2.gz UOIMHKVFXKATBF-HXUWFJFHSA-N 2 1 329.488 2.515 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182027 1315589482 /nfs/dbraw/zinc/58/94/82/1315589482.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182027 1315589485 /nfs/dbraw/zinc/58/94/85/1315589485.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182027 1315589487 /nfs/dbraw/zinc/58/94/87/1315589487.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182026 1315589519 /nfs/dbraw/zinc/58/95/19/1315589519.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182026 1315589522 /nfs/dbraw/zinc/58/95/22/1315589522.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182026 1315589523 /nfs/dbraw/zinc/58/95/23/1315589523.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182029 1315589927 /nfs/dbraw/zinc/58/99/27/1315589927.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182029 1315589930 /nfs/dbraw/zinc/58/99/30/1315589930.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182029 1315589933 /nfs/dbraw/zinc/58/99/33/1315589933.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039183132 1315591714 /nfs/dbraw/zinc/59/17/14/1315591714.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183132 1315591716 /nfs/dbraw/zinc/59/17/16/1315591716.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183132 1315591719 /nfs/dbraw/zinc/59/17/19/1315591719.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)nc1 ZINC001278727681 1315610306 /nfs/dbraw/zinc/61/03/06/1315610306.db2.gz JTOXPYQNLXQPQG-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205137 1315617282 /nfs/dbraw/zinc/61/72/82/1315617282.db2.gz KZOHGOYXHXDATQ-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205137 1315617285 /nfs/dbraw/zinc/61/72/85/1315617285.db2.gz KZOHGOYXHXDATQ-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205137 1315617288 /nfs/dbraw/zinc/61/72/88/1315617288.db2.gz KZOHGOYXHXDATQ-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208321 1315621459 /nfs/dbraw/zinc/62/14/59/1315621459.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208321 1315621461 /nfs/dbraw/zinc/62/14/61/1315621461.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208321 1315621463 /nfs/dbraw/zinc/62/14/63/1315621463.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214738 1315631550 /nfs/dbraw/zinc/63/15/50/1315631550.db2.gz QAVJONSSJCMNQG-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214738 1315631553 /nfs/dbraw/zinc/63/15/53/1315631553.db2.gz QAVJONSSJCMNQG-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219337 1315639368 /nfs/dbraw/zinc/63/93/68/1315639368.db2.gz SHGLUONULKPCFD-HKUYNNGSSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233680 1315657784 /nfs/dbraw/zinc/65/77/84/1315657784.db2.gz DIBUPIMCERLTDX-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233680 1315657786 /nfs/dbraw/zinc/65/77/86/1315657786.db2.gz DIBUPIMCERLTDX-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233680 1315657788 /nfs/dbraw/zinc/65/77/88/1315657788.db2.gz DIBUPIMCERLTDX-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236296 1315660777 /nfs/dbraw/zinc/66/07/77/1315660777.db2.gz YPGQSMUWVNHXCK-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240384 1315667240 /nfs/dbraw/zinc/66/72/40/1315667240.db2.gz VGDOLBLAIHMXQN-IRXDYDNUSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247377 1315677604 /nfs/dbraw/zinc/67/76/04/1315677604.db2.gz VYTKISGCQJBVQP-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250280 1315681647 /nfs/dbraw/zinc/68/16/47/1315681647.db2.gz NKEDYVPNRQGSIX-HKUYNNGSSA-N 2 1 344.503 2.632 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250283 1315681898 /nfs/dbraw/zinc/68/18/98/1315681898.db2.gz NKEDYVPNRQGSIX-IEBWSBKVSA-N 2 1 344.503 2.632 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251150 1315682539 /nfs/dbraw/zinc/68/25/39/1315682539.db2.gz SZHTZLAQTLQDNN-AEFFLSMTSA-N 2 1 330.476 2.540 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039302174 1315709154 /nfs/dbraw/zinc/70/91/54/1315709154.db2.gz ZHOSVZKQBUOGCP-XVLXNVKGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517254 1315714130 /nfs/dbraw/zinc/71/41/30/1315714130.db2.gz SQCCTHDDOBNMJJ-IEBWSBKVSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517254 1315714132 /nfs/dbraw/zinc/71/41/32/1315714132.db2.gz SQCCTHDDOBNMJJ-IEBWSBKVSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517254 1315714133 /nfs/dbraw/zinc/71/41/33/1315714133.db2.gz SQCCTHDDOBNMJJ-IEBWSBKVSA-N 2 1 335.492 2.581 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039313712 1315714663 /nfs/dbraw/zinc/71/46/63/1315714663.db2.gz MEQRDIABYFEHGO-IPQPSQTFSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039313713 1315714691 /nfs/dbraw/zinc/71/46/91/1315714691.db2.gz MEQRDIABYFEHGO-XVLXNVKGSA-N 2 1 333.520 2.939 20 30 EFEDMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254646890 1315734698 /nfs/dbraw/zinc/73/46/98/1315734698.db2.gz PSEDQFTUQBRKBD-JKSUJKDBSA-N 2 1 338.496 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039387067 1315756049 /nfs/dbraw/zinc/75/60/49/1315756049.db2.gz QGRCAEODSFDNLX-SQNIBIBYSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039387067 1315756051 /nfs/dbraw/zinc/75/60/51/1315756051.db2.gz QGRCAEODSFDNLX-SQNIBIBYSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386899 1315756507 /nfs/dbraw/zinc/75/65/07/1315756507.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386899 1315756510 /nfs/dbraw/zinc/75/65/10/1315756510.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386899 1315756513 /nfs/dbraw/zinc/75/65/13/1315756513.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039423941 1315782629 /nfs/dbraw/zinc/78/26/29/1315782629.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423941 1315782632 /nfs/dbraw/zinc/78/26/32/1315782632.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423941 1315782634 /nfs/dbraw/zinc/78/26/34/1315782634.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444917 1315795406 /nfs/dbraw/zinc/79/54/06/1315795406.db2.gz WHNZSYSIVQVQPO-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444917 1315795410 /nfs/dbraw/zinc/79/54/10/1315795410.db2.gz WHNZSYSIVQVQPO-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039448058 1315797673 /nfs/dbraw/zinc/79/76/73/1315797673.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448058 1315797675 /nfs/dbraw/zinc/79/76/75/1315797675.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448058 1315797677 /nfs/dbraw/zinc/79/76/77/1315797677.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 2 1 333.520 2.891 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458042 1315805303 /nfs/dbraw/zinc/80/53/03/1315805303.db2.gz CDFZHHHLXUSGTR-HSALFYBXSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474719 1315817369 /nfs/dbraw/zinc/81/73/69/1315817369.db2.gz WTBSKECIUZBNET-CEXWTWQISA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCOC(=O)N1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255675784 1315856436 /nfs/dbraw/zinc/85/64/36/1315856436.db2.gz HKBKYEPXLRVIAF-AYHJJNSGSA-N 2 1 335.492 2.626 20 30 EFEDMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255963378 1315886871 /nfs/dbraw/zinc/88/68/71/1315886871.db2.gz HDXKCXCKBKNZTD-KRWDZBQOSA-N 2 1 329.492 2.586 20 30 EFEDMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255963378 1315886873 /nfs/dbraw/zinc/88/68/73/1315886873.db2.gz HDXKCXCKBKNZTD-KRWDZBQOSA-N 2 1 329.492 2.586 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077700 1315900740 /nfs/dbraw/zinc/90/07/40/1315900740.db2.gz HLWBUURPMOZFLY-HXUWFJFHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077700 1315900741 /nfs/dbraw/zinc/90/07/41/1315900741.db2.gz HLWBUURPMOZFLY-HXUWFJFHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052443827 1315947728 /nfs/dbraw/zinc/94/77/28/1315947728.db2.gz GKVQQLNXSLJTJG-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443827 1315947731 /nfs/dbraw/zinc/94/77/31/1315947731.db2.gz GKVQQLNXSLJTJG-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052443827 1315947734 /nfs/dbraw/zinc/94/77/34/1315947734.db2.gz GKVQQLNXSLJTJG-IRXDYDNUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=CCN1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528572 1315952498 /nfs/dbraw/zinc/95/24/98/1315952498.db2.gz HNVZRTGYKZZSQH-IHPCNDPISA-N 2 1 341.499 2.806 20 30 EFEDMP C=CCN1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528572 1315952501 /nfs/dbraw/zinc/95/25/01/1315952501.db2.gz HNVZRTGYKZZSQH-IHPCNDPISA-N 2 1 341.499 2.806 20 30 EFEDMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001256573055 1315961786 /nfs/dbraw/zinc/96/17/86/1315961786.db2.gz BNOXUTOFFSJMIS-UHFFFAOYSA-N 2 1 341.503 2.728 20 30 EFEDMP CC(C)(C)[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001256573055 1315961790 /nfs/dbraw/zinc/96/17/90/1315961790.db2.gz BNOXUTOFFSJMIS-UHFFFAOYSA-N 2 1 341.503 2.728 20 30 EFEDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(C#N)c1 ZINC001278961261 1315985133 /nfs/dbraw/zinc/98/51/33/1315985133.db2.gz MVZLPNOBZPBHPW-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(C#N)c1 ZINC001278961261 1315985134 /nfs/dbraw/zinc/98/51/34/1315985134.db2.gz MVZLPNOBZPBHPW-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(C#N)c1 ZINC001278961261 1315985135 /nfs/dbraw/zinc/98/51/35/1315985135.db2.gz MVZLPNOBZPBHPW-BGYRXZFFSA-N 2 1 349.482 2.934 20 30 EFEDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011444 1316021283 /nfs/dbraw/zinc/02/12/83/1316021283.db2.gz NQXHYKPRFKSYSO-CTWPCTMYSA-N 2 1 343.471 2.845 20 30 EFEDMP N#Cc1ccc(C2CCC([NH2+][C@@]3(C[NH3+])CN4CCC3CC4)CC2)cc1 ZINC001257015326 1316021696 /nfs/dbraw/zinc/02/16/96/1316021696.db2.gz XXOWAZDGANEZGT-MNLRITNHSA-N 2 1 338.499 2.597 20 30 EFEDMP N#Cc1ccc(C2CCC([NH2+][C@]3(C[NH3+])CN4CCC3CC4)CC2)cc1 ZINC001257015325 1316022030 /nfs/dbraw/zinc/02/20/30/1316022030.db2.gz XXOWAZDGANEZGT-DQVLVPHSSA-N 2 1 338.499 2.597 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213149 1316047039 /nfs/dbraw/zinc/04/70/39/1316047039.db2.gz HTSSBZDMIKYFGS-HXUWFJFHSA-N 2 1 349.519 2.970 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213149 1316047042 /nfs/dbraw/zinc/04/70/42/1316047042.db2.gz HTSSBZDMIKYFGS-HXUWFJFHSA-N 2 1 349.519 2.970 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257216540 1316047630 /nfs/dbraw/zinc/04/76/30/1316047630.db2.gz HTRFLXNYPDQTKY-FQEVSTJZSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257216540 1316047633 /nfs/dbraw/zinc/04/76/33/1316047633.db2.gz HTRFLXNYPDQTKY-FQEVSTJZSA-N 2 1 333.520 2.892 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207372 1316143262 /nfs/dbraw/zinc/14/32/62/1316143262.db2.gz FGJKBTDZTOMSNX-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206916 1316143396 /nfs/dbraw/zinc/14/33/96/1316143396.db2.gz ARVYWHHPMPCYOG-PZJWPPBQSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040241142 1316160772 /nfs/dbraw/zinc/16/07/72/1316160772.db2.gz MFFHNZOJRBEWED-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241142 1316160774 /nfs/dbraw/zinc/16/07/74/1316160774.db2.gz MFFHNZOJRBEWED-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040241142 1316160776 /nfs/dbraw/zinc/16/07/76/1316160776.db2.gz MFFHNZOJRBEWED-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242518 1316161857 /nfs/dbraw/zinc/16/18/57/1316161857.db2.gz YQFUDPCOASZIGG-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241871 1316161886 /nfs/dbraw/zinc/16/18/86/1316161886.db2.gz VCEHJILZSLISAE-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241871 1316161887 /nfs/dbraw/zinc/16/18/87/1316161887.db2.gz VCEHJILZSLISAE-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241871 1316161890 /nfs/dbraw/zinc/16/18/90/1316161890.db2.gz VCEHJILZSLISAE-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258728401 1316173564 /nfs/dbraw/zinc/17/35/64/1316173564.db2.gz ORWDOLRJMWJYHD-MRXNPFEDSA-N 2 1 332.492 2.646 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040264741 1316173659 /nfs/dbraw/zinc/17/36/59/1316173659.db2.gz QWETZEFYGTVOBN-HXUWFJFHSA-N 2 1 336.439 2.514 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730152 1316174369 /nfs/dbraw/zinc/17/43/69/1316174369.db2.gz BJSMJDOQNGFTTO-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730152 1316174372 /nfs/dbraw/zinc/17/43/72/1316174372.db2.gz BJSMJDOQNGFTTO-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730152 1316174375 /nfs/dbraw/zinc/17/43/75/1316174375.db2.gz BJSMJDOQNGFTTO-DFQSSKMNSA-N 2 1 329.488 2.959 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774042 1316177265 /nfs/dbraw/zinc/17/72/65/1316177265.db2.gz UQMIEMCSVAFFEH-UXHICEINSA-N 2 1 336.520 2.935 20 30 EFEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177377 /nfs/dbraw/zinc/17/73/77/1316177377.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177379 /nfs/dbraw/zinc/17/73/79/1316177379.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177382 /nfs/dbraw/zinc/17/73/82/1316177382.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276557 1316179557 /nfs/dbraw/zinc/17/95/57/1316179557.db2.gz NKYAYODVPOJDBO-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276557 1316179560 /nfs/dbraw/zinc/17/95/60/1316179560.db2.gz NKYAYODVPOJDBO-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276557 1316179561 /nfs/dbraw/zinc/17/95/61/1316179561.db2.gz NKYAYODVPOJDBO-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040279894 1316180786 /nfs/dbraw/zinc/18/07/86/1316180786.db2.gz BBCZFNBYKZEPBO-FQEVSTJZSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312253 1316196658 /nfs/dbraw/zinc/19/66/58/1316196658.db2.gz AQZXAKNIMGDERT-CTNGQTDRSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347424 1316214265 /nfs/dbraw/zinc/21/42/65/1316214265.db2.gz KXDLHXUGKJLJSD-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347424 1316214267 /nfs/dbraw/zinc/21/42/67/1316214267.db2.gz KXDLHXUGKJLJSD-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347424 1316214271 /nfs/dbraw/zinc/21/42/71/1316214271.db2.gz KXDLHXUGKJLJSD-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380409 1316231205 /nfs/dbraw/zinc/23/12/05/1316231205.db2.gz QPEUIHSBQXWMOQ-SJLPKXTDSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380409 1316231207 /nfs/dbraw/zinc/23/12/07/1316231207.db2.gz QPEUIHSBQXWMOQ-SJLPKXTDSA-N 2 1 341.927 2.640 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432167 1316262009 /nfs/dbraw/zinc/26/20/09/1316262009.db2.gz MKTQCGJFXSFIMR-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432161 1316262020 /nfs/dbraw/zinc/26/20/20/1316262020.db2.gz MDLJZCHEWIYEIH-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432161 1316262024 /nfs/dbraw/zinc/26/20/24/1316262024.db2.gz MDLJZCHEWIYEIH-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545376 1316316457 /nfs/dbraw/zinc/31/64/57/1316316457.db2.gz ONKSLGXIBSADDE-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544782 1316317039 /nfs/dbraw/zinc/31/70/39/1316317039.db2.gz ZXYLQUXJNJNHGA-FQEVSTJZSA-N 2 1 333.520 2.753 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040699544 1316354235 /nfs/dbraw/zinc/35/42/35/1316354235.db2.gz ATKFUHAUYHAXHO-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040701379 1316354849 /nfs/dbraw/zinc/35/48/49/1316354849.db2.gz JHVPGFHWOQGTGJ-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040722233 1316360192 /nfs/dbraw/zinc/36/01/92/1316360192.db2.gz RKRLLYOBBFBHJE-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040746146 1316365673 /nfs/dbraw/zinc/36/56/73/1316365673.db2.gz WJTVNJLBHSEPKJ-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040869186 1316393224 /nfs/dbraw/zinc/39/32/24/1316393224.db2.gz GCIRVXNVEZUJCB-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882559 1316396969 /nfs/dbraw/zinc/39/69/69/1316396969.db2.gz FSIULVUWDZISFK-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882176 1316396998 /nfs/dbraw/zinc/39/69/98/1316396998.db2.gz ACSPWTZEVTULEW-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886265 1316419875 /nfs/dbraw/zinc/41/98/75/1316419875.db2.gz MNZSYARWVCVMEY-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886265 1316419878 /nfs/dbraw/zinc/41/98/78/1316419878.db2.gz MNZSYARWVCVMEY-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886265 1316419881 /nfs/dbraw/zinc/41/98/81/1316419881.db2.gz MNZSYARWVCVMEY-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001261789507 1316430897 /nfs/dbraw/zinc/43/08/97/1316430897.db2.gz FYQVJANEDSJVLL-IBGZPJMESA-N 2 1 332.463 2.851 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460855 1316459844 /nfs/dbraw/zinc/45/98/44/1316459844.db2.gz ZIGJHJNCMYALFP-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276247 1316498537 /nfs/dbraw/zinc/49/85/37/1316498537.db2.gz JOYXWMORCQLZND-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276247 1316498541 /nfs/dbraw/zinc/49/85/41/1316498541.db2.gz JOYXWMORCQLZND-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276247 1316498544 /nfs/dbraw/zinc/49/85/44/1316498544.db2.gz JOYXWMORCQLZND-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286619 1316503302 /nfs/dbraw/zinc/50/33/02/1316503302.db2.gz LSBNBPPBSARMHT-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286995 1316503463 /nfs/dbraw/zinc/50/34/63/1316503463.db2.gz OKENURWIVFDBSB-WIYYLYMNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041286995 1316503465 /nfs/dbraw/zinc/50/34/65/1316503465.db2.gz OKENURWIVFDBSB-WIYYLYMNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041286995 1316503468 /nfs/dbraw/zinc/50/34/68/1316503468.db2.gz OKENURWIVFDBSB-WIYYLYMNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300944 1316506739 /nfs/dbraw/zinc/50/67/39/1316506739.db2.gz KPYXSROTGAMEJK-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300944 1316506742 /nfs/dbraw/zinc/50/67/42/1316506742.db2.gz KPYXSROTGAMEJK-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358024 1316526740 /nfs/dbraw/zinc/52/67/40/1316526740.db2.gz KNTXZZPWWCPCMX-AZUAARDMSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358024 1316526744 /nfs/dbraw/zinc/52/67/44/1316526744.db2.gz KNTXZZPWWCPCMX-AZUAARDMSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358024 1316526748 /nfs/dbraw/zinc/52/67/48/1316526748.db2.gz KNTXZZPWWCPCMX-AZUAARDMSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358378 1316527000 /nfs/dbraw/zinc/52/70/00/1316527000.db2.gz NKMHXLHMENJVBH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358378 1316527003 /nfs/dbraw/zinc/52/70/03/1316527003.db2.gz NKMHXLHMENJVBH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358378 1316527005 /nfs/dbraw/zinc/52/70/05/1316527005.db2.gz NKMHXLHMENJVBH-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041394386 1316537060 /nfs/dbraw/zinc/53/70/60/1316537060.db2.gz DNFNIJHABMSFFF-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041425045 1316549446 /nfs/dbraw/zinc/54/94/46/1316549446.db2.gz RATLDEXMJYXPGD-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041425045 1316549447 /nfs/dbraw/zinc/54/94/47/1316549447.db2.gz RATLDEXMJYXPGD-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041425045 1316549449 /nfs/dbraw/zinc/54/94/49/1316549449.db2.gz RATLDEXMJYXPGD-OAQYLSRUSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041430167 1316550548 /nfs/dbraw/zinc/55/05/48/1316550548.db2.gz AXHWEKUTMLWXEA-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430167 1316550550 /nfs/dbraw/zinc/55/05/50/1316550550.db2.gz AXHWEKUTMLWXEA-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041430167 1316550552 /nfs/dbraw/zinc/55/05/52/1316550552.db2.gz AXHWEKUTMLWXEA-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477218 1316562973 /nfs/dbraw/zinc/56/29/73/1316562973.db2.gz ZGJAPJBNWUKUFC-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537608 1316581201 /nfs/dbraw/zinc/58/12/01/1316581201.db2.gz ZOYAGZPOTROBRB-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586780 1316609198 /nfs/dbraw/zinc/60/91/98/1316609198.db2.gz MANWBEPQMYBWFG-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586780 1316609201 /nfs/dbraw/zinc/60/92/01/1316609201.db2.gz MANWBEPQMYBWFG-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586780 1316609205 /nfs/dbraw/zinc/60/92/05/1316609205.db2.gz MANWBEPQMYBWFG-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586775 1316609411 /nfs/dbraw/zinc/60/94/11/1316609411.db2.gz MANWBEPQMYBWFG-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586775 1316609413 /nfs/dbraw/zinc/60/94/13/1316609413.db2.gz MANWBEPQMYBWFG-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586775 1316609415 /nfs/dbraw/zinc/60/94/15/1316609415.db2.gz MANWBEPQMYBWFG-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587834 1316609933 /nfs/dbraw/zinc/60/99/33/1316609933.db2.gz SOAWDIKJFXRUPJ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587834 1316609935 /nfs/dbraw/zinc/60/99/35/1316609935.db2.gz SOAWDIKJFXRUPJ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587834 1316609937 /nfs/dbraw/zinc/60/99/37/1316609937.db2.gz SOAWDIKJFXRUPJ-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001041676657 1316645458 /nfs/dbraw/zinc/64/54/58/1316645458.db2.gz YYFYSCRYGVWNPT-NRFANRHFSA-N 2 1 341.499 2.515 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724342 1316666833 /nfs/dbraw/zinc/66/68/33/1316666833.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724342 1316666836 /nfs/dbraw/zinc/66/68/36/1316666836.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724342 1316666839 /nfs/dbraw/zinc/66/68/39/1316666839.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767602 1316688651 /nfs/dbraw/zinc/68/86/51/1316688651.db2.gz JOMCKBWUMQYNHV-FQEVSTJZSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041777084 1316693094 /nfs/dbraw/zinc/69/30/94/1316693094.db2.gz HICCIYXCKJPMEB-OAQYLSRUSA-N 2 1 345.531 2.609 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782235 1316696503 /nfs/dbraw/zinc/69/65/03/1316696503.db2.gz TWJWABNYUBZNSF-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782235 1316696506 /nfs/dbraw/zinc/69/65/06/1316696506.db2.gz TWJWABNYUBZNSF-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782235 1316696509 /nfs/dbraw/zinc/69/65/09/1316696509.db2.gz TWJWABNYUBZNSF-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782552 1316696675 /nfs/dbraw/zinc/69/66/75/1316696675.db2.gz AHEIERSTKIVWRY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782552 1316696678 /nfs/dbraw/zinc/69/66/78/1316696678.db2.gz AHEIERSTKIVWRY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782552 1316696681 /nfs/dbraw/zinc/69/66/81/1316696681.db2.gz AHEIERSTKIVWRY-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041844279 1316730619 /nfs/dbraw/zinc/73/06/19/1316730619.db2.gz GBCPTLDSUYTQMG-OAQYLSRUSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845941 1316732053 /nfs/dbraw/zinc/73/20/53/1316732053.db2.gz SRECMZYJRPSNLK-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846074 1316732354 /nfs/dbraw/zinc/73/23/54/1316732354.db2.gz WLBSFPIHPIZJPK-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845640 1316732414 /nfs/dbraw/zinc/73/24/14/1316732414.db2.gz LILIURFMFSXCEB-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845640 1316732416 /nfs/dbraw/zinc/73/24/16/1316732416.db2.gz LILIURFMFSXCEB-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845640 1316732418 /nfs/dbraw/zinc/73/24/18/1316732418.db2.gz LILIURFMFSXCEB-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845640 1316732421 /nfs/dbraw/zinc/73/24/21/1316732421.db2.gz LILIURFMFSXCEB-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042082590 1316867862 /nfs/dbraw/zinc/86/78/62/1316867862.db2.gz FOTALTNIFZAHKO-GOEBONIOSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042082590 1316867865 /nfs/dbraw/zinc/86/78/65/1316867865.db2.gz FOTALTNIFZAHKO-GOEBONIOSA-N 2 1 333.501 2.532 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121257 1316893525 /nfs/dbraw/zinc/89/35/25/1316893525.db2.gz GAEPSTKJTJTUAN-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125240 1316896016 /nfs/dbraw/zinc/89/60/16/1316896016.db2.gz QIJQHKDKEBNLRY-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125240 1316896019 /nfs/dbraw/zinc/89/60/19/1316896019.db2.gz QIJQHKDKEBNLRY-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125240 1316896022 /nfs/dbraw/zinc/89/60/22/1316896022.db2.gz QIJQHKDKEBNLRY-PKOBYXMFSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133167 1316900857 /nfs/dbraw/zinc/90/08/57/1316900857.db2.gz IPIYJMCIBOQMPU-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158237 1316918878 /nfs/dbraw/zinc/91/88/78/1316918878.db2.gz VYBODAXVPLIIKE-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234206 1316997480 /nfs/dbraw/zinc/99/74/80/1316997480.db2.gz LBJHJQMQLLXYMC-ICSRJNTNSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252741 1317035537 /nfs/dbraw/zinc/03/55/37/1317035537.db2.gz ADLFMLNAJSZMSC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252741 1317035543 /nfs/dbraw/zinc/03/55/43/1317035543.db2.gz ADLFMLNAJSZMSC-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252816 1317036644 /nfs/dbraw/zinc/03/66/44/1317036644.db2.gz NTRKCAZDRIXJPW-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252816 1317036651 /nfs/dbraw/zinc/03/66/51/1317036651.db2.gz NTRKCAZDRIXJPW-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254276 1317040536 /nfs/dbraw/zinc/04/05/36/1317040536.db2.gz JUUXUFOYRZWBDK-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254276 1317040545 /nfs/dbraw/zinc/04/05/45/1317040545.db2.gz JUUXUFOYRZWBDK-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288701 1317095732 /nfs/dbraw/zinc/09/57/32/1317095732.db2.gz UVBUVSOZWHPIJE-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296882 1317108447 /nfs/dbraw/zinc/10/84/47/1317108447.db2.gz IDIAHWQXTHDOGB-MJGOQNOKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297921 1317112819 /nfs/dbraw/zinc/11/28/19/1317112819.db2.gz XXFSSVYUDPYEPI-AZUAARDMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042315861 1317138695 /nfs/dbraw/zinc/13/86/95/1317138695.db2.gz DJFOKUQGOKSTFI-VQIMIIECSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042315861 1317138700 /nfs/dbraw/zinc/13/87/00/1317138700.db2.gz DJFOKUQGOKSTFI-VQIMIIECSA-N 2 1 342.487 2.650 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1C#N ZINC001279178849 1317204785 /nfs/dbraw/zinc/20/47/85/1317204785.db2.gz PKAUJDCOGPPLGF-UHFFFAOYSA-N 2 1 349.482 2.780 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369233 1317224260 /nfs/dbraw/zinc/22/42/60/1317224260.db2.gz VALNDHDKUDGVAW-PXNSSMCTSA-N 2 1 341.499 2.861 20 30 EFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(N)c2)CC3)cc1C#N ZINC001279699370 1317364611 /nfs/dbraw/zinc/36/46/11/1317364611.db2.gz JQEJJRUPGRMSRL-UHFFFAOYSA-N 2 1 349.482 2.577 20 30 EFEDMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001280101736 1317454825 /nfs/dbraw/zinc/45/48/25/1317454825.db2.gz MDYVCGRIWPEYIK-KDURUIRLSA-N 2 1 349.482 2.949 20 30 EFEDMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001280101736 1317454830 /nfs/dbraw/zinc/45/48/30/1317454830.db2.gz MDYVCGRIWPEYIK-KDURUIRLSA-N 2 1 349.482 2.949 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CC#N)CC3)cc2F)CC1 ZINC001320242792 1329105864 /nfs/dbraw/zinc/10/58/64/1329105864.db2.gz SRKCURDKDWAAMS-UHFFFAOYSA-N 2 1 330.451 2.703 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325753815 1329710903 /nfs/dbraw/zinc/71/09/03/1329710903.db2.gz MLFJPJAHYOAZGC-OTWHNJEPSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001325753815 1329710904 /nfs/dbraw/zinc/71/09/04/1329710904.db2.gz MLFJPJAHYOAZGC-OTWHNJEPSA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001325753815 1329710905 /nfs/dbraw/zinc/71/09/05/1329710905.db2.gz MLFJPJAHYOAZGC-OTWHNJEPSA-N 2 1 335.536 2.831 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001326146163 1329734669 /nfs/dbraw/zinc/73/46/69/1329734669.db2.gz JCLFTBLPVKVYLX-UHFFFAOYSA-N 2 1 326.444 2.517 20 30 EFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001335397408 1331342496 /nfs/dbraw/zinc/34/24/96/1331342496.db2.gz GZDBCSVBZBIZEI-QGZVFWFLSA-N 2 1 340.389 2.816 20 30 EFEDMP CCC[N@H+]1CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001335860923 1331410698 /nfs/dbraw/zinc/41/06/98/1331410698.db2.gz XXESVWORFFBWIX-IAGOWNOFSA-N 2 1 338.540 2.621 20 30 EFEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729410 1334685469 /nfs/dbraw/zinc/68/54/69/1334685469.db2.gz FHMMECHPPAESCB-UHFFFAOYSA-N 2 1 332.492 2.847 20 30 EFEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848532805 1334780119 /nfs/dbraw/zinc/78/01/19/1334780119.db2.gz BAIUXLDWSDTTTO-RBUKOAKNSA-N 2 1 343.471 2.710 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001367232415 1338539509 /nfs/dbraw/zinc/53/95/09/1338539509.db2.gz ZOSJSKPXJVTDED-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001367232415 1338539516 /nfs/dbraw/zinc/53/95/16/1338539516.db2.gz ZOSJSKPXJVTDED-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001367232415 1338539522 /nfs/dbraw/zinc/53/95/22/1338539522.db2.gz ZOSJSKPXJVTDED-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368208852 1339256721 /nfs/dbraw/zinc/25/67/21/1339256721.db2.gz LMKYCYZOUJABAI-INIZCTEOSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368208860 1339256811 /nfs/dbraw/zinc/25/68/11/1339256811.db2.gz LMKYCYZOUJABAI-MRXNPFEDSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001368227351 1339272863 /nfs/dbraw/zinc/27/28/63/1339272863.db2.gz HVACYALSKQRZAT-GOSISDBHSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001368227351 1339272865 /nfs/dbraw/zinc/27/28/65/1339272865.db2.gz HVACYALSKQRZAT-GOSISDBHSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001368517189 1339451690 /nfs/dbraw/zinc/45/16/90/1339451690.db2.gz DDULLULVEXGXMH-INIZCTEOSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001368807319 1339743837 /nfs/dbraw/zinc/74/38/37/1339743837.db2.gz GLGVSVWCPLSJSS-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001368807319 1339743841 /nfs/dbraw/zinc/74/38/41/1339743841.db2.gz GLGVSVWCPLSJSS-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001368914995 1339858790 /nfs/dbraw/zinc/85/87/90/1339858790.db2.gz RNTIKKYQLBABRJ-OAHLLOKOSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001377947045 1344607028 /nfs/dbraw/zinc/60/70/28/1344607028.db2.gz HVQZYBBTCVEUAI-HNNXBMFYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379167891 1345638098 /nfs/dbraw/zinc/63/80/98/1345638098.db2.gz KFPWMFQOEVYMAW-HUUCEWRRSA-N 2 1 329.916 2.591 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001380084593 1347508536 /nfs/dbraw/zinc/50/85/36/1347508536.db2.gz DHRJCFTXUMMMLQ-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001380696745 1347819672 /nfs/dbraw/zinc/81/96/72/1347819672.db2.gz BJCMQKKTKVLKOB-ULQDDVLXSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001380860683 1347920535 /nfs/dbraw/zinc/92/05/35/1347920535.db2.gz LYZUMGKQSRUVBD-MRXNPFEDSA-N 2 1 339.911 2.774 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539209 1349006063 /nfs/dbraw/zinc/00/60/63/1349006063.db2.gz HUVLOHMKRQCGFS-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541125 1349008382 /nfs/dbraw/zinc/00/83/82/1349008382.db2.gz QLAXUDGKHGCXAX-GOSISDBHSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001389752290 1353600208 /nfs/dbraw/zinc/60/02/08/1353600208.db2.gz BRGXRMYMLSPGOY-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001389752290 1353600212 /nfs/dbraw/zinc/60/02/12/1353600212.db2.gz BRGXRMYMLSPGOY-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001389752290 1353600217 /nfs/dbraw/zinc/60/02/17/1353600217.db2.gz BRGXRMYMLSPGOY-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001390265249 1353963195 /nfs/dbraw/zinc/96/31/95/1353963195.db2.gz LLODVEHGPOHQMP-UHFFFAOYSA-N 2 1 329.916 2.734 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@@H]1C ZINC001391808719 1355551086 /nfs/dbraw/zinc/55/10/86/1355551086.db2.gz LFITXYCIFCKUTI-WMLDXEAASA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060668 1387390926 /nfs/dbraw/zinc/39/09/26/1387390926.db2.gz RDYFMZVZMNPELZ-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001399957547 1361611347 /nfs/dbraw/zinc/61/13/47/1361611347.db2.gz SIBMLNHCIJYXCT-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001399957547 1361611351 /nfs/dbraw/zinc/61/13/51/1361611351.db2.gz SIBMLNHCIJYXCT-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001399957547 1361611353 /nfs/dbraw/zinc/61/13/53/1361611353.db2.gz SIBMLNHCIJYXCT-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001399957547 1361611355 /nfs/dbraw/zinc/61/13/55/1361611355.db2.gz SIBMLNHCIJYXCT-QGZVFWFLSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001400099097 1361735926 /nfs/dbraw/zinc/73/59/26/1361735926.db2.gz GUTNLBMLBJPTGO-SFHVURJKSA-N 2 1 349.906 2.918 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001401294793 1362641144 /nfs/dbraw/zinc/64/11/44/1362641144.db2.gz GKDOUWRTUAGURV-YJBOKZPZSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001401294793 1362641147 /nfs/dbraw/zinc/64/11/47/1362641147.db2.gz GKDOUWRTUAGURV-YJBOKZPZSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001402077130 1363382107 /nfs/dbraw/zinc/38/21/07/1363382107.db2.gz NLXRGKWMXCBLEO-INIZCTEOSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771011 1364019437 /nfs/dbraw/zinc/01/94/37/1364019437.db2.gz CTPNUOZDVSKTFI-NVXWUHKLSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001403282967 1364496989 /nfs/dbraw/zinc/49/69/89/1364496989.db2.gz OLFKRMVKFJTQJC-QZTJIDSGSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001403282967 1364496991 /nfs/dbraw/zinc/49/69/91/1364496991.db2.gz OLFKRMVKFJTQJC-QZTJIDSGSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001404059220 1365215636 /nfs/dbraw/zinc/21/56/36/1365215636.db2.gz NUGOGKRYGHWCOV-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001404059220 1365215641 /nfs/dbraw/zinc/21/56/41/1365215641.db2.gz NUGOGKRYGHWCOV-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001404059220 1365215644 /nfs/dbraw/zinc/21/56/44/1365215644.db2.gz NUGOGKRYGHWCOV-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001404059220 1365215646 /nfs/dbraw/zinc/21/56/46/1365215646.db2.gz NUGOGKRYGHWCOV-MRXNPFEDSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001420498288 1377084151 /nfs/dbraw/zinc/08/41/51/1377084151.db2.gz XCPQHXUSRDIRPQ-MRXNPFEDSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001420498288 1377084154 /nfs/dbraw/zinc/08/41/54/1377084154.db2.gz XCPQHXUSRDIRPQ-MRXNPFEDSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001421550227 1378795540 /nfs/dbraw/zinc/79/55/40/1378795540.db2.gz OITUJBKPTDALIP-XIRDDKMYSA-N 2 1 341.927 2.593 20 30 EFEDMP CC[NH+]1CCC(C[N@H+](CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC001423196740 1381555933 /nfs/dbraw/zinc/55/59/33/1381555933.db2.gz LQOXAONBLWUJLG-UHFFFAOYSA-N 2 1 328.504 2.654 20 30 EFEDMP CC[NH+]1CCC(C[N@@H+](CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC001423196740 1381555946 /nfs/dbraw/zinc/55/59/46/1381555946.db2.gz LQOXAONBLWUJLG-UHFFFAOYSA-N 2 1 328.504 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001424562163 1383110302 /nfs/dbraw/zinc/11/03/02/1383110302.db2.gz WONMIVZUCGREIW-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001424562163 1383110314 /nfs/dbraw/zinc/11/03/14/1383110314.db2.gz WONMIVZUCGREIW-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001425963296 1383902393 /nfs/dbraw/zinc/90/23/93/1383902393.db2.gz VGJRCWVUHLPEKJ-CABCVRRESA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001440617011 1389776057 /nfs/dbraw/zinc/77/60/57/1389776057.db2.gz CRCFYOVRGLSCQJ-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001440617011 1389776059 /nfs/dbraw/zinc/77/60/59/1389776059.db2.gz CRCFYOVRGLSCQJ-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001447769184 1391754809 /nfs/dbraw/zinc/75/48/09/1391754809.db2.gz DJHIIDGBTUXAJR-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769184 1391754819 /nfs/dbraw/zinc/75/48/19/1391754819.db2.gz DJHIIDGBTUXAJR-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001447769184 1391754826 /nfs/dbraw/zinc/75/48/26/1391754826.db2.gz DJHIIDGBTUXAJR-DLBZAZTESA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865572 1401061604 /nfs/dbraw/zinc/06/16/04/1401061604.db2.gz XQORXWNZUQOBNN-HOTGVXAUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865572 1401061610 /nfs/dbraw/zinc/06/16/10/1401061610.db2.gz XQORXWNZUQOBNN-HOTGVXAUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865572 1401061612 /nfs/dbraw/zinc/06/16/12/1401061612.db2.gz XQORXWNZUQOBNN-HOTGVXAUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831910 1404385175 /nfs/dbraw/zinc/38/51/75/1404385175.db2.gz HBZYDUPZJFRUOC-OAHLLOKOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831910 1404385182 /nfs/dbraw/zinc/38/51/82/1404385182.db2.gz HBZYDUPZJFRUOC-OAHLLOKOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831910 1404385188 /nfs/dbraw/zinc/38/51/88/1404385188.db2.gz HBZYDUPZJFRUOC-OAHLLOKOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502831910 1404385194 /nfs/dbraw/zinc/38/51/94/1404385194.db2.gz HBZYDUPZJFRUOC-OAHLLOKOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505408687 1404566118 /nfs/dbraw/zinc/56/61/18/1404566118.db2.gz KTCWMWZVYWNZHB-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001717242665 1419284113 /nfs/dbraw/zinc/28/41/13/1419284113.db2.gz IYAQTTFCMZKMEH-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717707467 1419519970 /nfs/dbraw/zinc/51/99/70/1419519970.db2.gz VJWZVYGVFRFFLY-IBGZPJMESA-N 2 1 329.488 2.665 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC000969118419 712912532 /nfs/dbraw/zinc/91/25/32/712912532.db2.gz OMAOKABPRJOCQV-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118419 712912533 /nfs/dbraw/zinc/91/25/33/712912533.db2.gz OMAOKABPRJOCQV-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118419 712912535 /nfs/dbraw/zinc/91/25/35/712912535.db2.gz OMAOKABPRJOCQV-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153921 712940588 /nfs/dbraw/zinc/94/05/88/712940588.db2.gz SJARTEIXIPDKRV-HXUWFJFHSA-N 2 1 341.499 2.746 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153920 712940599 /nfs/dbraw/zinc/94/05/99/712940599.db2.gz SJARTEIXIPDKRV-FQEVSTJZSA-N 2 1 341.499 2.746 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155503 712942266 /nfs/dbraw/zinc/94/22/66/712942266.db2.gz AGLMWJLIFVBXIT-IBGZPJMESA-N 2 1 341.499 2.746 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158753 712943947 /nfs/dbraw/zinc/94/39/47/712943947.db2.gz SJRVTXJLJBXTNW-QGZVFWFLSA-N 2 1 345.487 2.729 20 30 EFEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969683425 713217565 /nfs/dbraw/zinc/21/75/65/713217565.db2.gz ZYXYXTMRTGKDFN-IAGOWNOFSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969834336 713275978 /nfs/dbraw/zinc/27/59/78/713275978.db2.gz XVBWMEFVNPDOJD-APWZRJJASA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159248 713602288 /nfs/dbraw/zinc/60/22/88/713602288.db2.gz IGMNZKNQSNNAOY-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC000980224525 717924615 /nfs/dbraw/zinc/92/46/15/717924615.db2.gz ZYQCWJFLUPLOEB-ZCNNSNEGSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980216382 717929903 /nfs/dbraw/zinc/92/99/03/717929903.db2.gz JOYVPDCYNSGCMB-XUVXKRRUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980216139 717929282 /nfs/dbraw/zinc/92/92/82/717929282.db2.gz QNIANKLTLDOITF-BBWFWOEESA-N 2 1 342.487 2.554 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205139 713918615 /nfs/dbraw/zinc/91/86/15/713918615.db2.gz KZOHGOYXHXDATQ-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205139 713918618 /nfs/dbraw/zinc/91/86/18/713918618.db2.gz KZOHGOYXHXDATQ-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205139 713918621 /nfs/dbraw/zinc/91/86/21/713918621.db2.gz KZOHGOYXHXDATQ-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001039222299 714032031 /nfs/dbraw/zinc/03/20/31/714032031.db2.gz DTKNLUDSXGOWOC-DLBZAZTESA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604042 714164578 /nfs/dbraw/zinc/16/45/78/714164578.db2.gz AFJSPBKQYANXCF-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634577 714212228 /nfs/dbraw/zinc/21/22/28/714212228.db2.gz CJZNTTXHSJIASA-APWZRJJASA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669939 714271668 /nfs/dbraw/zinc/27/16/68/714271668.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669939 714271671 /nfs/dbraw/zinc/27/16/71/714271671.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669939 714271675 /nfs/dbraw/zinc/27/16/75/714271675.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682829 714296596 /nfs/dbraw/zinc/29/65/96/714296596.db2.gz URXYZNAMCZRJNF-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682829 714296597 /nfs/dbraw/zinc/29/65/97/714296597.db2.gz URXYZNAMCZRJNF-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683278 714297541 /nfs/dbraw/zinc/29/75/41/714297541.db2.gz XLRCPPUAUUNRSM-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691664 714316476 /nfs/dbraw/zinc/31/64/76/714316476.db2.gz QMRMXVCTDVRCAD-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738504 714398942 /nfs/dbraw/zinc/39/89/42/714398942.db2.gz BQRMJCCWJMCWPZ-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947472144 715066895 /nfs/dbraw/zinc/06/68/95/715066895.db2.gz GAEQXCKKWPOEDO-HIFRSBDPSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947472144 715066896 /nfs/dbraw/zinc/06/68/96/715066896.db2.gz GAEQXCKKWPOEDO-HIFRSBDPSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005901 715239004 /nfs/dbraw/zinc/23/90/04/715239004.db2.gz ORGKDAWJWFIASZ-KRWDZBQOSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005901 715239005 /nfs/dbraw/zinc/23/90/05/715239005.db2.gz ORGKDAWJWFIASZ-KRWDZBQOSA-N 2 1 349.906 2.690 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000104155238 715254313 /nfs/dbraw/zinc/25/43/13/715254313.db2.gz VNYCFAHMYJXDMO-KRWDZBQOSA-N 2 1 326.444 2.595 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000104162740 715254410 /nfs/dbraw/zinc/25/44/10/715254410.db2.gz GTAOOCKYQRLUFM-KRWDZBQOSA-N 2 1 346.519 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044051 715447449 /nfs/dbraw/zinc/44/74/49/715447449.db2.gz WYBWZBQMJXDZLP-SJLPKXTDSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975044051 715447450 /nfs/dbraw/zinc/44/74/50/715447450.db2.gz WYBWZBQMJXDZLP-SJLPKXTDSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975063785 715464881 /nfs/dbraw/zinc/46/48/81/715464881.db2.gz QTAFKSDWYNKURX-IBGZPJMESA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409027 715699366 /nfs/dbraw/zinc/69/93/66/715699366.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409027 715699370 /nfs/dbraw/zinc/69/93/70/715699370.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409027 715699374 /nfs/dbraw/zinc/69/93/74/715699374.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027409027 715699381 /nfs/dbraw/zinc/69/93/81/715699381.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027409027 715699386 /nfs/dbraw/zinc/69/93/86/715699386.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972337732 715714107 /nfs/dbraw/zinc/71/41/07/715714107.db2.gz BQKWQBWLPRUCFI-IBGZPJMESA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027439613 715805285 /nfs/dbraw/zinc/80/52/85/715805285.db2.gz NHWSALXNPYRUQW-SJORKVTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439613 715805290 /nfs/dbraw/zinc/80/52/90/715805290.db2.gz NHWSALXNPYRUQW-SJORKVTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439613 715805294 /nfs/dbraw/zinc/80/52/94/715805294.db2.gz NHWSALXNPYRUQW-SJORKVTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439613 715805300 /nfs/dbraw/zinc/80/53/00/715805300.db2.gz NHWSALXNPYRUQW-SJORKVTESA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027444478 715820046 /nfs/dbraw/zinc/82/00/46/715820046.db2.gz RTXSYZQKKCGLGD-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444478 715820050 /nfs/dbraw/zinc/82/00/50/715820050.db2.gz RTXSYZQKKCGLGD-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444478 715820054 /nfs/dbraw/zinc/82/00/54/715820054.db2.gz RTXSYZQKKCGLGD-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444478 715820059 /nfs/dbraw/zinc/82/00/59/715820059.db2.gz RTXSYZQKKCGLGD-DLBZAZTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472100 715929988 /nfs/dbraw/zinc/92/99/88/715929988.db2.gz MZSZIKJXLYFMMU-QGZVFWFLSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473593 715942473 /nfs/dbraw/zinc/94/24/73/715942473.db2.gz OUSSVQLQQAQZNX-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473593 715942479 /nfs/dbraw/zinc/94/24/79/715942479.db2.gz OUSSVQLQQAQZNX-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473593 715942484 /nfs/dbraw/zinc/94/24/84/715942484.db2.gz OUSSVQLQQAQZNX-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473593 715942490 /nfs/dbraw/zinc/94/24/90/715942490.db2.gz OUSSVQLQQAQZNX-IRXDYDNUSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972476687 715997513 /nfs/dbraw/zinc/99/75/13/715997513.db2.gz DETYGHDLHAFMNW-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972476687 715997516 /nfs/dbraw/zinc/99/75/16/715997516.db2.gz DETYGHDLHAFMNW-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647315 716306314 /nfs/dbraw/zinc/30/63/14/716306314.db2.gz NMAMFBFSLIPSQY-ICSRJNTNSA-N 2 1 329.488 2.572 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646332 716312951 /nfs/dbraw/zinc/31/29/51/716312951.db2.gz FKUUKVISETXPOP-TZIWHRDSSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646331 716313525 /nfs/dbraw/zinc/31/35/25/716313525.db2.gz FKUUKVISETXPOP-PZJWPPBQSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641289 716432585 /nfs/dbraw/zinc/43/25/85/716432585.db2.gz NDGIMRXBNIOGKM-SFHVURJKSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654938 716446640 /nfs/dbraw/zinc/44/66/40/716446640.db2.gz NJEJAKAVQOMPJG-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978803243 716456284 /nfs/dbraw/zinc/45/62/84/716456284.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803243 716456289 /nfs/dbraw/zinc/45/62/89/716456289.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803243 716456294 /nfs/dbraw/zinc/45/62/94/716456294.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454358 716489955 /nfs/dbraw/zinc/48/99/55/716489955.db2.gz SZEIZNQCNFGCFH-INIZCTEOSA-N 2 1 326.444 2.661 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697272 716570068 /nfs/dbraw/zinc/57/00/68/716570068.db2.gz VBXYXSPUJAGFFL-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697272 716570070 /nfs/dbraw/zinc/57/00/70/716570070.db2.gz VBXYXSPUJAGFFL-RTBURBONSA-N 2 1 329.488 2.788 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552246 716615283 /nfs/dbraw/zinc/61/52/83/716615283.db2.gz BQHVYGLDNMCKTC-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552246 716615287 /nfs/dbraw/zinc/61/52/87/716615287.db2.gz BQHVYGLDNMCKTC-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552246 716615291 /nfs/dbraw/zinc/61/52/91/716615291.db2.gz BQHVYGLDNMCKTC-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552725 716615858 /nfs/dbraw/zinc/61/58/58/716615858.db2.gz MBILSASEZJRMKZ-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552725 716615862 /nfs/dbraw/zinc/61/58/62/716615862.db2.gz MBILSASEZJRMKZ-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552725 716615867 /nfs/dbraw/zinc/61/58/67/716615867.db2.gz MBILSASEZJRMKZ-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588841 716661649 /nfs/dbraw/zinc/66/16/49/716661649.db2.gz MYFDZYFIJMYCRB-LJQANCHMSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001023588004 716665365 /nfs/dbraw/zinc/66/53/65/716665365.db2.gz PQMMJFOZYAEVAF-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588004 716665368 /nfs/dbraw/zinc/66/53/68/716665368.db2.gz PQMMJFOZYAEVAF-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588004 716665370 /nfs/dbraw/zinc/66/53/70/716665370.db2.gz PQMMJFOZYAEVAF-QZTJIDSGSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632861 716745968 /nfs/dbraw/zinc/74/59/68/716745968.db2.gz QOWRTCRROVJNHO-DLBZAZTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632861 716745973 /nfs/dbraw/zinc/74/59/73/716745973.db2.gz QOWRTCRROVJNHO-DLBZAZTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632861 716745976 /nfs/dbraw/zinc/74/59/76/716745976.db2.gz QOWRTCRROVJNHO-DLBZAZTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632861 716745982 /nfs/dbraw/zinc/74/59/82/716745982.db2.gz QOWRTCRROVJNHO-DLBZAZTESA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646450 716765063 /nfs/dbraw/zinc/76/50/63/716765063.db2.gz NGDHFQWWRVDMLQ-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647033 716765468 /nfs/dbraw/zinc/76/54/68/716765468.db2.gz SXXPIXHCGUDYJN-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769963 716990875 /nfs/dbraw/zinc/99/08/75/716990875.db2.gz MLCNJXXDKNGPPB-QGZVFWFLSA-N 2 1 345.487 2.587 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000972702827 717126854 /nfs/dbraw/zinc/12/68/54/717126854.db2.gz ZDGMLXGBSJLGJT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972702827 717126855 /nfs/dbraw/zinc/12/68/55/717126855.db2.gz ZDGMLXGBSJLGJT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972702827 717126858 /nfs/dbraw/zinc/12/68/58/717126858.db2.gz ZDGMLXGBSJLGJT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972702827 717126859 /nfs/dbraw/zinc/12/68/59/717126859.db2.gz ZDGMLXGBSJLGJT-SJORKVTESA-N 2 1 341.927 2.926 20 30 EFEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176968472 717331636 /nfs/dbraw/zinc/33/16/36/717331636.db2.gz NSOLVYLALOMIDJ-GFCCVEGCSA-N 2 1 346.397 2.720 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440080 717738294 /nfs/dbraw/zinc/73/82/94/717738294.db2.gz KGGCKAMLXQADEK-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440080 717738296 /nfs/dbraw/zinc/73/82/96/717738296.db2.gz KGGCKAMLXQADEK-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440080 717738300 /nfs/dbraw/zinc/73/83/00/717738300.db2.gz KGGCKAMLXQADEK-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440376 717738593 /nfs/dbraw/zinc/73/85/93/717738593.db2.gz ORJADLVMIXAOJD-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462990 717768188 /nfs/dbraw/zinc/76/81/88/717768188.db2.gz XEKCJZSGUCTLEA-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462990 717768192 /nfs/dbraw/zinc/76/81/92/717768192.db2.gz XEKCJZSGUCTLEA-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479264 717792642 /nfs/dbraw/zinc/79/26/42/717792642.db2.gz CYWRXNVATNRMHB-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479264 717792646 /nfs/dbraw/zinc/79/26/46/717792646.db2.gz CYWRXNVATNRMHB-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479264 717792650 /nfs/dbraw/zinc/79/26/50/717792650.db2.gz CYWRXNVATNRMHB-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980144965 717793748 /nfs/dbraw/zinc/79/37/48/717793748.db2.gz RWCPYZAVPUVURA-OKZBNKHCSA-N 2 1 338.455 2.741 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024487141 717810797 /nfs/dbraw/zinc/81/07/97/717810797.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168370 717834900 /nfs/dbraw/zinc/83/49/00/717834900.db2.gz NKLLNIVNXKSGAB-KSZLIROESA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980182218 717850859 /nfs/dbraw/zinc/85/08/59/717850859.db2.gz CDXVWBQFUNCMJO-IPMKNSEASA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980173741 717857488 /nfs/dbraw/zinc/85/74/88/717857488.db2.gz SRDLZJCAFCEVEG-OKZBNKHCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980173739 717857713 /nfs/dbraw/zinc/85/77/13/717857713.db2.gz SRDLZJCAFCEVEG-KSZLIROESA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187566 717875946 /nfs/dbraw/zinc/87/59/46/717875946.db2.gz OZFQYDILOMGCOQ-GBESFXJTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187963 717876998 /nfs/dbraw/zinc/87/69/98/717876998.db2.gz KWKZOGUOGWTGLL-GBESFXJTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980188099 717877064 /nfs/dbraw/zinc/87/70/64/717877064.db2.gz RHFGPCOBSXZRBP-BZSNNMDCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980188099 717877069 /nfs/dbraw/zinc/87/70/69/717877069.db2.gz RHFGPCOBSXZRBP-BZSNNMDCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980188863 717877521 /nfs/dbraw/zinc/87/75/21/717877521.db2.gz UKTPPTDKRFAJAM-SLFFLAALSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980188865 717877667 /nfs/dbraw/zinc/87/76/67/717877667.db2.gz UKTPPTDKRFAJAM-XUVXKRRUSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722906 717884038 /nfs/dbraw/zinc/88/40/38/717884038.db2.gz NBPHYXCLWYVNGW-LPHOPBHVSA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001024535291 717891151 /nfs/dbraw/zinc/89/11/51/717891151.db2.gz PZGAQKCDLCQSMP-OAHLLOKOSA-N 2 1 332.835 2.671 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647745 718055697 /nfs/dbraw/zinc/05/56/97/718055697.db2.gz UACFBYRAENNHOM-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647745 718055702 /nfs/dbraw/zinc/05/57/02/718055702.db2.gz UACFBYRAENNHOM-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649384 718062783 /nfs/dbraw/zinc/06/27/83/718062783.db2.gz SRPDAOOECNHXMA-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913910 718071602 /nfs/dbraw/zinc/07/16/02/718071602.db2.gz PPISMUUTAKEBRC-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913910 718071604 /nfs/dbraw/zinc/07/16/04/718071604.db2.gz PPISMUUTAKEBRC-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913910 718071607 /nfs/dbraw/zinc/07/16/07/718071607.db2.gz PPISMUUTAKEBRC-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001024812419 718175417 /nfs/dbraw/zinc/17/54/17/718175417.db2.gz OSHYOMRFWGIIDE-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(CC)CC)CC1 ZINC001024812608 718175570 /nfs/dbraw/zinc/17/55/70/718175570.db2.gz PZBOJFPJNKWFLQ-FQEVSTJZSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818954 718179864 /nfs/dbraw/zinc/17/98/64/718179864.db2.gz ITMDRXVLPRUEMP-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000985497248 724495659 /nfs/dbraw/zinc/49/56/59/724495659.db2.gz UPJKNUVTPOHVBH-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000985497248 724495661 /nfs/dbraw/zinc/49/56/61/724495661.db2.gz UPJKNUVTPOHVBH-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000985497248 724495662 /nfs/dbraw/zinc/49/56/62/724495662.db2.gz UPJKNUVTPOHVBH-DLBZAZTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240496 718460239 /nfs/dbraw/zinc/46/02/39/718460239.db2.gz PGAYXQJBZTXNAW-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258692 718474989 /nfs/dbraw/zinc/47/49/89/718474989.db2.gz IFOJSOWXXUSEMX-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258692 718474991 /nfs/dbraw/zinc/47/49/91/718474991.db2.gz IFOJSOWXXUSEMX-MSOLQXFVSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253548 718479382 /nfs/dbraw/zinc/47/93/82/718479382.db2.gz WABYMQVSFIUSMD-QZTJIDSGSA-N 2 1 344.503 2.774 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197425 718485427 /nfs/dbraw/zinc/48/54/27/718485427.db2.gz AZGGLWXKBPXTQL-KRWDZBQOSA-N 2 1 332.492 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197425 718485428 /nfs/dbraw/zinc/48/54/28/718485428.db2.gz AZGGLWXKBPXTQL-KRWDZBQOSA-N 2 1 332.492 2.897 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265282 718486313 /nfs/dbraw/zinc/48/63/13/718486313.db2.gz DYBRKCSJISUHCB-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265282 718486314 /nfs/dbraw/zinc/48/63/14/718486314.db2.gz DYBRKCSJISUHCB-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265282 718486315 /nfs/dbraw/zinc/48/63/15/718486315.db2.gz DYBRKCSJISUHCB-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045356 718489563 /nfs/dbraw/zinc/48/95/63/718489563.db2.gz FLZWBJNKXIPXEV-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049410 718508118 /nfs/dbraw/zinc/50/81/18/718508118.db2.gz RWMUHRADDXAPMW-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288916 718526372 /nfs/dbraw/zinc/52/63/72/718526372.db2.gz MQGPCKMQWUQHMN-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293068 718533462 /nfs/dbraw/zinc/53/34/62/718533462.db2.gz AFCQZNWPTDKDJP-DLBZAZTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293068 718533466 /nfs/dbraw/zinc/53/34/66/718533466.db2.gz AFCQZNWPTDKDJP-DLBZAZTESA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981364538 718665694 /nfs/dbraw/zinc/66/56/94/718665694.db2.gz ODHQGAMRQSEJTF-LSDHHAIUSA-N 2 1 338.883 2.776 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433284 718836999 /nfs/dbraw/zinc/83/69/99/718836999.db2.gz MFPFXTGAUMGVEU-CVEARBPZSA-N 2 1 347.528 2.663 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766854 719014790 /nfs/dbraw/zinc/01/47/90/719014790.db2.gz ARQLHWUZGCQPEF-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981766854 719014794 /nfs/dbraw/zinc/01/47/94/719014794.db2.gz ARQLHWUZGCQPEF-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981766854 719014799 /nfs/dbraw/zinc/01/47/99/719014799.db2.gz ARQLHWUZGCQPEF-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766853 719015095 /nfs/dbraw/zinc/01/50/95/719015095.db2.gz ARQLHWUZGCQPEF-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981766853 719015100 /nfs/dbraw/zinc/01/51/00/719015100.db2.gz ARQLHWUZGCQPEF-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981766853 719015104 /nfs/dbraw/zinc/01/51/04/719015104.db2.gz ARQLHWUZGCQPEF-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558334 719124928 /nfs/dbraw/zinc/12/49/28/719124928.db2.gz MIWOMPGDENZIJO-PXNSSMCTSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583673 719165090 /nfs/dbraw/zinc/16/50/90/719165090.db2.gz AXXYSWZQKQDBBC-IEBWSBKVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593861 719190085 /nfs/dbraw/zinc/19/00/85/719190085.db2.gz WLDCYIGSFZBFTR-PXNSSMCTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596407 719194830 /nfs/dbraw/zinc/19/48/30/719194830.db2.gz BWIQBOIIBDCEDX-HOTGVXAUSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596407 719194833 /nfs/dbraw/zinc/19/48/33/719194833.db2.gz BWIQBOIIBDCEDX-HOTGVXAUSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628685 719251630 /nfs/dbraw/zinc/25/16/30/719251630.db2.gz TYYJOLZRVQMLLJ-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051855 719505753 /nfs/dbraw/zinc/50/57/53/719505753.db2.gz VCHREYBXXZGFGW-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051855 719505757 /nfs/dbraw/zinc/50/57/57/719505757.db2.gz VCHREYBXXZGFGW-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052615 719506987 /nfs/dbraw/zinc/50/69/87/719506987.db2.gz SASRCYYSMCJKHD-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052614 719507425 /nfs/dbraw/zinc/50/74/25/719507425.db2.gz SASRCYYSMCJKHD-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062733 719516766 /nfs/dbraw/zinc/51/67/66/719516766.db2.gz CZZHUOYCHKZQER-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062733 719516770 /nfs/dbraw/zinc/51/67/70/719516770.db2.gz CZZHUOYCHKZQER-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062733 719516773 /nfs/dbraw/zinc/51/67/73/719516773.db2.gz CZZHUOYCHKZQER-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062735 719516981 /nfs/dbraw/zinc/51/69/81/719516981.db2.gz CZZHUOYCHKZQER-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982062735 719516984 /nfs/dbraw/zinc/51/69/84/719516984.db2.gz CZZHUOYCHKZQER-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062735 719516987 /nfs/dbraw/zinc/51/69/87/719516987.db2.gz CZZHUOYCHKZQER-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982100066 719555167 /nfs/dbraw/zinc/55/51/67/719555167.db2.gz RZGJISWPYHPBMM-UHFFFAOYSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099800 719555348 /nfs/dbraw/zinc/55/53/48/719555348.db2.gz JTSFXKFHSQJDDZ-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116258 719573621 /nfs/dbraw/zinc/57/36/21/719573621.db2.gz IMMLDRXQPWVNCC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162633 719607792 /nfs/dbraw/zinc/60/77/92/719607792.db2.gz XBQJVBHNJWQVFJ-IYBDPMFKSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162633 719607795 /nfs/dbraw/zinc/60/77/95/719607795.db2.gz XBQJVBHNJWQVFJ-IYBDPMFKSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162633 719607799 /nfs/dbraw/zinc/60/77/99/719607799.db2.gz XBQJVBHNJWQVFJ-IYBDPMFKSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162633 719607802 /nfs/dbraw/zinc/60/78/02/719607802.db2.gz XBQJVBHNJWQVFJ-IYBDPMFKSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982161571 719620452 /nfs/dbraw/zinc/62/04/52/719620452.db2.gz WJOKBFXZYUCBPA-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281501 719796201 /nfs/dbraw/zinc/79/62/01/719796201.db2.gz ZCWOMXNWMHEEFG-OYRHEFFESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292535 719822999 /nfs/dbraw/zinc/82/29/99/719822999.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292535 719823005 /nfs/dbraw/zinc/82/30/05/719823005.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292535 719823012 /nfs/dbraw/zinc/82/30/12/719823012.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295268 719835914 /nfs/dbraw/zinc/83/59/14/719835914.db2.gz PDTNAUUAJWPQGE-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295268 719835920 /nfs/dbraw/zinc/83/59/20/719835920.db2.gz PDTNAUUAJWPQGE-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295268 719835926 /nfs/dbraw/zinc/83/59/26/719835926.db2.gz PDTNAUUAJWPQGE-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306482 719875913 /nfs/dbraw/zinc/87/59/13/719875913.db2.gz RYYMAVJFJPIIGN-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306482 719875918 /nfs/dbraw/zinc/87/59/18/719875918.db2.gz RYYMAVJFJPIIGN-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306482 719875922 /nfs/dbraw/zinc/87/59/22/719875922.db2.gz RYYMAVJFJPIIGN-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1 ZINC000982344318 719945002 /nfs/dbraw/zinc/94/50/02/719945002.db2.gz ZOWOYRFTDPBTPJ-BGYRXZFFSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001026298827 720179940 /nfs/dbraw/zinc/17/99/40/720179940.db2.gz QKHIUMJUWUNYEB-CGTJXYLNSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982617510 720942243 /nfs/dbraw/zinc/94/22/43/720942243.db2.gz OCFOHKCEIJXDQC-OYRHEFFESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600068 721199158 /nfs/dbraw/zinc/19/91/58/721199158.db2.gz GECKAVXCYGYKDA-AEFFLSMTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600068 721199160 /nfs/dbraw/zinc/19/91/60/721199160.db2.gz GECKAVXCYGYKDA-AEFFLSMTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600068 721199163 /nfs/dbraw/zinc/19/91/63/721199163.db2.gz GECKAVXCYGYKDA-AEFFLSMTSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595482 721262319 /nfs/dbraw/zinc/26/23/19/721262319.db2.gz ZMKKEUKYBFRZCY-WBVHZDCISA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595482 721262324 /nfs/dbraw/zinc/26/23/24/721262324.db2.gz ZMKKEUKYBFRZCY-WBVHZDCISA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595482 721262328 /nfs/dbraw/zinc/26/23/28/721262328.db2.gz ZMKKEUKYBFRZCY-WBVHZDCISA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595482 721262331 /nfs/dbraw/zinc/26/23/31/721262331.db2.gz ZMKKEUKYBFRZCY-WBVHZDCISA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982830867 721301461 /nfs/dbraw/zinc/30/14/61/721301461.db2.gz BOORBXNLBXISLV-BGYRXZFFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831077 721302802 /nfs/dbraw/zinc/30/28/02/721302802.db2.gz GBDXAWQNVIWJSQ-OYRHEFFESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831416 721303965 /nfs/dbraw/zinc/30/39/65/721303965.db2.gz KYORPRKPOZKFIV-UKAVVXHISA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833001 721307228 /nfs/dbraw/zinc/30/72/28/721307228.db2.gz AOHXSKRVEGYCBR-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821381 721457000 /nfs/dbraw/zinc/45/70/00/721457000.db2.gz CHJXTINIJLTIAA-SFHVURJKSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821381 721457001 /nfs/dbraw/zinc/45/70/01/721457001.db2.gz CHJXTINIJLTIAA-SFHVURJKSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821378 721457012 /nfs/dbraw/zinc/45/70/12/721457012.db2.gz CHJXTINIJLTIAA-GOSISDBHSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821378 721457013 /nfs/dbraw/zinc/45/70/13/721457013.db2.gz CHJXTINIJLTIAA-GOSISDBHSA-N 2 1 344.503 2.555 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862687 721484606 /nfs/dbraw/zinc/48/46/06/721484606.db2.gz KXFUSAWUEJBYAR-IBGZPJMESA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862804 721484841 /nfs/dbraw/zinc/48/48/41/721484841.db2.gz LYEINZXIJTXGEB-LJQANCHMSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756020 721937674 /nfs/dbraw/zinc/93/76/74/721937674.db2.gz ZFBSIRYPTVJJIT-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028756020 721937675 /nfs/dbraw/zinc/93/76/75/721937675.db2.gz ZFBSIRYPTVJJIT-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028756020 721937677 /nfs/dbraw/zinc/93/76/77/721937677.db2.gz ZFBSIRYPTVJJIT-PKOBYXMFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870941 722063228 /nfs/dbraw/zinc/06/32/28/722063228.db2.gz YWLVQJMNCWYLBN-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919445 722096868 /nfs/dbraw/zinc/09/68/68/722096868.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919445 722096860 /nfs/dbraw/zinc/09/68/60/722096860.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919445 722096862 /nfs/dbraw/zinc/09/68/62/722096862.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919445 722096864 /nfs/dbraw/zinc/09/68/64/722096864.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919445 722096865 /nfs/dbraw/zinc/09/68/65/722096865.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000803 722617330 /nfs/dbraw/zinc/61/73/30/722617330.db2.gz KEMWEPTUCZYPJG-INIZCTEOSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000803 722617333 /nfs/dbraw/zinc/61/73/33/722617333.db2.gz KEMWEPTUCZYPJG-INIZCTEOSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801464 723338952 /nfs/dbraw/zinc/33/89/52/723338952.db2.gz NHQBRJYAXLPVIE-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985804545 724899554 /nfs/dbraw/zinc/89/95/54/724899554.db2.gz RLMFHHYDBBDJMI-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067691 728939269 /nfs/dbraw/zinc/93/92/69/728939269.db2.gz YWHMETGZULPFLV-WMZOPIPTSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009480 725460296 /nfs/dbraw/zinc/46/02/96/725460296.db2.gz HPOYLDDJLOIEPD-IRFCIJBXSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992146550 725562880 /nfs/dbraw/zinc/56/28/80/725562880.db2.gz HKQIJDVKDILVOZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992146550 725562883 /nfs/dbraw/zinc/56/28/83/725562883.db2.gz HKQIJDVKDILVOZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992146550 725562885 /nfs/dbraw/zinc/56/28/85/725562885.db2.gz HKQIJDVKDILVOZ-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169967 725584886 /nfs/dbraw/zinc/58/48/86/725584886.db2.gz HJKBYHCFPLFINA-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169967 725584889 /nfs/dbraw/zinc/58/48/89/725584889.db2.gz HJKBYHCFPLFINA-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169967 725584893 /nfs/dbraw/zinc/58/48/93/725584893.db2.gz HJKBYHCFPLFINA-FXAWDEMLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@H]12 ZINC000992239044 725638693 /nfs/dbraw/zinc/63/86/93/725638693.db2.gz HSNZUZLBLRRQLQ-ZTRFORPCSA-N 2 1 342.487 2.603 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262220 725655391 /nfs/dbraw/zinc/65/53/91/725655391.db2.gz RCIOIFDYFFGBCX-LPHOPBHVSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262220 725655392 /nfs/dbraw/zinc/65/53/92/725655392.db2.gz RCIOIFDYFFGBCX-LPHOPBHVSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040724796 725705861 /nfs/dbraw/zinc/70/58/61/725705861.db2.gz WLCGTWSYJJBXIT-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992815752 726252893 /nfs/dbraw/zinc/25/28/93/726252893.db2.gz KRNLMYZCFHKDGM-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992815736 726252913 /nfs/dbraw/zinc/25/29/13/726252913.db2.gz KRNLMYZCFHKDGM-FGTMMUONSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992819998 726268033 /nfs/dbraw/zinc/26/80/33/726268033.db2.gz GPOLIRXTVFAXTO-RCCFBDPRSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498547 727283757 /nfs/dbraw/zinc/28/37/57/727283757.db2.gz FYBWOUUHEGIBCZ-MAUKXSAKSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993617017 727327164 /nfs/dbraw/zinc/32/71/64/727327164.db2.gz RUGRRFHOLFXAAI-QAPCUYQASA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630192 727348490 /nfs/dbraw/zinc/34/84/90/727348490.db2.gz KNSXLVKKULWFSV-YLJYHZDGSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993703154 727499980 /nfs/dbraw/zinc/49/99/80/727499980.db2.gz LCGUMNBMMQHTJF-NVXWUHKLSA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993703154 727499982 /nfs/dbraw/zinc/49/99/82/727499982.db2.gz LCGUMNBMMQHTJF-NVXWUHKLSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098903 728300121 /nfs/dbraw/zinc/30/01/21/728300121.db2.gz CNPZIEKGXFQLCO-HOCLYGCPSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000947771178 728309395 /nfs/dbraw/zinc/30/93/95/728309395.db2.gz HLVXKXRFAHNMJB-HUUCEWRRSA-N 2 1 338.883 2.728 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174101 728343805 /nfs/dbraw/zinc/34/38/05/728343805.db2.gz UDJOMAGIUKFXKE-ZWKOTPCHSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205684 728366116 /nfs/dbraw/zinc/36/61/16/728366116.db2.gz VQKHLFUXMBQXIM-KSSFIOAISA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)c2ccn3cncc3c2)[C@@H](C)C1 ZINC000942285945 728390338 /nfs/dbraw/zinc/39/03/38/728390338.db2.gz GIHOVRCUJIQKNL-LRDDRELGSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435459 728417965 /nfs/dbraw/zinc/41/79/65/728417965.db2.gz LTUIDDHQLJNPPW-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435459 728417966 /nfs/dbraw/zinc/41/79/66/728417966.db2.gz LTUIDDHQLJNPPW-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435459 728417968 /nfs/dbraw/zinc/41/79/68/728417968.db2.gz LTUIDDHQLJNPPW-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000170903805 728493598 /nfs/dbraw/zinc/49/35/98/728493598.db2.gz ZPOIHNSPTSUOGO-INIZCTEOSA-N 2 1 332.492 2.612 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829070 728528546 /nfs/dbraw/zinc/52/85/46/728528546.db2.gz CQMSKVGSGGNQHK-MOPGFXCFSA-N 2 1 333.520 2.587 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070492 729475387 /nfs/dbraw/zinc/47/53/87/729475387.db2.gz PXWUQGZCFHZZAR-FXAWDEMLSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823878142 946499133 /nfs/dbraw/zinc/49/91/33/946499133.db2.gz QQUPKESYTCXWMD-AWEZNQCLSA-N 2 1 326.448 2.558 20 30 EFEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570478315 1086269190 /nfs/dbraw/zinc/26/91/90/1086269190.db2.gz NIICHSALRPUZIS-RBUKOAKNSA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570478315 1086269195 /nfs/dbraw/zinc/26/91/95/1086269195.db2.gz NIICHSALRPUZIS-RBUKOAKNSA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001574852643 1088121846 /nfs/dbraw/zinc/12/18/46/1088121846.db2.gz XHGURLUKVUIUMU-ZWKOTPCHSA-N 2 1 349.906 2.825 20 30 EFEDMP N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC001580078274 1090765595 /nfs/dbraw/zinc/76/55/95/1090765595.db2.gz SCAKLOBLYNNOOC-DFQSSKMNSA-N 2 1 343.471 2.688 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422537 1092958940 /nfs/dbraw/zinc/95/89/40/1092958940.db2.gz XRVFGCUIAJMWGC-JFIYKMOQSA-N 2 1 332.492 2.620 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454545 1093052402 /nfs/dbraw/zinc/05/24/02/1093052402.db2.gz XOXQMGVCPYVNMK-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454545 1093052409 /nfs/dbraw/zinc/05/24/09/1093052409.db2.gz XOXQMGVCPYVNMK-GOSISDBHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075456125 1093159482 /nfs/dbraw/zinc/15/94/82/1093159482.db2.gz ZJINZXQMVXCBON-GOSISDBHSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075456125 1093159488 /nfs/dbraw/zinc/15/94/88/1093159488.db2.gz ZJINZXQMVXCBON-GOSISDBHSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515108 1093196330 /nfs/dbraw/zinc/19/63/30/1093196330.db2.gz VJUSGBWMJVXQLU-ZJOUEHCJSA-N 2 1 347.547 2.903 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229582 /nfs/dbraw/zinc/22/95/82/1093229582.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229590 /nfs/dbraw/zinc/22/95/90/1093229590.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229596 /nfs/dbraw/zinc/22/95/96/1093229596.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516257 1093528875 /nfs/dbraw/zinc/52/88/75/1093528875.db2.gz AORRFVSHCPVVMF-JPLJXNOCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530343 1094873209 /nfs/dbraw/zinc/87/32/09/1094873209.db2.gz PKFIZUCUTSBVQH-RXVVDRJESA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001481521833 1095091487 /nfs/dbraw/zinc/09/14/87/1095091487.db2.gz SYWAWZYBNJAUDF-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303207 1095160357 /nfs/dbraw/zinc/16/03/57/1095160357.db2.gz HYESMLRGRHDTAK-QRQLOZEOSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303207 1095160361 /nfs/dbraw/zinc/16/03/61/1095160361.db2.gz HYESMLRGRHDTAK-QRQLOZEOSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303207 1095160367 /nfs/dbraw/zinc/16/03/67/1095160367.db2.gz HYESMLRGRHDTAK-QRQLOZEOSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303008 1095161532 /nfs/dbraw/zinc/16/15/32/1095161532.db2.gz FCMFBYRPJWQFHX-NJAFHUGGSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303008 1095161539 /nfs/dbraw/zinc/16/15/39/1095161539.db2.gz FCMFBYRPJWQFHX-NJAFHUGGSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303008 1095161544 /nfs/dbraw/zinc/16/15/44/1095161544.db2.gz FCMFBYRPJWQFHX-NJAFHUGGSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306353 1095191500 /nfs/dbraw/zinc/19/15/00/1095191500.db2.gz HUNZQHDDYJMFLL-KBAYOESNSA-N 2 1 344.503 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306353 1095191506 /nfs/dbraw/zinc/19/15/06/1095191506.db2.gz HUNZQHDDYJMFLL-KBAYOESNSA-N 2 1 344.503 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307336 1095202982 /nfs/dbraw/zinc/20/29/82/1095202982.db2.gz YDPDOMGZMXGASY-HOJAQTOUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309217 1095234287 /nfs/dbraw/zinc/23/42/87/1095234287.db2.gz CPQXCGSAULVGDF-HOJAQTOUSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317679 1095316096 /nfs/dbraw/zinc/31/60/96/1095316096.db2.gz LHKCFQADBHQOHJ-NEWSRXKRSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317678 1095318158 /nfs/dbraw/zinc/31/81/58/1095318158.db2.gz LHKCFQADBHQOHJ-BHIYHBOVSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573149 1096116695 /nfs/dbraw/zinc/11/66/95/1096116695.db2.gz JKACCJAWXNGIOC-QRVBRYPASA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001482242276 1098439629 /nfs/dbraw/zinc/43/96/29/1098439629.db2.gz CIMSWOOISZBCLE-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896022 1098930029 /nfs/dbraw/zinc/93/00/29/1098930029.db2.gz JAQIDFNBXGXFKJ-VAMGGRTRSA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896021 1098930840 /nfs/dbraw/zinc/93/08/40/1098930840.db2.gz JAQIDFNBXGXFKJ-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896413 1098931506 /nfs/dbraw/zinc/93/15/06/1098931506.db2.gz XSANOOIVRXGQKF-AQNXPRMDSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737431 1098973933 /nfs/dbraw/zinc/97/39/33/1098973933.db2.gz SWGRYLGVTSCKJT-SFHVURJKSA-N 2 1 335.536 2.951 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932627 1099069185 /nfs/dbraw/zinc/06/91/85/1099069185.db2.gz DWOPSQYLGRRQAO-GDBMZVCRSA-N 2 1 329.916 2.545 20 30 EFEDMP N#Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973413 1099352970 /nfs/dbraw/zinc/35/29/70/1099352970.db2.gz KAYYKNCPZIVVNP-YQQQUEKLSA-N 2 1 325.456 2.932 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097643 1099684981 /nfs/dbraw/zinc/68/49/81/1099684981.db2.gz VJOHLBQLWYESNB-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097643 1099684987 /nfs/dbraw/zinc/68/49/87/1099684987.db2.gz VJOHLBQLWYESNB-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105393873 1100336752 /nfs/dbraw/zinc/33/67/52/1100336752.db2.gz KBGSIUANDBKRDX-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395667 1100556855 /nfs/dbraw/zinc/55/68/55/1100556855.db2.gz CNFYZPNLFPLTAT-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087591177 1100567776 /nfs/dbraw/zinc/56/77/76/1100567776.db2.gz RXKQELZYLXCNEY-JKSUJKDBSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087591177 1100567781 /nfs/dbraw/zinc/56/77/81/1100567781.db2.gz RXKQELZYLXCNEY-JKSUJKDBSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601373 1100580181 /nfs/dbraw/zinc/58/01/81/1100580181.db2.gz NZXMOILPCOIHMS-YESZJQIVSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601373 1100580184 /nfs/dbraw/zinc/58/01/84/1100580184.db2.gz NZXMOILPCOIHMS-YESZJQIVSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601373 1100580188 /nfs/dbraw/zinc/58/01/88/1100580188.db2.gz NZXMOILPCOIHMS-YESZJQIVSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601373 1100580193 /nfs/dbraw/zinc/58/01/93/1100580193.db2.gz NZXMOILPCOIHMS-YESZJQIVSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602557 1100580881 /nfs/dbraw/zinc/58/08/81/1100580881.db2.gz UNMBUSDHNSYPGG-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602284 1100580959 /nfs/dbraw/zinc/58/09/59/1100580959.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602284 1100580962 /nfs/dbraw/zinc/58/09/62/1100580962.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602284 1100580967 /nfs/dbraw/zinc/58/09/67/1100580967.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602285 1100581326 /nfs/dbraw/zinc/58/13/26/1100581326.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602285 1100581330 /nfs/dbraw/zinc/58/13/30/1100581330.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602285 1100581336 /nfs/dbraw/zinc/58/13/36/1100581336.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791095 1100774483 /nfs/dbraw/zinc/77/44/83/1100774483.db2.gz VSWJKSMYLACZRG-RBUKOAKNSA-N 2 1 333.520 2.654 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792224 1100775419 /nfs/dbraw/zinc/77/54/19/1100775419.db2.gz UBCJBFWSIXLXSK-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792224 1100775421 /nfs/dbraw/zinc/77/54/21/1100775421.db2.gz UBCJBFWSIXLXSK-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792224 1100775425 /nfs/dbraw/zinc/77/54/25/1100775425.db2.gz UBCJBFWSIXLXSK-IPMKNSEASA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845032 1100864810 /nfs/dbraw/zinc/86/48/10/1100864810.db2.gz BXIQGCRZEQUPNO-ZWKOTPCHSA-N 2 1 345.487 2.727 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023077 1101209635 /nfs/dbraw/zinc/20/96/35/1101209635.db2.gz MWXDNTKLIQORNV-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023077 1101209639 /nfs/dbraw/zinc/20/96/39/1101209639.db2.gz MWXDNTKLIQORNV-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023077 1101209644 /nfs/dbraw/zinc/20/96/44/1101209644.db2.gz MWXDNTKLIQORNV-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130017 1101623053 /nfs/dbraw/zinc/62/30/53/1101623053.db2.gz RYVIKCBYXDQGML-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130017 1101623062 /nfs/dbraw/zinc/62/30/62/1101623062.db2.gz RYVIKCBYXDQGML-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437985 1101738203 /nfs/dbraw/zinc/73/82/03/1101738203.db2.gz LCYBYJOGGXCNCY-JKSUJKDBSA-N 2 1 339.911 2.632 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212660 1101890718 /nfs/dbraw/zinc/89/07/18/1101890718.db2.gz GPJCYITYOSPASC-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212919 1101891823 /nfs/dbraw/zinc/89/18/23/1101891823.db2.gz AUBGQZMPYAGTMW-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212919 1101891838 /nfs/dbraw/zinc/89/18/38/1101891838.db2.gz AUBGQZMPYAGTMW-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104363048 1102215404 /nfs/dbraw/zinc/21/54/04/1102215404.db2.gz WMMVJJVJANKMLU-UKRRQHHQSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001482497313 1102350387 /nfs/dbraw/zinc/35/03/87/1102350387.db2.gz DHLCFBBHLFNREW-HOCLYGCPSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291712 1102853781 /nfs/dbraw/zinc/85/37/81/1102853781.db2.gz RWNQCFFNNUEGEC-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323584 1102915222 /nfs/dbraw/zinc/91/52/22/1102915222.db2.gz SUCVQAULYYBCNF-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088326940 1102931156 /nfs/dbraw/zinc/93/11/56/1102931156.db2.gz BDKGKYJNGMXKPH-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327669 1102934261 /nfs/dbraw/zinc/93/42/61/1102934261.db2.gz TYQSQKGKUJUCEK-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327767 1102936609 /nfs/dbraw/zinc/93/66/09/1102936609.db2.gz WERDEBMIBIYLRX-HNNXBMFYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336348 1102996335 /nfs/dbraw/zinc/99/63/35/1102996335.db2.gz BNRBEAOWLVZWRN-HOTGVXAUSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991066673 1103454818 /nfs/dbraw/zinc/45/48/18/1103454818.db2.gz JQTRDJWOZINXBY-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991066673 1103454823 /nfs/dbraw/zinc/45/48/23/1103454823.db2.gz JQTRDJWOZINXBY-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991066673 1103454829 /nfs/dbraw/zinc/45/48/29/1103454829.db2.gz JQTRDJWOZINXBY-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621471 1105517051 /nfs/dbraw/zinc/51/70/51/1105517051.db2.gz FXFSBCASHNXMCG-OAGGEKHMSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621471 1105517060 /nfs/dbraw/zinc/51/70/60/1105517060.db2.gz FXFSBCASHNXMCG-OAGGEKHMSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621471 1105517066 /nfs/dbraw/zinc/51/70/66/1105517066.db2.gz FXFSBCASHNXMCG-OAGGEKHMSA-N 2 1 327.900 2.581 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621471 1105517074 /nfs/dbraw/zinc/51/70/74/1105517074.db2.gz FXFSBCASHNXMCG-OAGGEKHMSA-N 2 1 327.900 2.581 20 30 EFEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517383 1105864189 /nfs/dbraw/zinc/86/41/89/1105864189.db2.gz BCPVXCZFYOPJFC-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105557057 1105931523 /nfs/dbraw/zinc/93/15/23/1105931523.db2.gz WIXJWFSCYQUCRU-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575201 1105962787 /nfs/dbraw/zinc/96/27/87/1105962787.db2.gz UTPPRRPUZXRDDB-MSOLQXFVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577330 1105966383 /nfs/dbraw/zinc/96/63/83/1105966383.db2.gz UMVPHOHSVUBONJ-SFHVURJKSA-N 2 1 344.503 2.909 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240832 1106461966 /nfs/dbraw/zinc/46/19/66/1106461966.db2.gz JTCQODDCOAVITF-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240832 1106461968 /nfs/dbraw/zinc/46/19/68/1106461968.db2.gz JTCQODDCOAVITF-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106134477 1108561736 /nfs/dbraw/zinc/56/17/36/1108561736.db2.gz XGPWWPMFRGPAEQ-KZNAEPCWSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624728 /nfs/dbraw/zinc/62/47/28/1108624728.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624730 /nfs/dbraw/zinc/62/47/30/1108624730.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624734 /nfs/dbraw/zinc/62/47/34/1108624734.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470270 1108732961 /nfs/dbraw/zinc/73/29/61/1108732961.db2.gz HJNBAXYRTMJSBA-QRFRQXIXSA-N 2 1 344.503 2.765 20 30 EFEDMP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115571748 1108768028 /nfs/dbraw/zinc/76/80/28/1108768028.db2.gz MYHDAPSIEGGLBF-SFHVURJKSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249162 1111220515 /nfs/dbraw/zinc/22/05/15/1111220515.db2.gz BCOYTDFNNRRVJF-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C/CCC)[C@H](C)C1 ZINC001106266456 1111260493 /nfs/dbraw/zinc/26/04/93/1111260493.db2.gz KWKWZTODNGQDHY-DSTKZSRVSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C/CCC)[C@H](C)C1 ZINC001106266456 1111260494 /nfs/dbraw/zinc/26/04/94/1111260494.db2.gz KWKWZTODNGQDHY-DSTKZSRVSA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431307 1111525218 /nfs/dbraw/zinc/52/52/18/1111525218.db2.gz AKYXGXMNPRXFSI-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229209 1111562988 /nfs/dbraw/zinc/56/29/88/1111562988.db2.gz HRIRHULITQGTIT-MSOLQXFVSA-N 2 1 335.536 2.737 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765532 1111811882 /nfs/dbraw/zinc/81/18/82/1111811882.db2.gz GYBULPRCWZSHOS-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869200 1111932878 /nfs/dbraw/zinc/93/28/78/1111932878.db2.gz WFXJWCWVBMTLQE-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310515 1112008787 /nfs/dbraw/zinc/00/87/87/1112008787.db2.gz ONYLFWSKNLTCKA-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310515 1112008795 /nfs/dbraw/zinc/00/87/95/1112008795.db2.gz ONYLFWSKNLTCKA-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310515 1112008800 /nfs/dbraw/zinc/00/88/00/1112008800.db2.gz ONYLFWSKNLTCKA-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310515 1112008805 /nfs/dbraw/zinc/00/88/05/1112008805.db2.gz ONYLFWSKNLTCKA-HOTGVXAUSA-N 2 1 341.927 2.688 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386988 1112052074 /nfs/dbraw/zinc/05/20/74/1112052074.db2.gz WFLIMJPMHYGVTD-SFHVURJKSA-N 2 1 347.547 2.881 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402092 1112072212 /nfs/dbraw/zinc/07/22/12/1112072212.db2.gz BBXQXWGLKYIXOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402092 1112072216 /nfs/dbraw/zinc/07/22/16/1112072216.db2.gz BBXQXWGLKYIXOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402092 1112072220 /nfs/dbraw/zinc/07/22/20/1112072220.db2.gz BBXQXWGLKYIXOU-RTBURBONSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407432 1112080620 /nfs/dbraw/zinc/08/06/20/1112080620.db2.gz ZJDSLHNOMSPQPJ-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089407432 1112080623 /nfs/dbraw/zinc/08/06/23/1112080623.db2.gz ZJDSLHNOMSPQPJ-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089411343 1112087565 /nfs/dbraw/zinc/08/75/65/1112087565.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 1 330.476 2.696 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089411343 1112087570 /nfs/dbraw/zinc/08/75/70/1112087570.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421870 1112102953 /nfs/dbraw/zinc/10/29/53/1112102953.db2.gz YYKFNQSGDXDWEB-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421870 1112102956 /nfs/dbraw/zinc/10/29/56/1112102956.db2.gz YYKFNQSGDXDWEB-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421870 1112102957 /nfs/dbraw/zinc/10/29/57/1112102957.db2.gz YYKFNQSGDXDWEB-HOTGVXAUSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424171 1112110133 /nfs/dbraw/zinc/11/01/33/1112110133.db2.gz SJTYWARXZCFPLO-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089424171 1112110135 /nfs/dbraw/zinc/11/01/35/1112110135.db2.gz SJTYWARXZCFPLO-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445622 1112158011 /nfs/dbraw/zinc/15/80/11/1112158011.db2.gz KPUYANRGJPALRA-ROUUACIJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475946 1112198575 /nfs/dbraw/zinc/19/85/75/1112198575.db2.gz CQMHELQHTFJXRB-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475946 1112198577 /nfs/dbraw/zinc/19/85/77/1112198577.db2.gz CQMHELQHTFJXRB-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475946 1112198579 /nfs/dbraw/zinc/19/85/79/1112198579.db2.gz CQMHELQHTFJXRB-OKZBNKHCSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255941 /nfs/dbraw/zinc/25/59/41/1112255941.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255942 /nfs/dbraw/zinc/25/59/42/1112255942.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255945 /nfs/dbraw/zinc/25/59/45/1112255945.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256008 /nfs/dbraw/zinc/25/60/08/1112256008.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256009 /nfs/dbraw/zinc/25/60/09/1112256009.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256013 /nfs/dbraw/zinc/25/60/13/1112256013.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510308 1112260354 /nfs/dbraw/zinc/26/03/54/1112260354.db2.gz QMWLSTUUEHBBNB-RTBURBONSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089645178 1112439129 /nfs/dbraw/zinc/43/91/29/1112439129.db2.gz QVHZHYPRJQCJBT-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089645178 1112439132 /nfs/dbraw/zinc/43/91/32/1112439132.db2.gz QVHZHYPRJQCJBT-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089645178 1112439137 /nfs/dbraw/zinc/43/91/37/1112439137.db2.gz QVHZHYPRJQCJBT-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001483833161 1112494500 /nfs/dbraw/zinc/49/45/00/1112494500.db2.gz UTUQMHPEERJIEB-GOSISDBHSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001483833161 1112494502 /nfs/dbraw/zinc/49/45/02/1112494502.db2.gz UTUQMHPEERJIEB-GOSISDBHSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001483833161 1112494503 /nfs/dbraw/zinc/49/45/03/1112494503.db2.gz UTUQMHPEERJIEB-GOSISDBHSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001483833161 1112494505 /nfs/dbraw/zinc/49/45/05/1112494505.db2.gz UTUQMHPEERJIEB-GOSISDBHSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650274 1112499707 /nfs/dbraw/zinc/49/97/07/1112499707.db2.gz XXDQRYMUMLFNBV-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650274 1112499709 /nfs/dbraw/zinc/49/97/09/1112499709.db2.gz XXDQRYMUMLFNBV-IRXDYDNUSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(Cl)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659040 1112588790 /nfs/dbraw/zinc/58/87/90/1112588790.db2.gz RFXJQQKZBOVASP-HZPDHXFCSA-N 2 1 341.927 2.830 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663157 1112605125 /nfs/dbraw/zinc/60/51/25/1112605125.db2.gz HWYHHHFJWHLLIZ-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663157 1112605128 /nfs/dbraw/zinc/60/51/28/1112605128.db2.gz HWYHHHFJWHLLIZ-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663656 1112607123 /nfs/dbraw/zinc/60/71/23/1112607123.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663656 1112607125 /nfs/dbraw/zinc/60/71/25/1112607125.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663656 1112607127 /nfs/dbraw/zinc/60/71/27/1112607127.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089704950 1112850185 /nfs/dbraw/zinc/85/01/85/1112850185.db2.gz ADCRTJGMLUZUKF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089704950 1112850189 /nfs/dbraw/zinc/85/01/89/1112850189.db2.gz ADCRTJGMLUZUKF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089704950 1112850194 /nfs/dbraw/zinc/85/01/94/1112850194.db2.gz ADCRTJGMLUZUKF-OALUTQOASA-N 2 1 347.547 2.879 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719298 1112939374 /nfs/dbraw/zinc/93/93/74/1112939374.db2.gz AUXPVOWDYRAETQ-IBGZPJMESA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001484569019 1113027401 /nfs/dbraw/zinc/02/74/01/1113027401.db2.gz PNIQPBYUZKAUFK-BRWVUGGUSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001484753849 1113132796 /nfs/dbraw/zinc/13/27/96/1113132796.db2.gz QZNYITCORQVLBF-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001484753849 1113132797 /nfs/dbraw/zinc/13/27/97/1113132797.db2.gz QZNYITCORQVLBF-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001484753849 1113132799 /nfs/dbraw/zinc/13/27/99/1113132799.db2.gz QZNYITCORQVLBF-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001484753849 1113132800 /nfs/dbraw/zinc/13/28/00/1113132800.db2.gz QZNYITCORQVLBF-MRXNPFEDSA-N 2 1 329.916 2.641 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948449124 1118912944 /nfs/dbraw/zinc/91/29/44/1118912944.db2.gz OBBPLGFPBIYFIN-OALUTQOASA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948449124 1118912946 /nfs/dbraw/zinc/91/29/46/1118912946.db2.gz OBBPLGFPBIYFIN-OALUTQOASA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948449124 1118912949 /nfs/dbraw/zinc/91/29/49/1118912949.db2.gz OBBPLGFPBIYFIN-OALUTQOASA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948449124 1118912951 /nfs/dbraw/zinc/91/29/51/1118912951.db2.gz OBBPLGFPBIYFIN-OALUTQOASA-N 2 1 347.547 2.833 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520920 1118924513 /nfs/dbraw/zinc/92/45/13/1118924513.db2.gz NAVGCVVIFDSRQJ-SJORKVTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520920 1118924516 /nfs/dbraw/zinc/92/45/16/1118924516.db2.gz NAVGCVVIFDSRQJ-SJORKVTESA-N 2 1 344.503 2.555 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942528988 1118929898 /nfs/dbraw/zinc/92/98/98/1118929898.db2.gz CWIYMIIFQVOKLN-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106987232 1119069933 /nfs/dbraw/zinc/06/99/33/1119069933.db2.gz YKPICLVVSZTCSQ-SJLPKXTDSA-N 2 1 334.508 2.846 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943288251 1119400656 /nfs/dbraw/zinc/40/06/56/1119400656.db2.gz LSWIPSFWJGFVCJ-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943288251 1119400659 /nfs/dbraw/zinc/40/06/59/1119400659.db2.gz LSWIPSFWJGFVCJ-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518505 1119532778 /nfs/dbraw/zinc/53/27/78/1119532778.db2.gz SYKQYGHWNDPNLE-KBXCAEBGSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518505 1119532780 /nfs/dbraw/zinc/53/27/80/1119532780.db2.gz SYKQYGHWNDPNLE-KBXCAEBGSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519957 1119534544 /nfs/dbraw/zinc/53/45/44/1119534544.db2.gz ZYGPRUHEUFKFQZ-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074984 1120269988 /nfs/dbraw/zinc/26/99/88/1120269988.db2.gz OCBIOKLAOYTDNH-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074984 1120269991 /nfs/dbraw/zinc/26/99/91/1120269991.db2.gz OCBIOKLAOYTDNH-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180110 1120649015 /nfs/dbraw/zinc/64/90/15/1120649015.db2.gz KOIGVJIHCICAFQ-IEBWSBKVSA-N 2 1 347.547 2.594 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000174264528 529771180 /nfs/dbraw/zinc/77/11/80/529771180.db2.gz UJDBIVQFIKRJMY-FQEVSTJZSA-N 2 1 338.455 2.620 20 30 EFEDMP [NH2+]=C(Nc1ccccc1OC(F)(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262491689 240355542 /nfs/dbraw/zinc/35/55/42/240355542.db2.gz XJXKVGWRRFGDOT-JTQLQIEISA-N 2 1 339.321 2.523 20 30 EFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000191984151 240018043 /nfs/dbraw/zinc/01/80/43/240018043.db2.gz ZCPRYPXKVBRSTM-KDURUIRLSA-N 2 1 326.484 2.859 20 30 EFEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CCOC)CC2)ccc1OC ZINC000237109032 240239600 /nfs/dbraw/zinc/23/96/00/240239600.db2.gz NKLDNIBUJQJKCO-UHFFFAOYSA-N 2 1 348.487 2.851 20 30 EFEDMP C[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261962260 240332493 /nfs/dbraw/zinc/33/24/93/240332493.db2.gz KMZZFMDTEFHZOA-UKRRQHHQSA-N 2 1 334.533 2.673 20 30 EFEDMP C[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261962258 240333618 /nfs/dbraw/zinc/33/36/18/240333618.db2.gz KMZZFMDTEFHZOA-DZGCQCFKSA-N 2 1 334.533 2.673 20 30 EFEDMP C=CC[N@H+](CC1CC[NH2+]CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000262035662 240341495 /nfs/dbraw/zinc/34/14/95/240341495.db2.gz XPWWGUHDFBVWLY-LJQANCHMSA-N 2 1 330.472 2.648 20 30 EFEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000262035662 240341502 /nfs/dbraw/zinc/34/15/02/240341502.db2.gz XPWWGUHDFBVWLY-LJQANCHMSA-N 2 1 330.472 2.648 20 30 EFEDMP CN(CCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N)CC[NH+](C)C ZINC000288572145 241016285 /nfs/dbraw/zinc/01/62/85/241016285.db2.gz ATAGETQLYVWHAT-UHFFFAOYSA-N 2 1 330.520 2.803 20 30 EFEDMP C[C@@H](CCC#N)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298701055 241155028 /nfs/dbraw/zinc/15/50/28/241155028.db2.gz ZXSYFRBKUKLMED-ICSRJNTNSA-N 2 1 326.488 2.571 20 30 EFEDMP C[C@@H](CCC#N)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298701055 241155031 /nfs/dbraw/zinc/15/50/31/241155031.db2.gz ZXSYFRBKUKLMED-ICSRJNTNSA-N 2 1 326.488 2.571 20 30 EFEDMP CCCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000304752681 241198056 /nfs/dbraw/zinc/19/80/56/241198056.db2.gz KLETXFLRGVFTDJ-UHFFFAOYSA-N 2 1 337.537 2.622 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358161389 242114128 /nfs/dbraw/zinc/11/41/28/242114128.db2.gz XKWIXNVRQXFCAE-IAGOWNOFSA-N 2 1 336.524 2.589 20 30 EFEDMP C=CCN(CC=C)[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899734 247209848 /nfs/dbraw/zinc/20/98/48/247209848.db2.gz MCDJUHZNYSDXCL-HXUWFJFHSA-N 2 1 346.519 2.930 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441358391 250024988 /nfs/dbraw/zinc/02/49/88/250024988.db2.gz OKJOXEPGPLUJAU-WOJBJXKFSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441358391 250024992 /nfs/dbraw/zinc/02/49/92/250024992.db2.gz OKJOXEPGPLUJAU-WOJBJXKFSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441358391 250024996 /nfs/dbraw/zinc/02/49/96/250024996.db2.gz OKJOXEPGPLUJAU-WOJBJXKFSA-N 2 1 346.515 2.961 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441358391 250025000 /nfs/dbraw/zinc/02/50/00/250025000.db2.gz OKJOXEPGPLUJAU-WOJBJXKFSA-N 2 1 346.515 2.961 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442709577 250105685 /nfs/dbraw/zinc/10/56/85/250105685.db2.gz OQZIASXRMOSJCO-FXAWDEMLSA-N 2 1 326.488 2.606 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000442727065 250107280 /nfs/dbraw/zinc/10/72/80/250107280.db2.gz VJDUPBVAKLZZRK-SXLOBPIMSA-N 2 1 326.488 2.647 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063509 250155093 /nfs/dbraw/zinc/15/50/93/250155093.db2.gz WSNNATQTDAZIGE-HOTGVXAUSA-N 2 1 335.517 2.712 20 30 EFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496186 251043808 /nfs/dbraw/zinc/04/38/08/251043808.db2.gz IWQWEORTNGGPTO-LJQANCHMSA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496186 251043812 /nfs/dbraw/zinc/04/38/12/251043812.db2.gz IWQWEORTNGGPTO-LJQANCHMSA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496186 251043816 /nfs/dbraw/zinc/04/38/16/251043816.db2.gz IWQWEORTNGGPTO-LJQANCHMSA-N 2 1 348.535 2.583 20 30 EFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000449496186 251043821 /nfs/dbraw/zinc/04/38/21/251043821.db2.gz IWQWEORTNGGPTO-LJQANCHMSA-N 2 1 348.535 2.583 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087936 /nfs/dbraw/zinc/08/79/36/146087936.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 1 346.500 2.612 20 30 EFEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087938 /nfs/dbraw/zinc/08/79/38/146087938.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 1 346.500 2.612 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087939 /nfs/dbraw/zinc/08/79/39/146087939.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 1 346.500 2.612 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087941 /nfs/dbraw/zinc/08/79/41/146087941.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 1 346.500 2.612 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087943 /nfs/dbraw/zinc/08/79/43/146087943.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 1 346.500 2.612 20 30 EFEDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000364653647 149208801 /nfs/dbraw/zinc/20/88/01/149208801.db2.gz RYIUMDRETDKJJA-UHFFFAOYSA-N 2 1 344.478 2.547 20 30 EFEDMP CO[C@]1(C)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460364 286159881 /nfs/dbraw/zinc/15/98/81/286159881.db2.gz ZXLPWAZMOXTLDT-BGYRXZFFSA-N 2 1 336.520 2.772 20 30 EFEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460364 286159882 /nfs/dbraw/zinc/15/98/82/286159882.db2.gz ZXLPWAZMOXTLDT-BGYRXZFFSA-N 2 1 336.520 2.772 20 30 EFEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460364 286159883 /nfs/dbraw/zinc/15/98/83/286159883.db2.gz ZXLPWAZMOXTLDT-BGYRXZFFSA-N 2 1 336.520 2.772 20 30 EFEDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000373257970 151141990 /nfs/dbraw/zinc/14/19/90/151141990.db2.gz WXNIWGIANYHQBR-UHFFFAOYSA-N 2 1 344.478 2.547 20 30 EFEDMP CN(Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276776399 267048434 /nfs/dbraw/zinc/04/84/34/267048434.db2.gz PTAZBMIPEBQUEM-LJQANCHMSA-N 2 1 337.471 2.778 20 30 EFEDMP CN(Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276776399 267048436 /nfs/dbraw/zinc/04/84/36/267048436.db2.gz PTAZBMIPEBQUEM-LJQANCHMSA-N 2 1 337.471 2.778 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000482162125 267059554 /nfs/dbraw/zinc/05/95/54/267059554.db2.gz GUWSJHXQHJKAPF-PKOBYXMFSA-N 2 1 342.487 2.987 20 30 EFEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039923 267103996 /nfs/dbraw/zinc/10/39/96/267103996.db2.gz BRRIJPGHCKLHKY-MRXNPFEDSA-N 2 1 348.878 2.956 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960323 267180033 /nfs/dbraw/zinc/18/00/33/267180033.db2.gz QZUKNOVCHRBMHM-BKTGTZMESA-N 2 1 331.435 2.726 20 30 EFEDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271992080 267181116 /nfs/dbraw/zinc/18/11/16/267181116.db2.gz ZLCSITYPEZXYCI-HNNXBMFYSA-N 2 1 332.467 2.622 20 30 EFEDMP N#Cc1cc(F)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954573 273026606 /nfs/dbraw/zinc/02/66/06/273026606.db2.gz QSNUERDEUWXGEH-UHFFFAOYSA-N 2 1 331.435 2.774 20 30 EFEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075925 274203340 /nfs/dbraw/zinc/20/33/40/274203340.db2.gz YEOKRCOIRVVULF-INIZCTEOSA-N 2 1 340.471 2.693 20 30 EFEDMP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424160142 276301325 /nfs/dbraw/zinc/30/13/25/276301325.db2.gz TUUPYKDMLMGCTQ-BHIYHBOVSA-N 2 1 342.487 2.692 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331866927 276862830 /nfs/dbraw/zinc/86/28/30/276862830.db2.gz GIDJDVQNRGWJDZ-DLBZAZTESA-N 2 1 347.463 2.905 20 30 EFEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000262492727 279240733 /nfs/dbraw/zinc/24/07/33/279240733.db2.gz JNLHHGIGPUAOHK-BFYDXBDKSA-N 2 1 330.476 2.677 20 30 EFEDMP COc1ccccc1[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000261998802 295400789 /nfs/dbraw/zinc/40/07/89/295400789.db2.gz OUCJVJUXMHWWLR-KRWDZBQOSA-N 2 1 332.492 2.701 20 30 EFEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326797 320098625 /nfs/dbraw/zinc/09/86/25/320098625.db2.gz QWXCMSCMQYANJL-SFHVURJKSA-N 2 1 326.488 2.847 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)c1 ZINC000170906662 533715538 /nfs/dbraw/zinc/71/55/38/533715538.db2.gz YYODKDQOEZLNBW-QGZVFWFLSA-N 2 1 339.443 2.654 20 30 EFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571502 473223552 /nfs/dbraw/zinc/22/35/52/473223552.db2.gz MITDOARRCVONEX-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571502 473223557 /nfs/dbraw/zinc/22/35/57/473223557.db2.gz MITDOARRCVONEX-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571502 473223560 /nfs/dbraw/zinc/22/35/60/473223560.db2.gz MITDOARRCVONEX-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP C=CCC[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000185080683 473321490 /nfs/dbraw/zinc/32/14/90/473321490.db2.gz WCPHPWHFJPZARM-KRWDZBQOSA-N 2 1 345.487 2.792 20 30 EFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N[C@@H]1C[C@H]1C ZINC000083880700 473372022 /nfs/dbraw/zinc/37/20/22/473372022.db2.gz PMYOYHDUEQCUBU-MLGOLLRUSA-N 2 1 329.423 2.783 20 30 EFEDMP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527585 478068759 /nfs/dbraw/zinc/06/87/59/478068759.db2.gz JZAWQEKEDNYCBB-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527585 478068765 /nfs/dbraw/zinc/06/87/65/478068765.db2.gz JZAWQEKEDNYCBB-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527585 478068769 /nfs/dbraw/zinc/06/87/69/478068769.db2.gz JZAWQEKEDNYCBB-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527585 478068777 /nfs/dbraw/zinc/06/87/77/478068777.db2.gz JZAWQEKEDNYCBB-UYAOXDASSA-N 2 1 335.536 2.997 20 30 EFEDMP C#Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000077201337 472471577 /nfs/dbraw/zinc/47/15/77/472471577.db2.gz RFXARVIUBZMWOZ-IBGZPJMESA-N 2 1 342.487 2.548 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000130383196 472602596 /nfs/dbraw/zinc/60/25/96/472602596.db2.gz WKRIDDSHYYEWDO-WMZOPIPTSA-N 2 1 343.471 2.568 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000130383638 472602671 /nfs/dbraw/zinc/60/26/71/472602671.db2.gz WKRIDDSHYYEWDO-FUHWJXTLSA-N 2 1 343.471 2.568 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104167988 472659723 /nfs/dbraw/zinc/65/97/23/472659723.db2.gz RHIXUUCJOGBTOC-KGLIPLIRSA-N 2 1 334.464 2.551 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000106244944 472835621 /nfs/dbraw/zinc/83/56/21/472835621.db2.gz REIAKCLKLGMYNE-UHFFFAOYSA-N 2 1 325.460 2.612 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710704 472858323 /nfs/dbraw/zinc/85/83/23/472858323.db2.gz KBSITDKRUCCTOJ-QYZOEREBSA-N 2 1 348.535 2.563 20 30 EFEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780624 472874402 /nfs/dbraw/zinc/87/44/02/472874402.db2.gz LIEUAXYINOHCEN-OAHLLOKOSA-N 2 1 334.895 2.832 20 30 EFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134909885 472987843 /nfs/dbraw/zinc/98/78/43/472987843.db2.gz BBDBYLNSFPTGAI-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134909885 472987849 /nfs/dbraw/zinc/98/78/49/472987849.db2.gz BBDBYLNSFPTGAI-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134909885 472987857 /nfs/dbraw/zinc/98/78/57/472987857.db2.gz BBDBYLNSFPTGAI-XLIONFOSSA-N 2 1 325.456 2.886 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918331 472990431 /nfs/dbraw/zinc/99/04/31/472990431.db2.gz ADUKVGXOMBTXKJ-YQVWRLOYSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918331 472990438 /nfs/dbraw/zinc/99/04/38/472990438.db2.gz ADUKVGXOMBTXKJ-YQVWRLOYSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918331 472990449 /nfs/dbraw/zinc/99/04/49/472990449.db2.gz ADUKVGXOMBTXKJ-YQVWRLOYSA-N 2 1 331.504 2.524 20 30 EFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918331 472990451 /nfs/dbraw/zinc/99/04/51/472990451.db2.gz ADUKVGXOMBTXKJ-YQVWRLOYSA-N 2 1 331.504 2.524 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000160127857 473089940 /nfs/dbraw/zinc/08/99/40/473089940.db2.gz KRECIITYRBXVKZ-BHYGNILZSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000160127857 473089945 /nfs/dbraw/zinc/08/99/45/473089945.db2.gz KRECIITYRBXVKZ-BHYGNILZSA-N 2 1 330.451 2.738 20 30 EFEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000052208486 473095363 /nfs/dbraw/zinc/09/53/63/473095363.db2.gz VWYNCCXOIRYVEF-UHFFFAOYSA-N 2 1 348.535 2.773 20 30 EFEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000052208486 473095364 /nfs/dbraw/zinc/09/53/64/473095364.db2.gz VWYNCCXOIRYVEF-UHFFFAOYSA-N 2 1 348.535 2.773 20 30 EFEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+](C)C1CC1 ZINC000160713621 473166307 /nfs/dbraw/zinc/16/63/07/473166307.db2.gz MDADYSJQZZMRMZ-SNVBAGLBSA-N 2 1 330.354 2.795 20 30 EFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177687784 473418323 /nfs/dbraw/zinc/41/83/23/473418323.db2.gz JOKKDXGBGLEYRM-UHFFFAOYSA-N 2 1 340.496 2.657 20 30 EFEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782200 473512645 /nfs/dbraw/zinc/51/26/45/473512645.db2.gz NWNVBBBTDGFPTC-GHTZIAJQSA-N 2 1 340.515 2.996 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000191481149 473544286 /nfs/dbraw/zinc/54/42/86/473544286.db2.gz ZMQZHYJLBANBRQ-UHFFFAOYSA-N 2 1 345.491 2.500 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000191481149 473544290 /nfs/dbraw/zinc/54/42/90/473544290.db2.gz ZMQZHYJLBANBRQ-UHFFFAOYSA-N 2 1 345.491 2.500 20 30 EFEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000115628396 473588126 /nfs/dbraw/zinc/58/81/26/473588126.db2.gz PGUCODBBIAAXTE-NQIIRXRSSA-N 2 1 344.499 2.925 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000153040573 473605656 /nfs/dbraw/zinc/60/56/56/473605656.db2.gz WJGNCKWYSVBKJM-RXVVDRJESA-N 2 1 342.531 2.922 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000186192758 473612283 /nfs/dbraw/zinc/61/22/83/473612283.db2.gz KJHKJMPFNKDECV-KDURUIRLSA-N 2 1 340.515 2.857 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000186192758 473612286 /nfs/dbraw/zinc/61/22/86/473612286.db2.gz KJHKJMPFNKDECV-KDURUIRLSA-N 2 1 340.515 2.857 20 30 EFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049610 473786074 /nfs/dbraw/zinc/78/60/74/473786074.db2.gz MTRMISXCEUCAMV-INIZCTEOSA-N 2 1 335.455 2.533 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000187014606 473801957 /nfs/dbraw/zinc/80/19/57/473801957.db2.gz FHSLRTLSXFVJIG-XLIONFOSSA-N 2 1 332.463 2.904 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000187014606 473801966 /nfs/dbraw/zinc/80/19/66/473801966.db2.gz FHSLRTLSXFVJIG-XLIONFOSSA-N 2 1 332.463 2.904 20 30 EFEDMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281812572 473845926 /nfs/dbraw/zinc/84/59/26/473845926.db2.gz WDMDYQVLIACQJJ-IYBDPMFKSA-N 2 1 331.460 2.546 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000264086213 473949335 /nfs/dbraw/zinc/94/93/35/473949335.db2.gz JIGREJNCGAPOCJ-QRVBRYPASA-N 2 1 344.503 2.543 20 30 EFEDMP CCCCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264128587 473951532 /nfs/dbraw/zinc/95/15/32/473951532.db2.gz SRANUKYCWUWJSO-UHFFFAOYSA-N 2 1 332.492 2.503 20 30 EFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246896967 473996999 /nfs/dbraw/zinc/99/69/99/473996999.db2.gz RFFWDEBWGZIMSI-HKUYNNGSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246896967 473997007 /nfs/dbraw/zinc/99/70/07/473997007.db2.gz RFFWDEBWGZIMSI-HKUYNNGSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246896967 473997016 /nfs/dbraw/zinc/99/70/16/473997016.db2.gz RFFWDEBWGZIMSI-HKUYNNGSSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246896967 473997024 /nfs/dbraw/zinc/99/70/24/473997024.db2.gz RFFWDEBWGZIMSI-HKUYNNGSSA-N 2 1 325.456 2.886 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181309444 474026039 /nfs/dbraw/zinc/02/60/39/474026039.db2.gz WQCBIFZJOIBFOQ-QGZVFWFLSA-N 2 1 329.488 2.664 20 30 EFEDMP C[N@H+](CCCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290656 474046363 /nfs/dbraw/zinc/04/63/63/474046363.db2.gz ZGTLJKXCKHMYLE-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[N@@H+](CCCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290656 474046368 /nfs/dbraw/zinc/04/63/68/474046368.db2.gz ZGTLJKXCKHMYLE-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CCCC(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188290656 474046372 /nfs/dbraw/zinc/04/63/72/474046372.db2.gz ZGTLJKXCKHMYLE-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C[NH+](CCCC(C)(C)C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188290656 474046381 /nfs/dbraw/zinc/04/63/81/474046381.db2.gz ZGTLJKXCKHMYLE-HXUWFJFHSA-N 2 1 329.488 2.885 20 30 EFEDMP C=CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000275257645 474121240 /nfs/dbraw/zinc/12/12/40/474121240.db2.gz HYOAQPCVIWDMHI-HXUWFJFHSA-N 2 1 343.515 2.831 20 30 EFEDMP C=CC[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257645 474121249 /nfs/dbraw/zinc/12/12/49/474121249.db2.gz HYOAQPCVIWDMHI-HXUWFJFHSA-N 2 1 343.515 2.831 20 30 EFEDMP C#CCCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289484249 474289520 /nfs/dbraw/zinc/28/95/20/474289520.db2.gz QXGNSLOAFOSXJV-UHFFFAOYSA-N 2 1 343.515 2.547 20 30 EFEDMP C=CCOc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289657537 474365413 /nfs/dbraw/zinc/36/54/13/474365413.db2.gz COVUUULASKJEIB-UHFFFAOYSA-N 2 1 331.504 2.709 20 30 EFEDMP C=CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000271482310 474566510 /nfs/dbraw/zinc/56/65/10/474566510.db2.gz SSDACZJCWWHMOQ-UHFFFAOYSA-N 2 1 327.472 2.549 20 30 EFEDMP C=CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000271482310 474566517 /nfs/dbraw/zinc/56/65/17/474566517.db2.gz SSDACZJCWWHMOQ-UHFFFAOYSA-N 2 1 327.472 2.549 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000271509006 474575479 /nfs/dbraw/zinc/57/54/79/474575479.db2.gz RZELUMSTVBXUGZ-XLIONFOSSA-N 2 1 345.487 2.816 20 30 EFEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277706619 474593530 /nfs/dbraw/zinc/59/35/30/474593530.db2.gz IIFLBMWISARZMZ-QGZVFWFLSA-N 2 1 348.487 2.851 20 30 EFEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271877020 474596919 /nfs/dbraw/zinc/59/69/19/474596919.db2.gz ZPWCDMLYQOSMAO-UHFFFAOYSA-N 2 1 335.455 2.815 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000609133423 480116496 /nfs/dbraw/zinc/11/64/96/480116496.db2.gz BLVWRQPRPQDFOZ-UHFFFAOYSA-N 2 1 348.535 2.723 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133467 480117012 /nfs/dbraw/zinc/11/70/12/480117012.db2.gz KYAVSDXJEQQUPB-QGZVFWFLSA-N 2 1 348.535 2.770 20 30 EFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478476 474656332 /nfs/dbraw/zinc/65/63/32/474656332.db2.gz KJNHDUTWLHBTLS-IAGOWNOFSA-N 2 1 331.460 2.740 20 30 EFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478478 474656365 /nfs/dbraw/zinc/65/63/65/474656365.db2.gz KJNHDUTWLHBTLS-SJORKVTESA-N 2 1 331.460 2.740 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387492 474666453 /nfs/dbraw/zinc/66/64/53/474666453.db2.gz CEMBEOLALGPEMU-KRWDZBQOSA-N 2 1 341.459 2.539 20 30 EFEDMP C[N@H+]1CC[C@@]2(CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857816 474678942 /nfs/dbraw/zinc/67/89/42/474678942.db2.gz UZBBNULVKJSODI-OAQYLSRUSA-N 2 1 349.482 2.991 20 30 EFEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857816 474678952 /nfs/dbraw/zinc/67/89/52/474678952.db2.gz UZBBNULVKJSODI-OAQYLSRUSA-N 2 1 349.482 2.991 20 30 EFEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857816 474678961 /nfs/dbraw/zinc/67/89/61/474678961.db2.gz UZBBNULVKJSODI-OAQYLSRUSA-N 2 1 349.482 2.991 20 30 EFEDMP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000337162859 474749611 /nfs/dbraw/zinc/74/96/11/474749611.db2.gz WDRVHSBYGDMERE-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP CC[NH+](CC)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278719570 474796098 /nfs/dbraw/zinc/79/60/98/474796098.db2.gz SPWQDQRYTQAMGF-UHFFFAOYSA-N 2 1 340.475 2.680 20 30 EFEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000285000224 474858543 /nfs/dbraw/zinc/85/85/43/474858543.db2.gz HWUVXGKIPLBHCY-OALUTQOASA-N 2 1 338.455 2.875 20 30 EFEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000285000224 474858550 /nfs/dbraw/zinc/85/85/50/474858550.db2.gz HWUVXGKIPLBHCY-OALUTQOASA-N 2 1 338.455 2.875 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000347326916 475232967 /nfs/dbraw/zinc/23/29/67/475232967.db2.gz XKYWBRMJUFHXLM-AYBZRNKSSA-N 2 1 344.478 2.986 20 30 EFEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372007 /nfs/dbraw/zinc/37/20/07/475372007.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372013 /nfs/dbraw/zinc/37/20/13/475372013.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372021 /nfs/dbraw/zinc/37/20/21/475372021.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372024 /nfs/dbraw/zinc/37/20/24/475372024.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342110333 475557514 /nfs/dbraw/zinc/55/75/14/475557514.db2.gz SAPHURYFINHFJX-UOVPBQLFSA-N 2 1 347.528 2.710 20 30 EFEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000347011906 476032213 /nfs/dbraw/zinc/03/22/13/476032213.db2.gz MZRGNKXHPMLOAI-UHFFFAOYSA-N 2 1 348.535 2.629 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159497 476074454 /nfs/dbraw/zinc/07/44/54/476074454.db2.gz MOTFYBWEBOFLFR-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159497 476074462 /nfs/dbraw/zinc/07/44/62/476074462.db2.gz MOTFYBWEBOFLFR-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159497 476074468 /nfs/dbraw/zinc/07/44/68/476074468.db2.gz MOTFYBWEBOFLFR-SFHVURJKSA-N 2 1 340.471 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344552 476144527 /nfs/dbraw/zinc/14/45/27/476144527.db2.gz ZUOLCBXMDTUKAD-QGZVFWFLSA-N 2 1 337.471 2.780 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(CC#N)cc1 ZINC000344116926 476161059 /nfs/dbraw/zinc/16/10/59/476161059.db2.gz BBMXBRQRUIOCMI-UHFFFAOYSA-N 2 1 328.504 2.602 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000369581470 476426938 /nfs/dbraw/zinc/42/69/38/476426938.db2.gz CKTUSEMUSJQOFS-OALUTQOASA-N 2 1 348.535 2.565 20 30 EFEDMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000447531625 477006660 /nfs/dbraw/zinc/00/66/60/477006660.db2.gz RWUPHUCCTGBMAM-LJQANCHMSA-N 2 1 342.487 2.542 20 30 EFEDMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423389058 477014658 /nfs/dbraw/zinc/01/46/58/477014658.db2.gz NHKISXCEENNJFR-IBGZPJMESA-N 2 1 326.488 2.895 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000371294705 477224090 /nfs/dbraw/zinc/22/40/90/477224090.db2.gz MQJDXRGQQSPFBS-MISYRCLQSA-N 2 1 343.471 2.511 20 30 EFEDMP C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371468557 477338097 /nfs/dbraw/zinc/33/80/97/477338097.db2.gz BCLQFWSWGLPCTM-HMXCVIKNSA-N 2 1 342.483 2.772 20 30 EFEDMP C#CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371468557 477338103 /nfs/dbraw/zinc/33/81/03/477338103.db2.gz BCLQFWSWGLPCTM-HMXCVIKNSA-N 2 1 342.483 2.772 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371471197 477341096 /nfs/dbraw/zinc/34/10/96/477341096.db2.gz RURSJVOIRHRYDZ-RARDXLECSA-N 2 1 343.471 2.661 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371471197 477341100 /nfs/dbraw/zinc/34/11/00/477341100.db2.gz RURSJVOIRHRYDZ-RARDXLECSA-N 2 1 343.471 2.661 20 30 EFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298141 477672097 /nfs/dbraw/zinc/67/20/97/477672097.db2.gz GVBWOMKEVCEHBL-IRXDYDNUSA-N 2 1 340.475 2.601 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890150 /nfs/dbraw/zinc/89/01/50/477890150.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890160 /nfs/dbraw/zinc/89/01/60/477890160.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890167 /nfs/dbraw/zinc/89/01/67/477890167.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000482165941 478026883 /nfs/dbraw/zinc/02/68/83/478026883.db2.gz RYSFPKXQIVHDCN-JENIJYKNSA-N 2 1 336.524 2.531 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429261045 478093352 /nfs/dbraw/zinc/09/33/52/478093352.db2.gz OOIIGKAQLOJYNG-VQIMIIECSA-N 2 1 347.507 2.600 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429261045 478093364 /nfs/dbraw/zinc/09/33/64/478093364.db2.gz OOIIGKAQLOJYNG-VQIMIIECSA-N 2 1 347.507 2.600 20 30 EFEDMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000459794329 478097092 /nfs/dbraw/zinc/09/70/92/478097092.db2.gz UJVXTXYTSHTISN-GOSISDBHSA-N 2 1 326.488 2.849 20 30 EFEDMP CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)C(C)C ZINC000518817318 478193866 /nfs/dbraw/zinc/19/38/66/478193866.db2.gz PXGFRAZTESLYON-UHFFFAOYSA-N 2 1 342.487 2.635 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000580064255 478353400 /nfs/dbraw/zinc/35/34/00/478353400.db2.gz SCFNBQYZAAEZFG-MRXNPFEDSA-N 2 1 338.879 2.628 20 30 EFEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000594438825 478387401 /nfs/dbraw/zinc/38/74/01/478387401.db2.gz PXTLXWVEAGLPLP-MRXNPFEDSA-N 2 1 346.500 2.585 20 30 EFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)s2)c2cccs2)CC1 ZINC000539383828 478413063 /nfs/dbraw/zinc/41/30/63/478413063.db2.gz ZQISNHDWUHCHCF-INIZCTEOSA-N 2 1 346.525 2.760 20 30 EFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539860756 478447342 /nfs/dbraw/zinc/44/73/42/478447342.db2.gz XAUHAPVZPBBHAL-HXUWFJFHSA-N 2 1 343.515 2.852 20 30 EFEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000564856474 478835028 /nfs/dbraw/zinc/83/50/28/478835028.db2.gz LWCFMYDKKQAQME-GOSISDBHSA-N 2 1 326.444 2.694 20 30 EFEDMP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595903 478919185 /nfs/dbraw/zinc/91/91/85/478919185.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595903 478919190 /nfs/dbraw/zinc/91/91/90/478919190.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 2 1 329.488 2.741 20 30 EFEDMP C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595903 478919195 /nfs/dbraw/zinc/91/91/95/478919195.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 2 1 329.488 2.741 20 30 EFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000598718466 478989687 /nfs/dbraw/zinc/98/96/87/478989687.db2.gz BLOBGMTZPVWREA-MOPGFXCFSA-N 2 1 329.488 2.789 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000598718732 478990025 /nfs/dbraw/zinc/99/00/25/478990025.db2.gz CWFXEMZNLDVJQA-JKSUJKDBSA-N 2 1 335.517 2.850 20 30 EFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000598718732 478990029 /nfs/dbraw/zinc/99/00/29/478990029.db2.gz CWFXEMZNLDVJQA-JKSUJKDBSA-N 2 1 335.517 2.850 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000567679952 479111751 /nfs/dbraw/zinc/11/17/51/479111751.db2.gz KICLPHSDIHBONY-IBGZPJMESA-N 2 1 332.488 2.673 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569594470 479145747 /nfs/dbraw/zinc/14/57/47/479145747.db2.gz BULCKLOYOYBVED-QGZVFWFLSA-N 2 1 342.405 2.849 20 30 EFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000603112336 479255740 /nfs/dbraw/zinc/25/57/40/479255740.db2.gz WXHRVBUOUUONSB-UHFFFAOYSA-N 2 1 334.508 2.527 20 30 EFEDMP N#Cc1ccccc1COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000611287840 479338552 /nfs/dbraw/zinc/33/85/52/479338552.db2.gz WJVUCVXDTWNWJS-WOJBJXKFSA-N 2 1 333.435 2.788 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000611337583 479350665 /nfs/dbraw/zinc/35/06/65/479350665.db2.gz OUAAEMDLVOBQGH-VNCIIQTRSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000611337583 479350671 /nfs/dbraw/zinc/35/06/71/479350671.db2.gz OUAAEMDLVOBQGH-VNCIIQTRSA-N 2 1 328.460 2.716 20 30 EFEDMP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1C#N ZINC000611346036 479353951 /nfs/dbraw/zinc/35/39/51/479353951.db2.gz JJTGXSOLPKPJLU-UHFFFAOYSA-N 2 1 337.471 2.826 20 30 EFEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602538388 479387635 /nfs/dbraw/zinc/38/76/35/479387635.db2.gz LHXIVEHUHMQPHE-CTNGQTDRSA-N 2 1 338.499 2.932 20 30 EFEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602538388 479387640 /nfs/dbraw/zinc/38/76/40/479387640.db2.gz LHXIVEHUHMQPHE-CTNGQTDRSA-N 2 1 338.499 2.932 20 30 EFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C#N)n3)CC2)oc1C ZINC000602539925 479389066 /nfs/dbraw/zinc/38/90/66/479389066.db2.gz MWLSCHYGMZBKPV-UHFFFAOYSA-N 2 1 339.443 2.560 20 30 EFEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592005 479413700 /nfs/dbraw/zinc/41/37/00/479413700.db2.gz GHVJVJZOZSNXFI-MOPGFXCFSA-N 2 1 342.487 2.569 20 30 EFEDMP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425256 /nfs/dbraw/zinc/42/52/56/479425256.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425263 /nfs/dbraw/zinc/42/52/63/479425263.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425267 /nfs/dbraw/zinc/42/52/67/479425267.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425566 /nfs/dbraw/zinc/42/55/66/479425566.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425569 /nfs/dbraw/zinc/42/55/69/479425569.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425574 /nfs/dbraw/zinc/42/55/74/479425574.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1cccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000593695291 479426209 /nfs/dbraw/zinc/42/62/09/479426209.db2.gz JQXXUFBCXQZYRE-UHFFFAOYSA-N 2 1 338.499 2.739 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000644532013 480421656 /nfs/dbraw/zinc/42/16/56/480421656.db2.gz QQYJHAPOZKBXSZ-QUCCMNQESA-N 2 1 346.515 2.865 20 30 EFEDMP C=CC[C@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638475273 480743271 /nfs/dbraw/zinc/74/32/71/480743271.db2.gz YGYUZRDUSBRQFJ-SFHVURJKSA-N 2 1 341.499 2.795 20 30 EFEDMP C=CCCn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000653588891 481347769 /nfs/dbraw/zinc/34/77/69/481347769.db2.gz OCRSSHRLNFGUIJ-UHFFFAOYSA-N 2 1 331.508 2.942 20 30 EFEDMP C=CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239016 482386963 /nfs/dbraw/zinc/38/69/63/482386963.db2.gz BUVQQFPSVZIIBH-AZUAARDMSA-N 2 1 332.488 2.800 20 30 EFEDMP C=CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239016 482386966 /nfs/dbraw/zinc/38/69/66/482386966.db2.gz BUVQQFPSVZIIBH-AZUAARDMSA-N 2 1 332.488 2.800 20 30 EFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782692 534412337 /nfs/dbraw/zinc/41/23/37/534412337.db2.gz ORAZMYFPEBHMFY-ZWKOTPCHSA-N 2 1 330.472 2.951 20 30 EFEDMP C=CCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364186815 534647779 /nfs/dbraw/zinc/64/77/79/534647779.db2.gz WBZIKEUZQSHORH-UHFFFAOYSA-N 2 1 335.536 2.997 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171408382 526415070 /nfs/dbraw/zinc/41/50/70/526415070.db2.gz ZQLICIJHLZWPRF-GOSISDBHSA-N 2 1 340.471 2.509 20 30 EFEDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557785 528262702 /nfs/dbraw/zinc/26/27/02/528262702.db2.gz GUPVJUSAYTWZAZ-HXUWFJFHSA-N 2 1 340.515 2.844 20 30 EFEDMP C=CCCn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1 ZINC000657332712 547115175 /nfs/dbraw/zinc/11/51/75/547115175.db2.gz NUDNVMMDHQXNLK-UHFFFAOYSA-N 2 1 327.476 2.984 20 30 EFEDMP C=CCCn1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1 ZINC000657332712 547115178 /nfs/dbraw/zinc/11/51/78/547115178.db2.gz NUDNVMMDHQXNLK-UHFFFAOYSA-N 2 1 327.476 2.984 20 30 EFEDMP C=CCCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389235 547141005 /nfs/dbraw/zinc/14/10/05/547141005.db2.gz TWLSJFOTZSXBSV-PKOBYXMFSA-N 2 1 339.487 2.997 20 30 EFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762480823 576306298 /nfs/dbraw/zinc/30/62/98/576306298.db2.gz CRLPEPUXDHLVMA-DLBZAZTESA-N 2 1 331.460 2.568 20 30 EFEDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500538 577278951 /nfs/dbraw/zinc/27/89/51/577278951.db2.gz PPQWZKJGCSAPIB-UYAOXDASSA-N 2 1 335.455 2.795 20 30 EFEDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500538 577278953 /nfs/dbraw/zinc/27/89/53/577278953.db2.gz PPQWZKJGCSAPIB-UYAOXDASSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500538 577278956 /nfs/dbraw/zinc/27/89/56/577278956.db2.gz PPQWZKJGCSAPIB-UYAOXDASSA-N 2 1 335.455 2.795 20 30 EFEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000768500538 577278958 /nfs/dbraw/zinc/27/89/58/577278958.db2.gz PPQWZKJGCSAPIB-UYAOXDASSA-N 2 1 335.455 2.795 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515472 577369227 /nfs/dbraw/zinc/36/92/27/577369227.db2.gz QYMKHGPUNJKCCZ-FXAWDEMLSA-N 2 1 345.487 2.910 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001752508315 1249750563 /nfs/dbraw/zinc/75/05/63/1249750563.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001752508315 1249750570 /nfs/dbraw/zinc/75/05/70/1249750570.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752508315 1249750578 /nfs/dbraw/zinc/75/05/78/1249750578.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001752828010 1251585470 /nfs/dbraw/zinc/58/54/70/1251585470.db2.gz WWENFZZIHNPPDA-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689118 1252201313 /nfs/dbraw/zinc/20/13/13/1252201313.db2.gz AQZWLDKSDKPDIJ-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690772 1252224235 /nfs/dbraw/zinc/22/42/35/1252224235.db2.gz FCWKCQRBBADVFO-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001089690772 1252224244 /nfs/dbraw/zinc/22/42/44/1252224244.db2.gz FCWKCQRBBADVFO-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725748 1252327480 /nfs/dbraw/zinc/32/74/80/1252327480.db2.gz LEUIQTSGALTQSM-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725748 1252327487 /nfs/dbraw/zinc/32/74/87/1252327487.db2.gz LEUIQTSGALTQSM-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733769 1252327923 /nfs/dbraw/zinc/32/79/23/1252327923.db2.gz BDMFTIBZFCZTPD-SFHVURJKSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC=C)CC1 ZINC001089735903 1252342204 /nfs/dbraw/zinc/34/22/04/1252342204.db2.gz QMQPLNUCPMJTEF-IBGZPJMESA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484350183 1252438813 /nfs/dbraw/zinc/43/88/13/1252438813.db2.gz FPVYJVPOJYKTDF-LSDHHAIUSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001484745768 1252858162 /nfs/dbraw/zinc/85/81/62/1252858162.db2.gz RVOUCGUKRKBLIQ-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001484745768 1252858175 /nfs/dbraw/zinc/85/81/75/1252858175.db2.gz RVOUCGUKRKBLIQ-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001484745768 1252858188 /nfs/dbraw/zinc/85/81/88/1252858188.db2.gz RVOUCGUKRKBLIQ-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001484745768 1252858199 /nfs/dbraw/zinc/85/81/99/1252858199.db2.gz RVOUCGUKRKBLIQ-QGZVFWFLSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574991 1253152638 /nfs/dbraw/zinc/15/26/38/1253152638.db2.gz NNIKBVLCWSLNHR-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574991 1253152643 /nfs/dbraw/zinc/15/26/43/1253152643.db2.gz NNIKBVLCWSLNHR-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574991 1253152658 /nfs/dbraw/zinc/15/26/58/1253152658.db2.gz NNIKBVLCWSLNHR-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895042 1254818989 /nfs/dbraw/zinc/81/89/89/1254818989.db2.gz LQVYDUFWYHVFOO-HOTGVXAUSA-N 2 1 341.927 2.543 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995903119 1254826048 /nfs/dbraw/zinc/82/60/48/1254826048.db2.gz JVCRZVSTAUPJMW-HOTGVXAUSA-N 2 1 341.927 2.828 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412208 1255775333 /nfs/dbraw/zinc/77/53/33/1255775333.db2.gz NPTZKOZKHZSQMZ-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412208 1255775344 /nfs/dbraw/zinc/77/53/44/1255775344.db2.gz NPTZKOZKHZSQMZ-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412208 1255775354 /nfs/dbraw/zinc/77/53/54/1255775354.db2.gz NPTZKOZKHZSQMZ-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436291 1255813526 /nfs/dbraw/zinc/81/35/26/1255813526.db2.gz UGCLZNIGIQQJQJ-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436291 1255813537 /nfs/dbraw/zinc/81/35/37/1255813537.db2.gz UGCLZNIGIQQJQJ-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436291 1255813551 /nfs/dbraw/zinc/81/35/51/1255813551.db2.gz UGCLZNIGIQQJQJ-NLWGTHIKSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442916 1255831099 /nfs/dbraw/zinc/83/10/99/1255831099.db2.gz RJHNHIJFSHSYJO-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442916 1255831116 /nfs/dbraw/zinc/83/11/16/1255831116.db2.gz RJHNHIJFSHSYJO-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442916 1255831127 /nfs/dbraw/zinc/83/11/27/1255831127.db2.gz RJHNHIJFSHSYJO-QWFCFKBJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444601 1255834678 /nfs/dbraw/zinc/83/46/78/1255834678.db2.gz QVSSYCFWAUNOHV-WSTZPKSXSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521112 1256044170 /nfs/dbraw/zinc/04/41/70/1256044170.db2.gz MPAJXWTWSRUSCK-IEBWSBKVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521009 1256044872 /nfs/dbraw/zinc/04/48/72/1256044872.db2.gz GZNMCVQXAQBRNC-IEBWSBKVSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563961 1256130861 /nfs/dbraw/zinc/13/08/61/1256130861.db2.gz CXMIFYIQYKQAGJ-VQIMIIECSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563961 1256130868 /nfs/dbraw/zinc/13/08/68/1256130868.db2.gz CXMIFYIQYKQAGJ-VQIMIIECSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107567770 1256156970 /nfs/dbraw/zinc/15/69/70/1256156970.db2.gz JJNHLXRXKNIEBN-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107567770 1256156972 /nfs/dbraw/zinc/15/69/72/1256156972.db2.gz JJNHLXRXKNIEBN-YLJYHZDGSA-N 2 1 344.503 2.943 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609243 1256288287 /nfs/dbraw/zinc/28/82/87/1256288287.db2.gz KMVMFTLBUCDYKC-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609243 1256288294 /nfs/dbraw/zinc/28/82/94/1256288294.db2.gz KMVMFTLBUCDYKC-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609243 1256288298 /nfs/dbraw/zinc/28/82/98/1256288298.db2.gz KMVMFTLBUCDYKC-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997131711 1257028147 /nfs/dbraw/zinc/02/81/47/1257028147.db2.gz GIJBAHGFXWHMQK-SJLPKXTDSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997190940 1257249655 /nfs/dbraw/zinc/24/96/55/1257249655.db2.gz OFSKLZIMQUJQSP-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997225809 1257269993 /nfs/dbraw/zinc/26/99/93/1257269993.db2.gz UEBOLRVYJDMKNY-CQSZACIVSA-N 2 1 346.862 2.917 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997298465 1257368313 /nfs/dbraw/zinc/36/83/13/1257368313.db2.gz PGCDYKXKEIAIIN-QAPCUYQASA-N 2 1 344.503 2.547 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997298595 1257369033 /nfs/dbraw/zinc/36/90/33/1257369033.db2.gz RHVAKYCYHUFSTM-QAPCUYQASA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032430971 1257433370 /nfs/dbraw/zinc/43/33/70/1257433370.db2.gz LALIEQUIMCXHQO-HOTGVXAUSA-N 2 1 333.501 2.675 20 30 EFEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617610 1258120785 /nfs/dbraw/zinc/12/07/85/1258120785.db2.gz JJLAKRVVJHBEPR-RDJZCZTQSA-N 2 1 330.476 2.553 20 30 EFEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997829558 1258503286 /nfs/dbraw/zinc/50/32/86/1258503286.db2.gz QWKJZHCKTIDRFS-AZUAARDMSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006223 1258935889 /nfs/dbraw/zinc/93/58/89/1258935889.db2.gz JHNIEBVEHWMENG-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998006319 1258936613 /nfs/dbraw/zinc/93/66/13/1258936613.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998006319 1258936616 /nfs/dbraw/zinc/93/66/16/1258936616.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998006319 1258936622 /nfs/dbraw/zinc/93/66/22/1258936622.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 2 1 333.520 2.586 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020329 1258971181 /nfs/dbraw/zinc/97/11/81/1258971181.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020329 1258971184 /nfs/dbraw/zinc/97/11/84/1258971184.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020329 1258971190 /nfs/dbraw/zinc/97/11/90/1258971190.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020314 1258971735 /nfs/dbraw/zinc/97/17/35/1258971735.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020314 1258971739 /nfs/dbraw/zinc/97/17/39/1258971739.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020314 1258971746 /nfs/dbraw/zinc/97/17/46/1258971746.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050911 1259026079 /nfs/dbraw/zinc/02/60/79/1259026079.db2.gz KBUGIBDDVWQJRH-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050911 1259026088 /nfs/dbraw/zinc/02/60/88/1259026088.db2.gz KBUGIBDDVWQJRH-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000998051900 1259034768 /nfs/dbraw/zinc/03/47/68/1259034768.db2.gz NQVDBOOYOHFKHV-QZTJIDSGSA-N 2 1 344.503 2.725 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998064346 1259056909 /nfs/dbraw/zinc/05/69/09/1259056909.db2.gz RQXISLCDJPWMRB-GOSISDBHSA-N 2 1 338.455 2.674 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112307 1259124597 /nfs/dbraw/zinc/12/45/97/1259124597.db2.gz UDSTYYUIJOIODZ-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112307 1259124599 /nfs/dbraw/zinc/12/45/99/1259124599.db2.gz UDSTYYUIJOIODZ-MSOLQXFVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999984219 1261025046 /nfs/dbraw/zinc/02/50/46/1261025046.db2.gz OHTYTUJWHZXZMH-PKOBYXMFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999984215 1261025444 /nfs/dbraw/zinc/02/54/44/1261025444.db2.gz OHTYTUJWHZXZMH-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001032725521 1261080685 /nfs/dbraw/zinc/08/06/85/1261080685.db2.gz OMHUGACUNWIZSS-IRFCIJBXSA-N 2 1 341.499 2.715 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001032725521 1261080694 /nfs/dbraw/zinc/08/06/94/1261080694.db2.gz OMHUGACUNWIZSS-IRFCIJBXSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870462 1261196657 /nfs/dbraw/zinc/19/66/57/1261196657.db2.gz PQDWXAJENHLUQL-OAQYLSRUSA-N 2 1 341.499 2.751 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902718 1261691941 /nfs/dbraw/zinc/69/19/41/1261691941.db2.gz WOTLAQKCNXBPIF-CADBVGFASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001355540 1262131453 /nfs/dbraw/zinc/13/14/53/1262131453.db2.gz YDCDALGLSHEQKJ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001355540 1262131459 /nfs/dbraw/zinc/13/14/59/1262131459.db2.gz YDCDALGLSHEQKJ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001355540 1262131463 /nfs/dbraw/zinc/13/14/63/1262131463.db2.gz YDCDALGLSHEQKJ-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852067 1263368820 /nfs/dbraw/zinc/36/88/20/1263368820.db2.gz RCSBGMVKTPTAST-DJIMGWMZSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383510 1263884784 /nfs/dbraw/zinc/88/47/84/1263884784.db2.gz NROLXTKSSCIZLB-GDBMZVCRSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383510 1263884797 /nfs/dbraw/zinc/88/47/97/1263884797.db2.gz NROLXTKSSCIZLB-GDBMZVCRSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545425 1264013181 /nfs/dbraw/zinc/01/31/81/1264013181.db2.gz JSPNDGSLOWTQEY-UYAOXDASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084604073 1264068481 /nfs/dbraw/zinc/06/84/81/1264068481.db2.gz YUTVBXGZAMTJNZ-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084604073 1264068485 /nfs/dbraw/zinc/06/84/85/1264068485.db2.gz YUTVBXGZAMTJNZ-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084604073 1264068493 /nfs/dbraw/zinc/06/84/93/1264068493.db2.gz YUTVBXGZAMTJNZ-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010706 1264453870 /nfs/dbraw/zinc/45/38/70/1264453870.db2.gz HZNSYMUYSXCEBP-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010706 1264453873 /nfs/dbraw/zinc/45/38/73/1264453873.db2.gz HZNSYMUYSXCEBP-MRXNPFEDSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003016009 1264469022 /nfs/dbraw/zinc/46/90/22/1264469022.db2.gz HRQFANDRTHTMFM-IBGZPJMESA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944252 1264716083 /nfs/dbraw/zinc/71/60/83/1264716083.db2.gz BZCMZWISCGQHDJ-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944252 1264716089 /nfs/dbraw/zinc/71/60/89/1264716089.db2.gz BZCMZWISCGQHDJ-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944252 1264716105 /nfs/dbraw/zinc/71/61/05/1264716105.db2.gz BZCMZWISCGQHDJ-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978189 1264806166 /nfs/dbraw/zinc/80/61/66/1264806166.db2.gz BFRBJAQZBOPPNA-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978189 1264806193 /nfs/dbraw/zinc/80/61/93/1264806193.db2.gz BFRBJAQZBOPPNA-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978189 1264806211 /nfs/dbraw/zinc/80/62/11/1264806211.db2.gz BFRBJAQZBOPPNA-QRVBRYPASA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101536 1265145242 /nfs/dbraw/zinc/14/52/42/1265145242.db2.gz PCYHKXUFQYAKDV-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101536 1265145248 /nfs/dbraw/zinc/14/52/48/1265145248.db2.gz PCYHKXUFQYAKDV-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCN1CC[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039718 1266552435 /nfs/dbraw/zinc/55/24/35/1266552435.db2.gz TZFLKPPJFWXABB-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004438979 1267000670 /nfs/dbraw/zinc/00/06/70/1267000670.db2.gz XTWGSJQBVQHFNC-RBUKOAKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438979 1267000673 /nfs/dbraw/zinc/00/06/73/1267000673.db2.gz XTWGSJQBVQHFNC-RBUKOAKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438979 1267000680 /nfs/dbraw/zinc/00/06/80/1267000680.db2.gz XTWGSJQBVQHFNC-RBUKOAKNSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004445890 1267019796 /nfs/dbraw/zinc/01/97/96/1267019796.db2.gz JJSATOMJPNCZGS-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004445890 1267019811 /nfs/dbraw/zinc/01/98/11/1267019811.db2.gz JJSATOMJPNCZGS-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004445890 1267019825 /nfs/dbraw/zinc/01/98/25/1267019825.db2.gz JJSATOMJPNCZGS-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004453919 1267050577 /nfs/dbraw/zinc/05/05/77/1267050577.db2.gz XUAUZVHXXCDVLI-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004453919 1267050586 /nfs/dbraw/zinc/05/05/86/1267050586.db2.gz XUAUZVHXXCDVLI-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004453919 1267050594 /nfs/dbraw/zinc/05/05/94/1267050594.db2.gz XUAUZVHXXCDVLI-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456321 1267083299 /nfs/dbraw/zinc/08/32/99/1267083299.db2.gz DLUMMOMSMFJEKK-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456731 1267085766 /nfs/dbraw/zinc/08/57/66/1267085766.db2.gz HDUFZNHIXOTYQD-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004456731 1267085772 /nfs/dbraw/zinc/08/57/72/1267085772.db2.gz HDUFZNHIXOTYQD-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004456731 1267085780 /nfs/dbraw/zinc/08/57/80/1267085780.db2.gz HDUFZNHIXOTYQD-VQTJNVASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457970 1267093734 /nfs/dbraw/zinc/09/37/34/1267093734.db2.gz MULUAOZGCMTARM-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004473172 1267120295 /nfs/dbraw/zinc/12/02/95/1267120295.db2.gz LDPCKNPSWLAJSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004473172 1267120297 /nfs/dbraw/zinc/12/02/97/1267120297.db2.gz LDPCKNPSWLAJSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004473172 1267120301 /nfs/dbraw/zinc/12/03/01/1267120301.db2.gz LDPCKNPSWLAJSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621474 1267195230 /nfs/dbraw/zinc/19/52/30/1267195230.db2.gz ZQNLZKSMXLCEOC-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621474 1267195233 /nfs/dbraw/zinc/19/52/33/1267195233.db2.gz ZQNLZKSMXLCEOC-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621474 1267195237 /nfs/dbraw/zinc/19/52/37/1267195237.db2.gz ZQNLZKSMXLCEOC-ZCNNSNEGSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004522489 1267213866 /nfs/dbraw/zinc/21/38/66/1267213866.db2.gz NWAOWGCVOFMRMB-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522489 1267213873 /nfs/dbraw/zinc/21/38/73/1267213873.db2.gz NWAOWGCVOFMRMB-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522489 1267213876 /nfs/dbraw/zinc/21/38/76/1267213876.db2.gz NWAOWGCVOFMRMB-YSIASYRMSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004545618 1267266753 /nfs/dbraw/zinc/26/67/53/1267266753.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004545618 1267266764 /nfs/dbraw/zinc/26/67/64/1267266764.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004545618 1267266767 /nfs/dbraw/zinc/26/67/67/1267266767.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004539545 1267280719 /nfs/dbraw/zinc/28/07/19/1267280719.db2.gz KCTWHRCAWFELPB-RBUKOAKNSA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004567023 1267301528 /nfs/dbraw/zinc/30/15/28/1267301528.db2.gz GOUXLXBELCNZNE-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570384 1267305762 /nfs/dbraw/zinc/30/57/62/1267305762.db2.gz RWSKJOCIALVXTL-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004594617 1267359519 /nfs/dbraw/zinc/35/95/19/1267359519.db2.gz BAZRJNDHJDJARV-GOSISDBHSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001004598275 1267370724 /nfs/dbraw/zinc/37/07/24/1267370724.db2.gz VZXBQIFDBYSXBB-KRWDZBQOSA-N 2 1 344.503 2.966 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619002 1267412680 /nfs/dbraw/zinc/41/26/80/1267412680.db2.gz JBTJXJMBDMFSDQ-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004619010 1267413445 /nfs/dbraw/zinc/41/34/45/1267413445.db2.gz ZEFQKASEAGJYGV-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004620850 1267416804 /nfs/dbraw/zinc/41/68/04/1267416804.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004620850 1267416808 /nfs/dbraw/zinc/41/68/08/1267416808.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004620850 1267416811 /nfs/dbraw/zinc/41/68/11/1267416811.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697492 1267730501 /nfs/dbraw/zinc/73/05/01/1267730501.db2.gz UQWNRPQSEKXJMG-HSALFYBXSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697493 1267730772 /nfs/dbraw/zinc/73/07/72/1267730772.db2.gz UQWNRPQSEKXJMG-ZCNNSNEGSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598102 1267962224 /nfs/dbraw/zinc/96/22/24/1267962224.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598102 1267962227 /nfs/dbraw/zinc/96/22/27/1267962227.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598102 1267962234 /nfs/dbraw/zinc/96/22/34/1267962234.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743380 1267975810 /nfs/dbraw/zinc/97/58/10/1267975810.db2.gz ROLLKWLIGHFJEE-CALCHBBNSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639971 1268095255 /nfs/dbraw/zinc/09/52/55/1268095255.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639971 1268095268 /nfs/dbraw/zinc/09/52/68/1268095268.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639971 1268095282 /nfs/dbraw/zinc/09/52/82/1268095282.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213175 1268221278 /nfs/dbraw/zinc/22/12/78/1268221278.db2.gz HVFPJCWTFCIGNU-KRWDZBQOSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803806 1268740599 /nfs/dbraw/zinc/74/05/99/1268740599.db2.gz WPBCRXHIVWFNFL-QRVBRYPASA-N 2 1 344.503 2.971 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366660 1268948757 /nfs/dbraw/zinc/94/87/57/1268948757.db2.gz YACBTTNCXZWWJR-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366660 1268948769 /nfs/dbraw/zinc/94/87/69/1268948769.db2.gz YACBTTNCXZWWJR-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366660 1268948782 /nfs/dbraw/zinc/94/87/82/1268948782.db2.gz YACBTTNCXZWWJR-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422670 1269127101 /nfs/dbraw/zinc/12/71/01/1269127101.db2.gz KDLBEAQFMKAOMZ-HXUWFJFHSA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033424490 1269130778 /nfs/dbraw/zinc/13/07/78/1269130778.db2.gz ZWLRWQPHYQXXML-LJQANCHMSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006283723 1269784481 /nfs/dbraw/zinc/78/44/81/1269784481.db2.gz KYUFFGVJOBGEFG-WBVHZDCISA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683919 1269791210 /nfs/dbraw/zinc/79/12/10/1269791210.db2.gz JPOKLUYENWKDNK-IBGZPJMESA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106966 1269997231 /nfs/dbraw/zinc/99/72/31/1269997231.db2.gz GAZFDHMUWWDXRM-UXLLHSPISA-N 2 1 339.911 2.630 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835650 1270308263 /nfs/dbraw/zinc/30/82/63/1270308263.db2.gz KHIQXSKNCRGTSY-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835650 1270308270 /nfs/dbraw/zinc/30/82/70/1270308270.db2.gz KHIQXSKNCRGTSY-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835650 1270308276 /nfs/dbraw/zinc/30/82/76/1270308276.db2.gz KHIQXSKNCRGTSY-UYAOXDASSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005392155 1270314408 /nfs/dbraw/zinc/31/44/08/1270314408.db2.gz XQROQDFESBHMBD-UHFFFAOYSA-N 2 1 341.927 2.926 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1 ZINC000946821471 1270478569 /nfs/dbraw/zinc/47/85/69/1270478569.db2.gz OEGLNBKSPXMOIE-BGYRXZFFSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033954207 1270684140 /nfs/dbraw/zinc/68/41/40/1270684140.db2.gz QPNYQAFTKMWTFG-HXUWFJFHSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004747 1270860235 /nfs/dbraw/zinc/86/02/35/1270860235.db2.gz QNDCZIXODLDXDC-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034249605 1271424433 /nfs/dbraw/zinc/42/44/33/1271424433.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249619 1271424465 /nfs/dbraw/zinc/42/44/65/1271424465.db2.gz LZTBIWQXNIZWEN-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249619 1271424469 /nfs/dbraw/zinc/42/44/69/1271424469.db2.gz LZTBIWQXNIZWEN-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249619 1271424474 /nfs/dbraw/zinc/42/44/74/1271424474.db2.gz LZTBIWQXNIZWEN-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251208 1271475683 /nfs/dbraw/zinc/47/56/83/1271475683.db2.gz XEVUHLOPROVHLW-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251208 1271475687 /nfs/dbraw/zinc/47/56/87/1271475687.db2.gz XEVUHLOPROVHLW-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251208 1271475695 /nfs/dbraw/zinc/47/56/95/1271475695.db2.gz XEVUHLOPROVHLW-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251208 1271475708 /nfs/dbraw/zinc/47/57/08/1271475708.db2.gz XEVUHLOPROVHLW-DLBZAZTESA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285160 1271534325 /nfs/dbraw/zinc/53/43/25/1271534325.db2.gz QEPRSFQCOKSNBX-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086455838 1271568725 /nfs/dbraw/zinc/56/87/25/1271568725.db2.gz GBOZXDOJHNHMJK-ZHALLVOQSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366650 1271786964 /nfs/dbraw/zinc/78/69/64/1271786964.db2.gz BZMZLGQBEOUSCP-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034366146 1271787746 /nfs/dbraw/zinc/78/77/46/1271787746.db2.gz XEOCVVIFIFWHLX-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366146 1271787751 /nfs/dbraw/zinc/78/77/51/1271787751.db2.gz XEOCVVIFIFWHLX-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366146 1271787757 /nfs/dbraw/zinc/78/77/57/1271787757.db2.gz XEOCVVIFIFWHLX-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544172 1272259002 /nfs/dbraw/zinc/25/90/02/1272259002.db2.gz GETWCKIHGRMOEA-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421707 1272539061 /nfs/dbraw/zinc/53/90/61/1272539061.db2.gz TTWYHSUYUODDBH-IBGZPJMESA-N 2 1 341.540 2.504 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421707 1272539064 /nfs/dbraw/zinc/53/90/64/1272539064.db2.gz TTWYHSUYUODDBH-IBGZPJMESA-N 2 1 341.540 2.504 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169125928 1272680195 /nfs/dbraw/zinc/68/01/95/1272680195.db2.gz NXIPIUMYHFEOTJ-DMUMMCEESA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125928 1272680206 /nfs/dbraw/zinc/68/02/06/1272680206.db2.gz NXIPIUMYHFEOTJ-DMUMMCEESA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125928 1272680212 /nfs/dbraw/zinc/68/02/12/1272680212.db2.gz NXIPIUMYHFEOTJ-DMUMMCEESA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133001 1272692363 /nfs/dbraw/zinc/69/23/63/1272692363.db2.gz BDMZKVOBGSISLG-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133001 1272692370 /nfs/dbraw/zinc/69/23/70/1272692370.db2.gz BDMZKVOBGSISLG-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133001 1272692379 /nfs/dbraw/zinc/69/23/79/1272692379.db2.gz BDMZKVOBGSISLG-XFKSJGNHSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034712164 1272706370 /nfs/dbraw/zinc/70/63/70/1272706370.db2.gz RYRCILVMDGJMLY-ULQDDVLXSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034732464 1272755449 /nfs/dbraw/zinc/75/54/49/1272755449.db2.gz BIFQKJCVQGVTAJ-GPMSIDNRSA-N 2 1 339.499 2.792 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](CC)CC3)C2)C1 ZINC001169246220 1272768609 /nfs/dbraw/zinc/76/86/09/1272768609.db2.gz PPKKDDHLXMUJAJ-IBGZPJMESA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CC)CC3)C2)C1 ZINC001169246220 1272768616 /nfs/dbraw/zinc/76/86/16/1272768616.db2.gz PPKKDDHLXMUJAJ-IBGZPJMESA-N 2 1 335.492 2.581 20 30 EFEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108715092 1273395278 /nfs/dbraw/zinc/39/52/78/1273395278.db2.gz SKLIZJNYZVTDNO-LNLFQRSKSA-N 2 1 345.531 2.632 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770573 1273459708 /nfs/dbraw/zinc/45/97/08/1273459708.db2.gz SQTJJGJEDVVPSA-KSZLIROESA-N 2 1 344.503 2.942 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764028 1273466909 /nfs/dbraw/zinc/46/69/09/1273466909.db2.gz BSYRQCAKEIADOM-KSZLIROESA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836048 1273545994 /nfs/dbraw/zinc/54/59/94/1273545994.db2.gz KODXLKCVHGWNOZ-ZCNNSNEGSA-N 2 1 341.499 2.664 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836048 1273546002 /nfs/dbraw/zinc/54/60/02/1273546002.db2.gz KODXLKCVHGWNOZ-ZCNNSNEGSA-N 2 1 341.499 2.664 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197412 1273761622 /nfs/dbraw/zinc/76/16/22/1273761622.db2.gz MNMZYVAJDPSZIY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197412 1273761627 /nfs/dbraw/zinc/76/16/27/1273761627.db2.gz MNMZYVAJDPSZIY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197412 1273761633 /nfs/dbraw/zinc/76/16/33/1273761633.db2.gz MNMZYVAJDPSZIY-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197134 1273762809 /nfs/dbraw/zinc/76/28/09/1273762809.db2.gz ISVLIWBBSSBXFJ-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197134 1273762814 /nfs/dbraw/zinc/76/28/14/1273762814.db2.gz ISVLIWBBSSBXFJ-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197134 1273762820 /nfs/dbraw/zinc/76/28/20/1273762820.db2.gz ISVLIWBBSSBXFJ-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193645 1273815497 /nfs/dbraw/zinc/81/54/97/1273815497.db2.gz KEMKLPLUFWGGTK-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193646 1273815800 /nfs/dbraw/zinc/81/58/00/1273815800.db2.gz KEMKLPLUFWGGTK-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194716 1273817792 /nfs/dbraw/zinc/81/77/92/1273817792.db2.gz ZLQZOVNYUDNVOV-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194716 1273817799 /nfs/dbraw/zinc/81/77/99/1273817799.db2.gz ZLQZOVNYUDNVOV-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035227072 1273846152 /nfs/dbraw/zinc/84/61/52/1273846152.db2.gz NMYNELBQXPZJDG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227072 1273846159 /nfs/dbraw/zinc/84/61/59/1273846159.db2.gz NMYNELBQXPZJDG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227072 1273846166 /nfs/dbraw/zinc/84/61/66/1273846166.db2.gz NMYNELBQXPZJDG-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035226990 1273847960 /nfs/dbraw/zinc/84/79/60/1273847960.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226990 1273847967 /nfs/dbraw/zinc/84/79/67/1273847967.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226990 1273847974 /nfs/dbraw/zinc/84/79/74/1273847974.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213186 1273868859 /nfs/dbraw/zinc/86/88/59/1273868859.db2.gz RIGMUIVAWBDBSS-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215608 1273874375 /nfs/dbraw/zinc/87/43/75/1273874375.db2.gz JHZVPVCLLMNKTM-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215608 1273874380 /nfs/dbraw/zinc/87/43/80/1273874380.db2.gz JHZVPVCLLMNKTM-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215608 1273874386 /nfs/dbraw/zinc/87/43/86/1273874386.db2.gz JHZVPVCLLMNKTM-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244512 1273915754 /nfs/dbraw/zinc/91/57/54/1273915754.db2.gz PTVLCSBKBWCTBS-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248648 1273927782 /nfs/dbraw/zinc/92/77/82/1273927782.db2.gz FGHBLISONJRLPJ-UHFFFAOYSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249309 1273929594 /nfs/dbraw/zinc/92/95/94/1273929594.db2.gz PVZLAFTZRBXMPI-UHFFFAOYSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248876 1273930723 /nfs/dbraw/zinc/93/07/23/1273930723.db2.gz LDGCTPCHLCUFTM-UHFFFAOYSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260153 1273955420 /nfs/dbraw/zinc/95/54/20/1273955420.db2.gz PRSNSGUEXWJEMU-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260022 1273955912 /nfs/dbraw/zinc/95/59/12/1273955912.db2.gz NJFBEVVDNUPYQM-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109433305 1274269926 /nfs/dbraw/zinc/26/99/26/1274269926.db2.gz INYQYIPRPGUPDA-VSZNYVQBSA-N 2 1 330.476 2.768 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709489 1274389818 /nfs/dbraw/zinc/38/98/18/1274389818.db2.gz XGMZPVIRXSOJLA-INIZCTEOSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109562807 1274428455 /nfs/dbraw/zinc/42/84/55/1274428455.db2.gz BOBASXGOXMVJDF-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109562807 1274428461 /nfs/dbraw/zinc/42/84/61/1274428461.db2.gz BOBASXGOXMVJDF-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109562807 1274428465 /nfs/dbraw/zinc/42/84/65/1274428465.db2.gz BOBASXGOXMVJDF-QYZOEREBSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035773036 1274498078 /nfs/dbraw/zinc/49/80/78/1274498078.db2.gz ONMROUUCBCACFD-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814985 1274548420 /nfs/dbraw/zinc/54/84/20/1274548420.db2.gz XCAVTEXRQGYIOY-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035815129 1274548901 /nfs/dbraw/zinc/54/89/01/1274548901.db2.gz YPWGGSUZMSCEQT-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798479 1274645478 /nfs/dbraw/zinc/64/54/78/1274645478.db2.gz HWZGKSQUQDNZJV-NQYYFHDYSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1C(C)C)C2 ZINC001109800877 1274657745 /nfs/dbraw/zinc/65/77/45/1274657745.db2.gz XCKCTBLCFIZEPM-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800877 1274657756 /nfs/dbraw/zinc/65/77/56/1274657756.db2.gz XCKCTBLCFIZEPM-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800877 1274657770 /nfs/dbraw/zinc/65/77/70/1274657770.db2.gz XCKCTBLCFIZEPM-IKGGRYGDSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171118199 1278899755 /nfs/dbraw/zinc/89/97/55/1278899755.db2.gz DIAFUJDDAMIZIG-HZPDHXFCSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967964 1274921508 /nfs/dbraw/zinc/92/15/08/1274921508.db2.gz UFMNRBOIOMNGLF-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967964 1274921519 /nfs/dbraw/zinc/92/15/19/1274921519.db2.gz UFMNRBOIOMNGLF-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967964 1274921524 /nfs/dbraw/zinc/92/15/24/1274921524.db2.gz UFMNRBOIOMNGLF-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967964 1274921529 /nfs/dbraw/zinc/92/15/29/1274921529.db2.gz UFMNRBOIOMNGLF-FYQPLNBISA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984772 1274946929 /nfs/dbraw/zinc/94/69/29/1274946929.db2.gz MDUUTXGVWCORPT-RRIFGTCXSA-N 2 1 342.487 2.837 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984772 1274946935 /nfs/dbraw/zinc/94/69/35/1274946935.db2.gz MDUUTXGVWCORPT-RRIFGTCXSA-N 2 1 342.487 2.837 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666877 1275738612 /nfs/dbraw/zinc/73/86/12/1275738612.db2.gz BGLGHYGBWIFAJE-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666877 1275738617 /nfs/dbraw/zinc/73/86/17/1275738617.db2.gz BGLGHYGBWIFAJE-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666877 1275738621 /nfs/dbraw/zinc/73/86/21/1275738621.db2.gz BGLGHYGBWIFAJE-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855128 1276111005 /nfs/dbraw/zinc/11/10/05/1276111005.db2.gz LJMIREVJXATSBT-RTBURBONSA-N 2 1 335.536 2.975 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996037 1276287130 /nfs/dbraw/zinc/28/71/30/1276287130.db2.gz PRSFSPIXMJSYPQ-SJORKVTESA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877708 1276308586 /nfs/dbraw/zinc/30/85/86/1276308586.db2.gz FUNSBESLGZWOPL-DLBZAZTESA-N 2 1 332.492 2.685 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878315 1276332047 /nfs/dbraw/zinc/33/20/47/1276332047.db2.gz NHVPWSZIOSTTDX-IRXDYDNUSA-N 2 1 332.492 2.685 20 30 EFEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929143 1287235761 /nfs/dbraw/zinc/23/57/61/1287235761.db2.gz ODNQFJOTRKDURM-RDJZCZTQSA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929004 1287233810 /nfs/dbraw/zinc/23/38/10/1287233810.db2.gz NZODDUFYKQKSPI-FUHWJXTLSA-N 2 1 346.519 2.985 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946856824 1276747683 /nfs/dbraw/zinc/74/76/83/1276747683.db2.gz PTIBJFGYMJKJND-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856824 1276747688 /nfs/dbraw/zinc/74/76/88/1276747688.db2.gz PTIBJFGYMJKJND-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856824 1276747697 /nfs/dbraw/zinc/74/76/97/1276747697.db2.gz PTIBJFGYMJKJND-HSALFYBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859168 1276786198 /nfs/dbraw/zinc/78/61/98/1276786198.db2.gz MAOJQSTXZBIZFY-YSTOQKLRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113247841 1277372656 /nfs/dbraw/zinc/37/26/56/1277372656.db2.gz IKVQDNWVTQCSNL-LJQANCHMSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252316 1277405180 /nfs/dbraw/zinc/40/51/80/1277405180.db2.gz INIPPCAJRZVAGT-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113399103 1277755547 /nfs/dbraw/zinc/75/55/47/1277755547.db2.gz QPDNXGYPYTZJQY-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273669 1287369712 /nfs/dbraw/zinc/36/97/12/1287369712.db2.gz SVOCNTRPZPBYBS-FUHWJXTLSA-N 2 1 346.519 2.985 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175273848 1287369813 /nfs/dbraw/zinc/36/98/13/1287369813.db2.gz XTJPPAXJEIPJOK-OAHLLOKOSA-N 2 1 331.932 2.981 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273670 1287369980 /nfs/dbraw/zinc/36/99/80/1287369980.db2.gz SVOCNTRPZPBYBS-SJLPKXTDSA-N 2 1 346.519 2.985 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001171194204 1279740662 /nfs/dbraw/zinc/74/06/62/1279740662.db2.gz HMWNCZRWCJKWKQ-OXQOHEQNSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001171194204 1279740666 /nfs/dbraw/zinc/74/06/66/1279740666.db2.gz HMWNCZRWCJKWKQ-OXQOHEQNSA-N 2 1 327.472 2.580 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001171195780 1279752344 /nfs/dbraw/zinc/75/23/44/1279752344.db2.gz UKWNMVLKYWAOPA-INIZCTEOSA-N 3 1 330.520 2.965 20 30 EFEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295161 1287376481 /nfs/dbraw/zinc/37/64/81/1287376481.db2.gz CZDHZVJQQDDTJY-GOSISDBHSA-N 2 1 331.504 2.612 20 30 EFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001171216807 1280068148 /nfs/dbraw/zinc/06/81/48/1280068148.db2.gz LUWHAUJCJWKMIZ-HNNXBMFYSA-N 2 1 326.444 2.619 20 30 EFEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199246 1280084571 /nfs/dbraw/zinc/08/45/71/1280084571.db2.gz GBOZXDOJHNHMJK-TVPLGVNVSA-N 2 1 333.520 2.844 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001114285732 1280120994 /nfs/dbraw/zinc/12/09/94/1280120994.db2.gz SJESVKQYTPPIQP-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001114285732 1280121000 /nfs/dbraw/zinc/12/10/00/1280121000.db2.gz SJESVKQYTPPIQP-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001114285732 1280121008 /nfs/dbraw/zinc/12/10/08/1280121008.db2.gz SJESVKQYTPPIQP-IJXRJRJASA-N 2 1 345.531 2.654 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001129791183 1280341061 /nfs/dbraw/zinc/34/10/61/1280341061.db2.gz WUEUKBHMEDLEFX-UWJYYQICSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001129791183 1280341072 /nfs/dbraw/zinc/34/10/72/1280341072.db2.gz WUEUKBHMEDLEFX-UWJYYQICSA-N 2 1 349.478 2.704 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001129771322 1280343026 /nfs/dbraw/zinc/34/30/26/1280343026.db2.gz VVGFVIFMGFSUAT-PXNSSMCTSA-N 2 1 341.499 2.674 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001129771322 1280343037 /nfs/dbraw/zinc/34/30/37/1280343037.db2.gz VVGFVIFMGFSUAT-PXNSSMCTSA-N 2 1 341.499 2.674 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171246860 1280431012 /nfs/dbraw/zinc/43/10/12/1280431012.db2.gz HDBJITVHTHOIMU-DLBZAZTESA-N 2 1 332.492 2.991 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248317 1280440363 /nfs/dbraw/zinc/44/03/63/1280440363.db2.gz SHGATIPPONUNKD-CABCVRRESA-N 2 1 338.883 2.778 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248984 1280447812 /nfs/dbraw/zinc/44/78/12/1280447812.db2.gz ZRWZQIXDWJRCFW-PKOBYXMFSA-N 2 1 333.520 2.681 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248982 1280448286 /nfs/dbraw/zinc/44/82/86/1280448286.db2.gz ZRWZQIXDWJRCFW-IEBWSBKVSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707639 1281005896 /nfs/dbraw/zinc/00/58/96/1281005896.db2.gz VRCXPAOGRZORHK-HOTGVXAUSA-N 2 1 337.895 2.744 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707639 1281005906 /nfs/dbraw/zinc/00/59/06/1281005906.db2.gz VRCXPAOGRZORHK-HOTGVXAUSA-N 2 1 337.895 2.744 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171308792 1281194244 /nfs/dbraw/zinc/19/42/44/1281194244.db2.gz WJLJZWCYAHYVQA-QUCCMNQESA-N 2 1 345.531 2.849 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171308792 1281194247 /nfs/dbraw/zinc/19/42/47/1281194247.db2.gz WJLJZWCYAHYVQA-QUCCMNQESA-N 2 1 345.531 2.849 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725692 1281248640 /nfs/dbraw/zinc/24/86/40/1281248640.db2.gz YCOPBKMYBMIPJH-IAGOWNOFSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725692 1281248649 /nfs/dbraw/zinc/24/86/49/1281248649.db2.gz YCOPBKMYBMIPJH-IAGOWNOFSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742891 1281261405 /nfs/dbraw/zinc/26/14/05/1281261405.db2.gz SIWDKEYPHDLIFO-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742891 1281261416 /nfs/dbraw/zinc/26/14/16/1281261416.db2.gz SIWDKEYPHDLIFO-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147742891 1281261427 /nfs/dbraw/zinc/26/14/27/1281261427.db2.gz SIWDKEYPHDLIFO-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147842252 1281316836 /nfs/dbraw/zinc/31/68/36/1281316836.db2.gz ZDCBDYLLCUMRRN-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842252 1281316842 /nfs/dbraw/zinc/31/68/42/1281316842.db2.gz ZDCBDYLLCUMRRN-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147842252 1281316848 /nfs/dbraw/zinc/31/68/48/1281316848.db2.gz ZDCBDYLLCUMRRN-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020994 1287489317 /nfs/dbraw/zinc/48/93/17/1287489317.db2.gz KVRWXRIGQJBTRQ-CVEARBPZSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965398 1281364524 /nfs/dbraw/zinc/36/45/24/1281364524.db2.gz GXBKOAYGICXTIN-HKUYNNGSSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965403 1281365470 /nfs/dbraw/zinc/36/54/70/1281365470.db2.gz GXBKOAYGICXTIN-IEBWSBKVSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684331 1281442003 /nfs/dbraw/zinc/44/20/03/1281442003.db2.gz BTSCQVGPGMUTCB-QKLQHJQFSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684331 1281442006 /nfs/dbraw/zinc/44/20/06/1281442006.db2.gz BTSCQVGPGMUTCB-QKLQHJQFSA-N 2 1 344.503 2.753 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495365 /nfs/dbraw/zinc/49/53/65/1281495365.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495373 /nfs/dbraw/zinc/49/53/73/1281495373.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495376 /nfs/dbraw/zinc/49/53/76/1281495376.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 2 1 335.536 2.833 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148457925 1281557050 /nfs/dbraw/zinc/55/70/50/1281557050.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148457925 1281557059 /nfs/dbraw/zinc/55/70/59/1281557059.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148457925 1281557068 /nfs/dbraw/zinc/55/70/68/1281557068.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605746 1281648925 /nfs/dbraw/zinc/64/89/25/1281648925.db2.gz TZTTYPBGXNTMCN-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148612243 1281652823 /nfs/dbraw/zinc/65/28/23/1281652823.db2.gz XUMQLXZVLKIREC-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148612243 1281652828 /nfs/dbraw/zinc/65/28/28/1281652828.db2.gz XUMQLXZVLKIREC-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148612243 1281652836 /nfs/dbraw/zinc/65/28/36/1281652836.db2.gz XUMQLXZVLKIREC-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148591719 1281665441 /nfs/dbraw/zinc/66/54/41/1281665441.db2.gz WACXQAKJMGLMQM-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737113 1281680474 /nfs/dbraw/zinc/68/04/74/1281680474.db2.gz IXLRLRKDJLJNHX-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737113 1281680483 /nfs/dbraw/zinc/68/04/83/1281680483.db2.gz IXLRLRKDJLJNHX-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737113 1281680491 /nfs/dbraw/zinc/68/04/91/1281680491.db2.gz IXLRLRKDJLJNHX-DYXWJJEUSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737115 1281681380 /nfs/dbraw/zinc/68/13/80/1281681380.db2.gz IXLRLRKDJLJNHX-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737115 1281681387 /nfs/dbraw/zinc/68/13/87/1281681387.db2.gz IXLRLRKDJLJNHX-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737115 1281681398 /nfs/dbraw/zinc/68/13/98/1281681398.db2.gz IXLRLRKDJLJNHX-SBHAEUEKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148834228 1281759540 /nfs/dbraw/zinc/75/95/40/1281759540.db2.gz YSZCIPDCQPXXJS-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148834228 1281759547 /nfs/dbraw/zinc/75/95/47/1281759547.db2.gz YSZCIPDCQPXXJS-LJQANCHMSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838580 1281779421 /nfs/dbraw/zinc/77/94/21/1281779421.db2.gz AVCWKSUXJFUYQM-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839249 1281779698 /nfs/dbraw/zinc/77/96/98/1281779698.db2.gz ODWPWDHDZCGQAS-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754229 1281798796 /nfs/dbraw/zinc/79/87/96/1281798796.db2.gz KCRZEIDYJVFSTQ-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754229 1281798798 /nfs/dbraw/zinc/79/87/98/1281798798.db2.gz KCRZEIDYJVFSTQ-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754229 1281798807 /nfs/dbraw/zinc/79/88/07/1281798807.db2.gz KCRZEIDYJVFSTQ-HBFSDRIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924301 1281938733 /nfs/dbraw/zinc/93/87/33/1281938733.db2.gz OUCTYDNRRDGCHS-KZNAEPCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939624 1281967033 /nfs/dbraw/zinc/96/70/33/1281967033.db2.gz VYLYISFFCJDCEA-OTWHNJEPSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942106 1281972598 /nfs/dbraw/zinc/97/25/98/1281972598.db2.gz JBDXLBAVVYKYJG-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943735 1282271927 /nfs/dbraw/zinc/27/19/27/1282271927.db2.gz FARHZLQMLLYLDG-ZVDOUQERSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943735 1282271936 /nfs/dbraw/zinc/27/19/36/1282271936.db2.gz FARHZLQMLLYLDG-ZVDOUQERSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943735 1282271943 /nfs/dbraw/zinc/27/19/43/1282271943.db2.gz FARHZLQMLLYLDG-ZVDOUQERSA-N 2 1 347.547 2.855 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000809558366 1282306617 /nfs/dbraw/zinc/30/66/17/1282306617.db2.gz NJXKUMCDWPCMRC-KDURUIRLSA-N 2 1 325.500 2.658 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000809558366 1282306627 /nfs/dbraw/zinc/30/66/27/1282306627.db2.gz NJXKUMCDWPCMRC-KDURUIRLSA-N 2 1 325.500 2.658 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367024 /nfs/dbraw/zinc/36/70/24/1282367024.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367035 /nfs/dbraw/zinc/36/70/35/1282367035.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367045 /nfs/dbraw/zinc/36/70/45/1282367045.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158474481 1282437945 /nfs/dbraw/zinc/43/79/45/1282437945.db2.gz ZZKDBNWNEFSFMK-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158474481 1282437949 /nfs/dbraw/zinc/43/79/49/1282437949.db2.gz ZZKDBNWNEFSFMK-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474481 1282437955 /nfs/dbraw/zinc/43/79/55/1282437955.db2.gz ZZKDBNWNEFSFMK-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474481 1282437958 /nfs/dbraw/zinc/43/79/58/1282437958.db2.gz ZZKDBNWNEFSFMK-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480456 1282478468 /nfs/dbraw/zinc/47/84/68/1282478468.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480456 1282478475 /nfs/dbraw/zinc/47/84/75/1282478475.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480456 1282478484 /nfs/dbraw/zinc/47/84/84/1282478484.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608101 1282844598 /nfs/dbraw/zinc/84/45/98/1282844598.db2.gz ILNOOSKWJCIXPK-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608101 1282844606 /nfs/dbraw/zinc/84/46/06/1282844606.db2.gz ILNOOSKWJCIXPK-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608101 1282844616 /nfs/dbraw/zinc/84/46/16/1282844616.db2.gz ILNOOSKWJCIXPK-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092756915 1283007028 /nfs/dbraw/zinc/00/70/28/1283007028.db2.gz LUCGFWUAWMLJKA-GDBMZVCRSA-N 2 1 326.444 2.517 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129097 1283013700 /nfs/dbraw/zinc/01/37/00/1283013700.db2.gz SAJDLJAXGAKFBT-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906735 1283112697 /nfs/dbraw/zinc/11/26/97/1283112697.db2.gz DZSKBTHWZPNSLC-HYVNUMGLSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906735 1283112701 /nfs/dbraw/zinc/11/27/01/1283112701.db2.gz DZSKBTHWZPNSLC-HYVNUMGLSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906735 1283112707 /nfs/dbraw/zinc/11/27/07/1283112707.db2.gz DZSKBTHWZPNSLC-HYVNUMGLSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056831 1283191296 /nfs/dbraw/zinc/19/12/96/1283191296.db2.gz RLIUFSXXZMXBAK-VQIMIIECSA-N 2 1 329.488 2.622 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264795 1283217983 /nfs/dbraw/zinc/21/79/83/1283217983.db2.gz BOQQHZPNBSMHFW-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264795 1283217989 /nfs/dbraw/zinc/21/79/89/1283217989.db2.gz BOQQHZPNBSMHFW-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731403 1283291905 /nfs/dbraw/zinc/29/19/05/1283291905.db2.gz SSBZVZZFRYISHU-DOTOQJQBSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754431 1283421743 /nfs/dbraw/zinc/42/17/43/1283421743.db2.gz FYTSHCFOLVUDGS-APWZRJJASA-N 2 1 338.455 2.755 20 30 EFEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755580 1283428752 /nfs/dbraw/zinc/42/87/52/1283428752.db2.gz ZFIXLOZTEQGNNJ-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755580 1283428759 /nfs/dbraw/zinc/42/87/59/1283428759.db2.gz ZFIXLOZTEQGNNJ-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755580 1283428764 /nfs/dbraw/zinc/42/87/64/1283428764.db2.gz ZFIXLOZTEQGNNJ-IEBWSBKVSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093223903 1283513410 /nfs/dbraw/zinc/51/34/10/1283513410.db2.gz JDYIBWXWDMTUAZ-SJLPKXTDSA-N 2 1 329.488 2.622 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773782 1283555149 /nfs/dbraw/zinc/55/51/49/1283555149.db2.gz SVIGVVUCPGVWQI-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773719 1283556170 /nfs/dbraw/zinc/55/61/70/1283556170.db2.gz RWGNJLXYOSQGHU-PBHICJAKSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176025195 1287660357 /nfs/dbraw/zinc/66/03/57/1287660357.db2.gz YXTROZZMBXRMPW-AWEZNQCLSA-N 2 1 348.329 2.501 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793722 1283723304 /nfs/dbraw/zinc/72/33/04/1283723304.db2.gz KKYNRRVTLHWVAR-JKSUJKDBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793597 1283724197 /nfs/dbraw/zinc/72/41/97/1283724197.db2.gz HYXQXUGQVJKVJW-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801286 1283767549 /nfs/dbraw/zinc/76/75/49/1283767549.db2.gz JDZNCVJMGJADFE-WMZOPIPTSA-N 2 1 345.487 2.844 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518632 1283779517 /nfs/dbraw/zinc/77/95/17/1283779517.db2.gz LZVJSNCXMUFHNJ-AZUAARDMSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC/C=C\CC)C2)CC1 ZINC001132518642 1283779832 /nfs/dbraw/zinc/77/98/32/1283779832.db2.gz MBUNGTBRALHSIV-DDRDIHNTSA-N 2 1 345.531 2.657 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093371650 1283809416 /nfs/dbraw/zinc/80/94/16/1283809416.db2.gz AMFANZCPEAUADU-MOPGFXCFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093372611 1283812854 /nfs/dbraw/zinc/81/28/54/1283812854.db2.gz FYCLTMXLORKAEO-RTBURBONSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093382845 1283853719 /nfs/dbraw/zinc/85/37/19/1283853719.db2.gz FDAKAEYABFWGHR-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382845 1283853727 /nfs/dbraw/zinc/85/37/27/1283853727.db2.gz FDAKAEYABFWGHR-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382845 1283853738 /nfs/dbraw/zinc/85/37/38/1283853738.db2.gz FDAKAEYABFWGHR-OALUTQOASA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671645 /nfs/dbraw/zinc/67/16/45/1287671645.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671652 /nfs/dbraw/zinc/67/16/52/1287671652.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671657 /nfs/dbraw/zinc/67/16/57/1287671657.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671666 /nfs/dbraw/zinc/67/16/66/1287671666.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671674 /nfs/dbraw/zinc/67/16/74/1287671674.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 1 339.527 2.832 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652157 1287671931 /nfs/dbraw/zinc/67/19/31/1287671931.db2.gz RGIJEIDQTHCGSN-SJLPKXTDSA-N 2 1 329.444 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652157 1287671934 /nfs/dbraw/zinc/67/19/34/1287671934.db2.gz RGIJEIDQTHCGSN-SJLPKXTDSA-N 2 1 329.444 2.851 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@@H]21 ZINC001036821331 1284061952 /nfs/dbraw/zinc/06/19/52/1284061952.db2.gz YIEFNQXLFZJQQD-PMACEKPBSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148170 1284382811 /nfs/dbraw/zinc/38/28/11/1284382811.db2.gz MHEGTPVDQGDVMB-YRXWBPOGSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866921 1284440028 /nfs/dbraw/zinc/44/00/28/1284440028.db2.gz MKQRXRBULYLWAF-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866920 1284440204 /nfs/dbraw/zinc/44/02/04/1284440204.db2.gz MKQRXRBULYLWAF-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176112603 1287713785 /nfs/dbraw/zinc/71/37/85/1287713785.db2.gz WTVFUCOMKCMENC-OALUTQOASA-N 2 1 335.536 2.929 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942210 1284498905 /nfs/dbraw/zinc/49/89/05/1284498905.db2.gz YILKODKXYXJXFS-DLBZAZTESA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942212 1284499201 /nfs/dbraw/zinc/49/92/01/1284499201.db2.gz YILKODKXYXJXFS-IRXDYDNUSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011372 1284653773 /nfs/dbraw/zinc/65/37/73/1284653773.db2.gz JAIRYHMTISVKMN-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011370 1284653865 /nfs/dbraw/zinc/65/38/65/1284653865.db2.gz IZGVMRHVXFCVGT-RTBURBONSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120782 1284830017 /nfs/dbraw/zinc/83/00/17/1284830017.db2.gz AYPMBROLSGIARV-ROUUACIJSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142503 1284863419 /nfs/dbraw/zinc/86/34/19/1284863419.db2.gz NQLYEOWHVWGLBO-IRXDYDNUSA-N 2 1 332.492 2.657 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433103 1285076405 /nfs/dbraw/zinc/07/64/05/1285076405.db2.gz QOFOPUQWDVXCOY-NLWGTHIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433103 1285076416 /nfs/dbraw/zinc/07/64/16/1285076416.db2.gz QOFOPUQWDVXCOY-NLWGTHIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433103 1285076429 /nfs/dbraw/zinc/07/64/29/1285076429.db2.gz QOFOPUQWDVXCOY-NLWGTHIKSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434022 1285077793 /nfs/dbraw/zinc/07/77/93/1285077793.db2.gz NQKONOWQXNLFJL-QKNQBKEWSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434022 1285077805 /nfs/dbraw/zinc/07/78/05/1285077805.db2.gz NQKONOWQXNLFJL-QKNQBKEWSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434022 1285077812 /nfs/dbraw/zinc/07/78/12/1285077812.db2.gz NQKONOWQXNLFJL-QKNQBKEWSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450285 1285120576 /nfs/dbraw/zinc/12/05/76/1285120576.db2.gz JREGXZLWQISSQM-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450285 1285120582 /nfs/dbraw/zinc/12/05/82/1285120582.db2.gz JREGXZLWQISSQM-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450285 1285120586 /nfs/dbraw/zinc/12/05/86/1285120586.db2.gz JREGXZLWQISSQM-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094496568 1285159526 /nfs/dbraw/zinc/15/95/26/1285159526.db2.gz BFXWAAMZRCTMEN-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094496568 1285159530 /nfs/dbraw/zinc/15/95/30/1285159530.db2.gz BFXWAAMZRCTMEN-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094496568 1285159534 /nfs/dbraw/zinc/15/95/34/1285159534.db2.gz BFXWAAMZRCTMEN-NLWGTHIKSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158233 1285242805 /nfs/dbraw/zinc/24/28/05/1285242805.db2.gz IKIPXHOFGZVMSK-YDZRNGNQSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255325 /nfs/dbraw/zinc/25/53/25/1285255325.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255334 /nfs/dbraw/zinc/25/53/34/1285255334.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255344 /nfs/dbraw/zinc/25/53/44/1285255344.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257933 /nfs/dbraw/zinc/25/79/33/1285257933.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257940 /nfs/dbraw/zinc/25/79/40/1285257940.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257953 /nfs/dbraw/zinc/25/79/53/1285257953.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258431 /nfs/dbraw/zinc/25/84/31/1285258431.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258437 /nfs/dbraw/zinc/25/84/37/1285258437.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258456 /nfs/dbraw/zinc/25/84/56/1285258456.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133403832 1285355937 /nfs/dbraw/zinc/35/59/37/1285355937.db2.gz LNJLMJNAOPLWEW-INIZCTEOSA-N 2 1 349.906 2.929 20 30 EFEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CCC ZINC001133410361 1285369859 /nfs/dbraw/zinc/36/98/59/1285369859.db2.gz AZSLTTZKADBHQC-UHFFFAOYSA-N 2 1 349.906 2.623 20 30 EFEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410400 1285370489 /nfs/dbraw/zinc/37/04/89/1285370489.db2.gz CXRPQVMUPXOYDJ-UHFFFAOYSA-N 2 1 349.906 2.623 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904107 1285391342 /nfs/dbraw/zinc/39/13/42/1285391342.db2.gz MQXHLORBNZFBRD-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903972 1285391913 /nfs/dbraw/zinc/39/19/13/1285391913.db2.gz KEQJERDBWDYJKS-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114735 1286025433 /nfs/dbraw/zinc/02/54/33/1286025433.db2.gz SRIOMXCIUKVFND-BCDXTJNWSA-N 2 1 347.503 2.722 20 30 EFEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499979 1286173226 /nfs/dbraw/zinc/17/32/26/1286173226.db2.gz VWANJPZTAMZJCD-MISYRCLQSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499979 1286173231 /nfs/dbraw/zinc/17/32/31/1286173231.db2.gz VWANJPZTAMZJCD-MISYRCLQSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499979 1286173237 /nfs/dbraw/zinc/17/32/37/1286173237.db2.gz VWANJPZTAMZJCD-MISYRCLQSA-N 2 1 342.487 2.687 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179154271 1289059810 /nfs/dbraw/zinc/05/98/10/1289059810.db2.gz UGRLQEYJGVWBMG-ULQDDVLXSA-N 2 1 344.503 2.696 20 30 EFEDMP C[Si](C)(C)C#C[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170720277 1286254608 /nfs/dbraw/zinc/25/46/08/1286254608.db2.gz OFRQJIPMTNREEF-WGSAOQKQSA-N 2 1 333.596 2.753 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742346 1286524343 /nfs/dbraw/zinc/52/43/43/1286524343.db2.gz LEIMEVYKKGRYSE-JKSUJKDBSA-N 2 1 329.916 2.876 20 30 EFEDMP Cn1cc(CN2CC[C@@H]3C[N@H+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530417 /nfs/dbraw/zinc/53/04/17/1286530417.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 1 341.503 2.646 20 30 EFEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279665 1287920785 /nfs/dbraw/zinc/92/07/85/1287920785.db2.gz PDYLHDMPQNBSAM-LJQANCHMSA-N 2 1 343.515 2.645 20 30 EFEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754639 1288120919 /nfs/dbraw/zinc/12/09/19/1288120919.db2.gz XEARDHIBIVSAAD-LJQANCHMSA-N 2 1 343.515 2.643 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759331 1288122489 /nfs/dbraw/zinc/12/24/89/1288122489.db2.gz JAOPKUMJJMMBJB-IEBWSBKVSA-N 2 1 329.488 2.577 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759332 1288122592 /nfs/dbraw/zinc/12/25/92/1288122592.db2.gz JAOPKUMJJMMBJB-MJGOQNOKSA-N 2 1 329.488 2.577 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759842 1288123041 /nfs/dbraw/zinc/12/30/41/1288123041.db2.gz MFTLWSYZOHFHPJ-HKUYNNGSSA-N 2 1 329.488 2.577 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680264 1288252462 /nfs/dbraw/zinc/25/24/62/1288252462.db2.gz UAVZJHRTRCBYJQ-UONOGXRCSA-N 2 1 326.872 2.597 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317424 1288385706 /nfs/dbraw/zinc/38/57/06/1288385706.db2.gz WIBYGQYINDCZHK-FQEVSTJZSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328505 1288393284 /nfs/dbraw/zinc/39/32/84/1288393284.db2.gz LVYAIPAOHLMBSS-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001177342540 1288400048 /nfs/dbraw/zinc/40/00/48/1288400048.db2.gz OWSLJXSONIUCCB-HXUWFJFHSA-N 2 1 347.547 2.883 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348161 1288413179 /nfs/dbraw/zinc/41/31/79/1288413179.db2.gz AVAYUGUFZITVED-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177467190 1288431733 /nfs/dbraw/zinc/43/17/33/1288431733.db2.gz UZUMBVAEAZARTK-UHFFFAOYSA-N 2 1 335.536 2.740 20 30 EFEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477625 1288464163 /nfs/dbraw/zinc/46/41/63/1288464163.db2.gz JREKKJWIOQGJLX-QGZVFWFLSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178528399 1288807388 /nfs/dbraw/zinc/80/73/88/1288807388.db2.gz XZUXUNQHXVFRJF-KRWDZBQOSA-N 2 1 332.492 2.686 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178722934 1288868114 /nfs/dbraw/zinc/86/81/14/1288868114.db2.gz WMTWNSIHLAOUOG-IBGZPJMESA-N 2 1 333.520 2.540 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178722934 1288868119 /nfs/dbraw/zinc/86/81/19/1288868119.db2.gz WMTWNSIHLAOUOG-IBGZPJMESA-N 2 1 333.520 2.540 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693562 1288873547 /nfs/dbraw/zinc/87/35/47/1288873547.db2.gz WFGZLUSIEFOVAN-LJQANCHMSA-N 2 1 333.520 2.683 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736599 1288888834 /nfs/dbraw/zinc/88/88/34/1288888834.db2.gz YVYZVAUYDZDNSR-ULQDDVLXSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554174 1289188631 /nfs/dbraw/zinc/18/86/31/1289188631.db2.gz SQRCTSMRTUVKAQ-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C#CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179741720 1289236230 /nfs/dbraw/zinc/23/62/30/1289236230.db2.gz MUDLQPNYOHRRAL-UHFFFAOYSA-N 2 1 332.492 2.686 20 30 EFEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001180039685 1289392027 /nfs/dbraw/zinc/39/20/27/1289392027.db2.gz HCUNZPORQAYHMV-IBGZPJMESA-N 2 1 329.488 2.579 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299572 1289475491 /nfs/dbraw/zinc/47/54/91/1289475491.db2.gz TYUDTYKDUAANBI-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299572 1289475494 /nfs/dbraw/zinc/47/54/94/1289475494.db2.gz TYUDTYKDUAANBI-HKUYNNGSSA-N 2 1 329.488 2.664 20 30 EFEDMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925773 1289932294 /nfs/dbraw/zinc/93/22/94/1289932294.db2.gz PWVDWGJCFDYRDX-MOPGFXCFSA-N 2 1 342.487 2.521 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001181763352 1289932807 /nfs/dbraw/zinc/93/28/07/1289932807.db2.gz GFWDVMVZIDDBSU-VWICVCDTSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001181763352 1289932811 /nfs/dbraw/zinc/93/28/11/1289932811.db2.gz GFWDVMVZIDDBSU-VWICVCDTSA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398494 1290340430 /nfs/dbraw/zinc/34/04/30/1290340430.db2.gz BUXVFSXUVLKFJU-GPMSIDNRSA-N 2 1 332.492 2.620 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517092 1290353402 /nfs/dbraw/zinc/35/34/02/1290353402.db2.gz OPDDCVSWBONILM-YVWKXTFCSA-N 2 1 329.488 2.550 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517127 1290354041 /nfs/dbraw/zinc/35/40/41/1290354041.db2.gz QGOMUZXEMCXFTK-UWWQBHOKSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714360 1290498341 /nfs/dbraw/zinc/49/83/41/1290498341.db2.gz XYJZRZTWRYNSTM-DZGCQCFKSA-N 2 1 329.916 2.543 20 30 EFEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892116 1290539348 /nfs/dbraw/zinc/53/93/48/1290539348.db2.gz NCFZECPDRPXKCX-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001232898654 1312805516 /nfs/dbraw/zinc/80/55/16/1312805516.db2.gz YGOPEFJKCBPMPJ-UHFFFAOYSA-N 2 1 334.261 2.848 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185790314 1290762455 /nfs/dbraw/zinc/76/24/55/1290762455.db2.gz ZIBRFBGLLISJMK-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185790314 1290762463 /nfs/dbraw/zinc/76/24/63/1290762463.db2.gz ZIBRFBGLLISJMK-ICSRJNTNSA-N 2 1 343.515 2.769 20 30 EFEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001232925131 1312810811 /nfs/dbraw/zinc/81/08/11/1312810811.db2.gz NHLPCPUSMJLCOH-UHFFFAOYSA-N 2 1 347.466 2.836 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067166 1290828123 /nfs/dbraw/zinc/82/81/23/1290828123.db2.gz AWTABFSKSDTXJF-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213586 1291343611 /nfs/dbraw/zinc/34/36/11/1291343611.db2.gz YJCSKMLBXSCMST-PKOBYXMFSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213586 1291343619 /nfs/dbraw/zinc/34/36/19/1291343619.db2.gz YJCSKMLBXSCMST-PKOBYXMFSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213586 1291343628 /nfs/dbraw/zinc/34/36/28/1291343628.db2.gz YJCSKMLBXSCMST-PKOBYXMFSA-N 2 1 335.536 2.974 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869542 1312856873 /nfs/dbraw/zinc/85/68/73/1312856873.db2.gz CUGDOJBJIQYXMO-KRWDZBQOSA-N 2 1 344.503 2.596 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001114728655 1291584848 /nfs/dbraw/zinc/58/48/48/1291584848.db2.gz HXQDKPQBGUJVGA-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001114728655 1291584854 /nfs/dbraw/zinc/58/48/54/1291584854.db2.gz HXQDKPQBGUJVGA-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001114728655 1291584860 /nfs/dbraw/zinc/58/48/60/1291584860.db2.gz HXQDKPQBGUJVGA-WCIQWLHISA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312565 1291668299 /nfs/dbraw/zinc/66/82/99/1291668299.db2.gz VQMMAHIMAZMKJA-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(C(=O)OC)CC[NH2+]CC2)cc1 ZINC001166981723 1312875164 /nfs/dbraw/zinc/87/51/64/1312875164.db2.gz NEDVNBUQAVEERU-GOSISDBHSA-N 2 1 343.471 2.717 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552210 1291751441 /nfs/dbraw/zinc/75/14/41/1291751441.db2.gz IZLJBASQTFOLBP-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559136 1291764527 /nfs/dbraw/zinc/76/45/27/1291764527.db2.gz CVXULDXCMUEXDE-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561062 1291768265 /nfs/dbraw/zinc/76/82/65/1291768265.db2.gz FLOZUQHRLXLPQV-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561175 1291768707 /nfs/dbraw/zinc/76/87/07/1291768707.db2.gz IEQVHNDYWHQHIO-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCC)CC2 ZINC000957561190 1291768764 /nfs/dbraw/zinc/76/87/64/1291768764.db2.gz IXKYIHPDEXNKED-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCC)CC2 ZINC000957561190 1291768769 /nfs/dbraw/zinc/76/87/69/1291768769.db2.gz IXKYIHPDEXNKED-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786594 1291861789 /nfs/dbraw/zinc/86/17/89/1291861789.db2.gz FYMIGXJZFROGSG-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786594 1291861804 /nfs/dbraw/zinc/86/18/04/1291861804.db2.gz FYMIGXJZFROGSG-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786594 1291861813 /nfs/dbraw/zinc/86/18/13/1291861813.db2.gz FYMIGXJZFROGSG-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957620906 1291900651 /nfs/dbraw/zinc/90/06/51/1291900651.db2.gz ONJSSONJZCKBET-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049466108 1312890724 /nfs/dbraw/zinc/89/07/24/1312890724.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049466108 1312890727 /nfs/dbraw/zinc/89/07/27/1312890727.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049466108 1312890730 /nfs/dbraw/zinc/89/07/30/1312890730.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647504 1291959228 /nfs/dbraw/zinc/95/92/28/1291959228.db2.gz KMPSKLVYKGIJEJ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647433 1291959912 /nfs/dbraw/zinc/95/99/12/1291959912.db2.gz HZIXVLHHVLHXMS-KDURUIRLSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213068 1292069134 /nfs/dbraw/zinc/06/91/34/1292069134.db2.gz UUIVVDKEAFOVDY-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478504 1312906921 /nfs/dbraw/zinc/90/69/21/1312906921.db2.gz PBIIZTWSGNABFU-ZWKOTPCHSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190486348 1292180320 /nfs/dbraw/zinc/18/03/20/1292180320.db2.gz CBSQMKYJNQZIPJ-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486348 1292180324 /nfs/dbraw/zinc/18/03/24/1292180324.db2.gz CBSQMKYJNQZIPJ-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486348 1292180327 /nfs/dbraw/zinc/18/03/27/1292180327.db2.gz CBSQMKYJNQZIPJ-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486348 1292180330 /nfs/dbraw/zinc/18/03/30/1292180330.db2.gz CBSQMKYJNQZIPJ-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486348 1292180334 /nfs/dbraw/zinc/18/03/34/1292180334.db2.gz CBSQMKYJNQZIPJ-VQTJNVASSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480562 1312909166 /nfs/dbraw/zinc/90/91/66/1312909166.db2.gz FWNNFZGCQFXOQA-HZMVEIRTSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480562 1312909170 /nfs/dbraw/zinc/90/91/70/1312909170.db2.gz FWNNFZGCQFXOQA-HZMVEIRTSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480562 1312909173 /nfs/dbraw/zinc/90/91/73/1312909173.db2.gz FWNNFZGCQFXOQA-HZMVEIRTSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480562 1312909175 /nfs/dbraw/zinc/90/91/75/1312909175.db2.gz FWNNFZGCQFXOQA-HZMVEIRTSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663986 1312912346 /nfs/dbraw/zinc/91/23/46/1312912346.db2.gz WSCUJZWVWUEPHZ-RBUKOAKNSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417867 1312920375 /nfs/dbraw/zinc/92/03/75/1312920375.db2.gz DGEQJIXMJZEZMK-DLBZAZTESA-N 2 1 333.520 2.702 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417868 1312920678 /nfs/dbraw/zinc/92/06/78/1312920678.db2.gz DGEQJIXMJZEZMK-IAGOWNOFSA-N 2 1 333.520 2.702 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001191008859 1292422061 /nfs/dbraw/zinc/42/20/61/1292422061.db2.gz CEMHOERIFGZXJH-ZWKOTPCHSA-N 2 1 346.519 2.949 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001191008855 1292422242 /nfs/dbraw/zinc/42/22/42/1292422242.db2.gz CEMHOERIFGZXJH-MSOLQXFVSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082058 1292457043 /nfs/dbraw/zinc/45/70/43/1292457043.db2.gz TWFXXAKWLCOANW-KRWDZBQOSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016701923 1312934749 /nfs/dbraw/zinc/93/47/49/1312934749.db2.gz GLYAUBMWEHIZDM-ZWKOTPCHSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515732 1292557681 /nfs/dbraw/zinc/55/76/81/1292557681.db2.gz VTIMOZNICSLMKY-LJQANCHMSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493287 1312938393 /nfs/dbraw/zinc/93/83/93/1312938393.db2.gz SGTKUGTZIWQAAQ-MSOLQXFVSA-N 2 1 344.503 2.955 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203492973 1312938445 /nfs/dbraw/zinc/93/84/45/1312938445.db2.gz PJADOHIFFAZLDH-IRXDYDNUSA-N 2 1 330.476 2.565 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509454 1312942409 /nfs/dbraw/zinc/94/24/09/1312942409.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509454 1312942413 /nfs/dbraw/zinc/94/24/13/1312942413.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509454 1312942417 /nfs/dbraw/zinc/94/24/17/1312942417.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514523 1312949968 /nfs/dbraw/zinc/94/99/68/1312949968.db2.gz GRVAGJZQJMYKBS-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514523 1312949971 /nfs/dbraw/zinc/94/99/71/1312949971.db2.gz GRVAGJZQJMYKBS-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514523 1312949975 /nfs/dbraw/zinc/94/99/75/1312949975.db2.gz GRVAGJZQJMYKBS-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967490 1292740466 /nfs/dbraw/zinc/74/04/66/1292740466.db2.gz ISZYYJDCJMNEDL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967490 1292740471 /nfs/dbraw/zinc/74/04/71/1292740471.db2.gz ISZYYJDCJMNEDL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967490 1292740477 /nfs/dbraw/zinc/74/04/77/1292740477.db2.gz ISZYYJDCJMNEDL-GBESFXJTSA-N 2 1 335.536 2.996 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114839721 1292817192 /nfs/dbraw/zinc/81/71/92/1292817192.db2.gz FKKQNAPXCJTRDZ-DZFIZOCASA-N 2 1 335.536 2.735 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114839721 1292817208 /nfs/dbraw/zinc/81/72/08/1292817208.db2.gz FKKQNAPXCJTRDZ-DZFIZOCASA-N 2 1 335.536 2.735 20 30 EFEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114839721 1292817225 /nfs/dbraw/zinc/81/72/25/1292817225.db2.gz FKKQNAPXCJTRDZ-DZFIZOCASA-N 2 1 335.536 2.735 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049519708 1312959079 /nfs/dbraw/zinc/95/90/79/1312959079.db2.gz AQIVFLGILBCQOJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519708 1312959082 /nfs/dbraw/zinc/95/90/82/1312959082.db2.gz AQIVFLGILBCQOJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519708 1312959085 /nfs/dbraw/zinc/95/90/85/1312959085.db2.gz AQIVFLGILBCQOJ-IPMKNSEASA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597910 1292939789 /nfs/dbraw/zinc/93/97/89/1292939789.db2.gz XOKKAPOSGCSFEZ-IAGOWNOFSA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597910 1292939797 /nfs/dbraw/zinc/93/97/97/1292939797.db2.gz XOKKAPOSGCSFEZ-IAGOWNOFSA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192640565 1292969060 /nfs/dbraw/zinc/96/90/60/1292969060.db2.gz CAFUTAGXTWPFKI-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192640565 1292969067 /nfs/dbraw/zinc/96/90/67/1292969067.db2.gz CAFUTAGXTWPFKI-QGZVFWFLSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641874 1292971296 /nfs/dbraw/zinc/97/12/96/1292971296.db2.gz OKHPYEVJZDWMFU-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641874 1292971306 /nfs/dbraw/zinc/97/13/06/1292971306.db2.gz OKHPYEVJZDWMFU-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525823 1312967106 /nfs/dbraw/zinc/96/71/06/1312967106.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525823 1312967111 /nfs/dbraw/zinc/96/71/11/1312967111.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525823 1312967113 /nfs/dbraw/zinc/96/71/13/1312967113.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 2 1 331.504 2.645 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049529379 1312971286 /nfs/dbraw/zinc/97/12/86/1312971286.db2.gz LPPMVVDAYLCXKP-QYZOEREBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049529379 1312971289 /nfs/dbraw/zinc/97/12/89/1312971289.db2.gz LPPMVVDAYLCXKP-QYZOEREBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049529379 1312971291 /nfs/dbraw/zinc/97/12/91/1312971291.db2.gz LPPMVVDAYLCXKP-QYZOEREBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049529379 1312971294 /nfs/dbraw/zinc/97/12/94/1312971294.db2.gz LPPMVVDAYLCXKP-QYZOEREBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788500 1312980216 /nfs/dbraw/zinc/98/02/16/1312980216.db2.gz ZGVGROGULYQXJH-RTBURBONSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049538065 1312981819 /nfs/dbraw/zinc/98/18/19/1312981819.db2.gz SYTZGDNMKDFXPI-BRWVUGGUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049538065 1312981822 /nfs/dbraw/zinc/98/18/22/1312981822.db2.gz SYTZGDNMKDFXPI-BRWVUGGUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538065 1312981825 /nfs/dbraw/zinc/98/18/25/1312981825.db2.gz SYTZGDNMKDFXPI-BRWVUGGUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538065 1312981827 /nfs/dbraw/zinc/98/18/27/1312981827.db2.gz SYTZGDNMKDFXPI-BRWVUGGUSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001049544179 1312990557 /nfs/dbraw/zinc/99/05/57/1312990557.db2.gz BOPSGRCJKRGJHV-IAGOWNOFSA-N 2 1 330.476 2.568 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544608 1312991669 /nfs/dbraw/zinc/99/16/69/1312991669.db2.gz DRJVDHYRPDQVGA-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546219 1312993625 /nfs/dbraw/zinc/99/36/25/1312993625.db2.gz PNNXJGZRKIYTNV-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000883131376 1293473523 /nfs/dbraw/zinc/47/35/23/1293473523.db2.gz ZFQDJFNPPHPNPK-UHFFFAOYSA-N 2 1 325.243 2.686 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000883131376 1293473526 /nfs/dbraw/zinc/47/35/26/1293473526.db2.gz ZFQDJFNPPHPNPK-UHFFFAOYSA-N 2 1 325.243 2.686 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000883131148 1293473636 /nfs/dbraw/zinc/47/36/36/1293473636.db2.gz JVHUYPZQVPKPON-UHFFFAOYSA-N 2 1 338.377 2.637 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000883131148 1293473641 /nfs/dbraw/zinc/47/36/41/1293473641.db2.gz JVHUYPZQVPKPON-UHFFFAOYSA-N 2 1 338.377 2.637 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC001194226871 1293561120 /nfs/dbraw/zinc/56/11/20/1293561120.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 1 347.528 2.605 20 30 EFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275169 1293562499 /nfs/dbraw/zinc/56/24/99/1293562499.db2.gz POPSDEKEWAYBGI-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275169 1293562505 /nfs/dbraw/zinc/56/25/05/1293562505.db2.gz POPSDEKEWAYBGI-MOPGFXCFSA-N 2 1 329.488 2.788 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813907 1313022209 /nfs/dbraw/zinc/02/22/09/1313022209.db2.gz FZZWQMZKAPUAJO-RBUKOAKNSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813907 1313022212 /nfs/dbraw/zinc/02/22/12/1313022212.db2.gz FZZWQMZKAPUAJO-RBUKOAKNSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813909 1313022463 /nfs/dbraw/zinc/02/24/63/1313022463.db2.gz FZZWQMZKAPUAJO-RTBURBONSA-N 2 1 341.499 2.712 20 30 EFEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813909 1313022465 /nfs/dbraw/zinc/02/24/65/1313022465.db2.gz FZZWQMZKAPUAJO-RTBURBONSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815670 1313022833 /nfs/dbraw/zinc/02/28/33/1313022833.db2.gz QKYFRWXGSPAVAQ-RTBURBONSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203815670 1313022836 /nfs/dbraw/zinc/02/28/36/1313022836.db2.gz QKYFRWXGSPAVAQ-RTBURBONSA-N 2 1 341.499 2.712 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568775 1313030926 /nfs/dbraw/zinc/03/09/26/1313030926.db2.gz WKFKKJMFFYSJNM-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569544 1313031577 /nfs/dbraw/zinc/03/15/77/1313031577.db2.gz ZDSLRQVFZXDQJF-QZTJIDSGSA-N 2 1 331.504 2.646 20 30 EFEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313043996 /nfs/dbraw/zinc/04/39/96/1313043996.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313043999 /nfs/dbraw/zinc/04/39/99/1313043999.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313044003 /nfs/dbraw/zinc/04/40/03/1313044003.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313044007 /nfs/dbraw/zinc/04/40/07/1313044007.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313044011 /nfs/dbraw/zinc/04/40/11/1313044011.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 1 332.451 2.907 20 30 EFEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195899771 1294062883 /nfs/dbraw/zinc/06/28/83/1294062883.db2.gz DVALOEGOJWLKEA-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195899771 1294062888 /nfs/dbraw/zinc/06/28/88/1294062888.db2.gz DVALOEGOJWLKEA-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195899771 1294062893 /nfs/dbraw/zinc/06/28/93/1294062893.db2.gz DVALOEGOJWLKEA-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196026115 1294110813 /nfs/dbraw/zinc/11/08/13/1294110813.db2.gz ZKTXPBOWCSXNRZ-IAGOWNOFSA-N 2 1 327.488 2.555 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163479 1294155155 /nfs/dbraw/zinc/15/51/55/1294155155.db2.gz PEVPTVWDDOPFJI-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163479 1294155156 /nfs/dbraw/zinc/15/51/56/1294155156.db2.gz PEVPTVWDDOPFJI-IRXDYDNUSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2cncn2c1 ZINC001049589694 1313058532 /nfs/dbraw/zinc/05/85/32/1313058532.db2.gz AWCPEWUGSPXKSJ-IRXDYDNUSA-N 2 1 344.846 2.766 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196642068 1294302173 /nfs/dbraw/zinc/30/21/73/1294302173.db2.gz YUVDBNCWXPJETB-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596458 1313066643 /nfs/dbraw/zinc/06/66/43/1313066643.db2.gz WQPWMZLPUKXPOZ-RTBURBONSA-N 2 1 338.455 2.979 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596452 1313066852 /nfs/dbraw/zinc/06/68/52/1313066852.db2.gz WQPWMZLPUKXPOZ-MOPGFXCFSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158159 1294470779 /nfs/dbraw/zinc/47/07/79/1294470779.db2.gz JRHHPIFHQCNTID-FUHWJXTLSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158159 1294470781 /nfs/dbraw/zinc/47/07/81/1294470781.db2.gz JRHHPIFHQCNTID-FUHWJXTLSA-N 2 1 344.503 2.643 20 30 EFEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303707370 1294562500 /nfs/dbraw/zinc/56/25/00/1294562500.db2.gz MGJRZCHWLDQIGU-LPHOPBHVSA-N 2 1 344.503 2.879 20 30 EFEDMP c1ccc(NC(=[NH+]CCC[NH+]2CCOCC2)N2CCCCC2)cc1 ZINC000303711249 1294564477 /nfs/dbraw/zinc/56/44/77/1294564477.db2.gz PDGMOOPOQRLEAL-UHFFFAOYSA-N 2 1 330.476 2.663 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722490 1294569983 /nfs/dbraw/zinc/56/99/83/1294569983.db2.gz YHOJAMIHSGFBRY-AWEZNQCLSA-N 2 1 328.382 2.594 20 30 EFEDMP CCCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303775696 1294577854 /nfs/dbraw/zinc/57/78/54/1294577854.db2.gz GXUNAHQVCBDLSI-GOSISDBHSA-N 2 1 332.492 2.927 20 30 EFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCC1CCC1)c1cccc(OC)c1 ZINC000303770698 1294578072 /nfs/dbraw/zinc/57/80/72/1294578072.db2.gz CAYOCUMWSRAUGK-SFHVURJKSA-N 2 1 332.492 2.783 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774837 1294578271 /nfs/dbraw/zinc/57/82/71/1294578271.db2.gz GEYINKOFWJWNEP-OAHLLOKOSA-N 2 1 338.496 2.697 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772138 1294578721 /nfs/dbraw/zinc/57/87/21/1294578721.db2.gz DGTGPOFELFTMBZ-ZDUSSCGKSA-N 2 1 346.372 2.733 20 30 EFEDMP COc1cccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000303782472 1294579776 /nfs/dbraw/zinc/57/97/76/1294579776.db2.gz NGZPEXVSPUXGTD-QFBILLFUSA-N 2 1 344.503 2.879 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610676 1313085664 /nfs/dbraw/zinc/08/56/64/1313085664.db2.gz AUKDXGFDLTZXQQ-WOJBJXKFSA-N 2 1 341.499 2.656 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775806 1294580562 /nfs/dbraw/zinc/58/05/62/1294580562.db2.gz HDOWHSPFYQFOPF-SJLPKXTDSA-N 2 1 332.492 2.543 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303881123 1294596122 /nfs/dbraw/zinc/59/61/22/1294596122.db2.gz KQSIBAOXMKCHDD-SJORKVTESA-N 2 1 345.535 2.810 20 30 EFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303881121 1294596901 /nfs/dbraw/zinc/59/69/01/1294596901.db2.gz KQSIBAOXMKCHDD-IRXDYDNUSA-N 2 1 345.535 2.810 20 30 EFEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303890788 1294597855 /nfs/dbraw/zinc/59/78/55/1294597855.db2.gz MQCHBNWERIDURH-IXDOHACOSA-N 2 1 346.519 2.604 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303890787 1294597938 /nfs/dbraw/zinc/59/79/38/1294597938.db2.gz MQCHBNWERIDURH-BBWFWOEESA-N 2 1 346.519 2.604 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303888782 1294597990 /nfs/dbraw/zinc/59/79/90/1294597990.db2.gz PDFIDDPDPLOOAH-OAHLLOKOSA-N 2 1 338.455 2.869 20 30 EFEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303888782 1294597993 /nfs/dbraw/zinc/59/79/93/1294597993.db2.gz PDFIDDPDPLOOAH-OAHLLOKOSA-N 2 1 338.455 2.869 20 30 EFEDMP CCCCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000303882402 1294598632 /nfs/dbraw/zinc/59/86/32/1294598632.db2.gz IAJQPQNALXCRPW-KRWDZBQOSA-N 2 1 332.492 2.754 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303895357 1294599844 /nfs/dbraw/zinc/59/98/44/1294599844.db2.gz PJPUZWRJQDIRMG-GASCZTMLSA-N 2 1 348.491 2.798 20 30 EFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCCC1 ZINC000303910426 1294603044 /nfs/dbraw/zinc/60/30/44/1294603044.db2.gz YWJCWHVIUXSCBO-QGZVFWFLSA-N 2 1 332.492 2.783 20 30 EFEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)o1 ZINC000303980524 1294615816 /nfs/dbraw/zinc/61/58/16/1294615816.db2.gz ODYUTOSXOWKZOZ-GOSISDBHSA-N 2 1 340.471 2.872 20 30 EFEDMP Cc1ccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)o1 ZINC000303980526 1294615863 /nfs/dbraw/zinc/61/58/63/1294615863.db2.gz ODYUTOSXOWKZOZ-SFHVURJKSA-N 2 1 340.471 2.872 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615350 1313089707 /nfs/dbraw/zinc/08/97/07/1313089707.db2.gz JEFBECOAAQJPAU-QRVBRYPASA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313511 1294835868 /nfs/dbraw/zinc/83/58/68/1294835868.db2.gz SALMEOZXTXUADM-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC/C=C/CCC)CC2)CC1 ZINC001198236551 1294949073 /nfs/dbraw/zinc/94/90/73/1294949073.db2.gz OGHXBNVEUHPTRL-VOTSOKGWSA-N 2 1 345.531 2.612 20 30 EFEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403787 1313120956 /nfs/dbraw/zinc/12/09/56/1313120956.db2.gz ZFRFJLXYAIPXQV-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403787 1313120957 /nfs/dbraw/zinc/12/09/57/1313120957.db2.gz ZFRFJLXYAIPXQV-IRXDYDNUSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640241 1313122291 /nfs/dbraw/zinc/12/22/91/1313122291.db2.gz UMRUXALXXLIOPL-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP CCCCCCC/C=C/C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276456979 1313127472 /nfs/dbraw/zinc/12/74/72/1313127472.db2.gz BPLXKEVENOZRJF-SWLLKCQXSA-N 2 1 337.552 2.850 20 30 EFEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276456979 1313127475 /nfs/dbraw/zinc/12/74/75/1313127475.db2.gz BPLXKEVENOZRJF-SWLLKCQXSA-N 2 1 337.552 2.850 20 30 EFEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198903222 1295306480 /nfs/dbraw/zinc/30/64/80/1295306480.db2.gz XMCPRTBDMDYWQO-WMZOPIPTSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049664673 1313156555 /nfs/dbraw/zinc/15/65/55/1313156555.db2.gz RDYAHSGYHRFECJ-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049664673 1313156559 /nfs/dbraw/zinc/15/65/59/1313156559.db2.gz RDYAHSGYHRFECJ-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049664673 1313156561 /nfs/dbraw/zinc/15/65/61/1313156561.db2.gz RDYAHSGYHRFECJ-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049664676 1313156735 /nfs/dbraw/zinc/15/67/35/1313156735.db2.gz RDYAHSGYHRFECJ-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049664676 1313156736 /nfs/dbraw/zinc/15/67/36/1313156736.db2.gz RDYAHSGYHRFECJ-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049664676 1313156738 /nfs/dbraw/zinc/15/67/38/1313156738.db2.gz RDYAHSGYHRFECJ-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP CC[C@@H](CNC(NCc1ccco1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000103337839 1295685209 /nfs/dbraw/zinc/68/52/09/1295685209.db2.gz MYRUHNXGKGRTEM-SFHVURJKSA-N 2 1 340.471 2.782 20 30 EFEDMP CC[C@@H](CNC(NCc1ccco1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000103337839 1295685217 /nfs/dbraw/zinc/68/52/17/1295685217.db2.gz MYRUHNXGKGRTEM-SFHVURJKSA-N 2 1 340.471 2.782 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676048 1313170328 /nfs/dbraw/zinc/17/03/28/1313170328.db2.gz KNLABDUNOUJIRY-DLBZAZTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049676048 1313170331 /nfs/dbraw/zinc/17/03/31/1313170331.db2.gz KNLABDUNOUJIRY-DLBZAZTESA-N 2 1 331.460 2.596 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304740510 1295746695 /nfs/dbraw/zinc/74/66/95/1295746695.db2.gz BRAWGNRIACZOJK-HXUWFJFHSA-N 2 1 336.483 2.798 20 30 EFEDMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1cccc(C)c1 ZINC000304759200 1295749868 /nfs/dbraw/zinc/74/98/68/1295749868.db2.gz QXYRMOLYPOXVEY-DLBZAZTESA-N 2 1 332.492 2.541 20 30 EFEDMP C=CC[NH2+]CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205026753 1313223155 /nfs/dbraw/zinc/22/31/55/1313223155.db2.gz XWZQDNVOCFTFEN-UHFFFAOYSA-N 2 1 327.394 2.599 20 30 EFEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)c(F)c3)(C1)CCC2 ZINC001275327077 1296258810 /nfs/dbraw/zinc/25/88/10/1296258810.db2.gz HYELWFKRLKRGES-VQTJNVASSA-N 2 1 344.478 2.784 20 30 EFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001275588327 1296316057 /nfs/dbraw/zinc/31/60/57/1296316057.db2.gz AGZGCVUIFGXFRC-LJQANCHMSA-N 2 1 346.544 2.859 20 30 EFEDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205219394 1313253323 /nfs/dbraw/zinc/25/33/23/1313253323.db2.gz BWUOQGBWLNIGIN-QFIPXVFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283522 1313264521 /nfs/dbraw/zinc/26/45/21/1313264521.db2.gz DNPHDKFSPGFSBP-OALUTQOASA-N 2 1 333.520 2.655 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201094808 1296569640 /nfs/dbraw/zinc/56/96/40/1296569640.db2.gz WOHWPHCKTMPCDM-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201094808 1296569649 /nfs/dbraw/zinc/56/96/49/1296569649.db2.gz WOHWPHCKTMPCDM-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452363 1313291778 /nfs/dbraw/zinc/29/17/78/1313291778.db2.gz BTCKJAPJDCKIKG-RBUKOAKNSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461312 1313293488 /nfs/dbraw/zinc/29/34/88/1313293488.db2.gz HBXAHEGPSHTSJS-LJQANCHMSA-N 2 1 333.520 2.798 20 30 EFEDMP CC(=O)Nc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)cc1 ZINC001277939100 1313298848 /nfs/dbraw/zinc/29/88/48/1313298848.db2.gz MUUFSGYATORJNS-UHFFFAOYSA-N 2 1 340.471 2.847 20 30 EFEDMP CC(=O)Nc1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)cc1 ZINC001277939100 1313298849 /nfs/dbraw/zinc/29/88/49/1313298849.db2.gz MUUFSGYATORJNS-UHFFFAOYSA-N 2 1 340.471 2.847 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518785 1313303462 /nfs/dbraw/zinc/30/34/62/1313303462.db2.gz KQLOIKQVDRHFRY-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668633 1313334592 /nfs/dbraw/zinc/33/45/92/1313334592.db2.gz JHGLWYCPESHLQN-PKOBYXMFSA-N 2 1 347.478 2.628 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686100 1313337315 /nfs/dbraw/zinc/33/73/15/1313337315.db2.gz SQTRLLZJUHKYTR-PKOBYXMFSA-N 2 1 347.478 2.626 20 30 EFEDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001205687905 1313338953 /nfs/dbraw/zinc/33/89/53/1313338953.db2.gz BSKBCDMZHJDVHK-QFIPXVFZSA-N 2 1 334.463 2.762 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818800 1313339354 /nfs/dbraw/zinc/33/93/54/1313339354.db2.gz AMKGNGUTHGDESF-RTBURBONSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703603 1313341184 /nfs/dbraw/zinc/34/11/84/1313341184.db2.gz JDSLYTKCHUGACG-UHFFFAOYSA-N 2 1 334.508 2.990 20 30 EFEDMP C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136934 1297237286 /nfs/dbraw/zinc/23/72/86/1297237286.db2.gz PKXNPLXSPRMXLS-RBUKOAKNSA-N 2 1 332.536 2.808 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837257 1313368871 /nfs/dbraw/zinc/36/88/71/1313368871.db2.gz AMGYVRYMKXOCMW-WOJBJXKFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837251 1313368985 /nfs/dbraw/zinc/36/89/85/1313368985.db2.gz AMGYVRYMKXOCMW-PMACEKPBSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722540 1313383337 /nfs/dbraw/zinc/38/33/37/1313383337.db2.gz LJTTXLGXRFTTQC-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005927 1313389847 /nfs/dbraw/zinc/38/98/47/1313389847.db2.gz FIPLMRAKVPCNBI-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555651 1313411934 /nfs/dbraw/zinc/41/19/34/1313411934.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555651 1313411936 /nfs/dbraw/zinc/41/19/36/1313411936.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555651 1313411938 /nfs/dbraw/zinc/41/19/38/1313411938.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206273897 1313429184 /nfs/dbraw/zinc/42/91/84/1313429184.db2.gz CTDMPEOLLMIJRR-LJQANCHMSA-N 2 1 339.499 2.603 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281599 1313431086 /nfs/dbraw/zinc/43/10/86/1313431086.db2.gz MXKSVLGYVZYXGI-GOSISDBHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281602 1313430581 /nfs/dbraw/zinc/43/05/81/1313430581.db2.gz MXKSVLGYVZYXGI-SFHVURJKSA-N 2 1 344.503 2.548 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012365 1313431201 /nfs/dbraw/zinc/43/12/01/1313431201.db2.gz JAEWEEJOFUIDIR-IRLDBZIGSA-N 2 1 332.447 2.672 20 30 EFEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012365 1313431204 /nfs/dbraw/zinc/43/12/04/1313431204.db2.gz JAEWEEJOFUIDIR-IRLDBZIGSA-N 2 1 332.447 2.672 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615574 1297843340 /nfs/dbraw/zinc/84/33/40/1297843340.db2.gz JMZCPLQXWAGLDI-LSDHHAIUSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615574 1297843343 /nfs/dbraw/zinc/84/33/43/1297843343.db2.gz JMZCPLQXWAGLDI-LSDHHAIUSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659698 1313460085 /nfs/dbraw/zinc/46/00/85/1313460085.db2.gz ZLTVHUXOQXNFNM-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017659698 1313460087 /nfs/dbraw/zinc/46/00/87/1313460087.db2.gz ZLTVHUXOQXNFNM-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017659698 1313460091 /nfs/dbraw/zinc/46/00/91/1313460091.db2.gz ZLTVHUXOQXNFNM-INDMIFKZSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659697 1313460361 /nfs/dbraw/zinc/46/03/61/1313460361.db2.gz ZLTVHUXOQXNFNM-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659697 1313460365 /nfs/dbraw/zinc/46/03/65/1313460365.db2.gz ZLTVHUXOQXNFNM-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659697 1313460369 /nfs/dbraw/zinc/46/03/69/1313460369.db2.gz ZLTVHUXOQXNFNM-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN(CC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1)C(=O)OCC ZINC001236285149 1313465544 /nfs/dbraw/zinc/46/55/44/1313465544.db2.gz BSGZCDQBZIZWNE-UHFFFAOYSA-N 2 1 345.487 2.885 20 30 EFEDMP C=CCN(CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1)C(=O)OCC ZINC001236285149 1313465547 /nfs/dbraw/zinc/46/55/47/1313465547.db2.gz BSGZCDQBZIZWNE-UHFFFAOYSA-N 2 1 345.487 2.885 20 30 EFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206474782 1313460635 /nfs/dbraw/zinc/46/06/35/1313460635.db2.gz KDDVWABIHRDOBY-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548490 1313474238 /nfs/dbraw/zinc/47/42/38/1313474238.db2.gz PXYXBUBGURWEMC-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689944 1313476140 /nfs/dbraw/zinc/47/61/40/1313476140.db2.gz UOKOPPSXNVPPBG-HDICACEKSA-N 2 1 338.455 2.898 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914088 1313476869 /nfs/dbraw/zinc/47/68/69/1313476869.db2.gz MGHCVGOXRRVIBJ-AQNXPRMDSA-N 2 1 341.499 2.931 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914088 1313476874 /nfs/dbraw/zinc/47/68/74/1313476874.db2.gz MGHCVGOXRRVIBJ-AQNXPRMDSA-N 2 1 341.499 2.931 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914905 1313477790 /nfs/dbraw/zinc/47/77/90/1313477790.db2.gz SCIDXUPNNZZGEL-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049915167 1313478486 /nfs/dbraw/zinc/47/84/86/1313478486.db2.gz TXOWJUUPLXXXRT-ZCNNSNEGSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCN(CC=C)CC[NH+]1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001236434250 1313480856 /nfs/dbraw/zinc/48/08/56/1313480856.db2.gz OLUITUJZGQGNCU-UHFFFAOYSA-N 2 1 348.579 2.590 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199453 1298302845 /nfs/dbraw/zinc/30/28/45/1298302845.db2.gz KJTIRDQKMQSPHZ-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCN(CC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236552386 1313491255 /nfs/dbraw/zinc/49/12/55/1313491255.db2.gz VMTJVQANYNDQEA-QAQDUYKDSA-N 2 1 325.497 2.859 20 30 EFEDMP N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001206683728 1313491320 /nfs/dbraw/zinc/49/13/20/1313491320.db2.gz LQMNNTDOZUYXFQ-UHFFFAOYSA-N 2 1 347.462 2.949 20 30 EFEDMP N#Cc1ccc2c(c1)CCN(Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001206683728 1313491323 /nfs/dbraw/zinc/49/13/23/1313491323.db2.gz LQMNNTDOZUYXFQ-UHFFFAOYSA-N 2 1 347.462 2.949 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214011 1298340146 /nfs/dbraw/zinc/34/01/46/1298340146.db2.gz RKORFEOHEYLJJQ-SJORKVTESA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222657 1298355241 /nfs/dbraw/zinc/35/52/41/1298355241.db2.gz SHNZJZYIHHHARF-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222660 1298356928 /nfs/dbraw/zinc/35/69/28/1298356928.db2.gz SHNZJZYIHHHARF-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234796 1298383081 /nfs/dbraw/zinc/38/30/81/1298383081.db2.gz XOYUEUVMZXMZNG-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242732 1298403331 /nfs/dbraw/zinc/40/33/31/1298403331.db2.gz VQZOAYKOVPKVPQ-SJORKVTESA-N 2 1 345.487 2.701 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259597 1298431369 /nfs/dbraw/zinc/43/13/69/1298431369.db2.gz ISFUWHYTDIBVRU-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268212 1298456535 /nfs/dbraw/zinc/45/65/35/1298456535.db2.gz FTJCWXQOQSLULY-RBUKOAKNSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289382 1298499851 /nfs/dbraw/zinc/49/98/51/1298499851.db2.gz YRFUFMZEHJYDGF-MOPGFXCFSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289384 1298500209 /nfs/dbraw/zinc/50/02/09/1298500209.db2.gz YRFUFMZEHJYDGF-OALUTQOASA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605146 1313509744 /nfs/dbraw/zinc/50/97/44/1313509744.db2.gz CMYHVEXXNHOXQI-NEWSRXKRSA-N 2 1 327.472 2.659 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292979 1298510135 /nfs/dbraw/zinc/51/01/35/1298510135.db2.gz LLJMWWGZDLAFFF-OALUTQOASA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961349470 1298594174 /nfs/dbraw/zinc/59/41/74/1298594174.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961349470 1298594185 /nfs/dbraw/zinc/59/41/85/1298594185.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961349470 1298594197 /nfs/dbraw/zinc/59/41/97/1298594197.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961402982 1298695709 /nfs/dbraw/zinc/69/57/09/1298695709.db2.gz STGQXICLOKJEDI-RTBURBONSA-N 2 1 335.536 2.709 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705829 /nfs/dbraw/zinc/70/58/29/1298705829.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705835 /nfs/dbraw/zinc/70/58/35/1298705835.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705840 /nfs/dbraw/zinc/70/58/40/1298705840.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961430975 1298735957 /nfs/dbraw/zinc/73/59/57/1298735957.db2.gz HANNXBFKOKFSQO-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431282 1298739585 /nfs/dbraw/zinc/73/95/85/1298739585.db2.gz JQNXXCHGKXKEEM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431282 1298739586 /nfs/dbraw/zinc/73/95/86/1298739586.db2.gz JQNXXCHGKXKEEM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431282 1298739589 /nfs/dbraw/zinc/73/95/89/1298739589.db2.gz JQNXXCHGKXKEEM-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961442459 1298754015 /nfs/dbraw/zinc/75/40/15/1298754015.db2.gz SWAGDEVFBUZFDJ-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442459 1298754023 /nfs/dbraw/zinc/75/40/23/1298754023.db2.gz SWAGDEVFBUZFDJ-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442459 1298754029 /nfs/dbraw/zinc/75/40/29/1298754029.db2.gz SWAGDEVFBUZFDJ-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961442503 1298755059 /nfs/dbraw/zinc/75/50/59/1298755059.db2.gz TWQQHWVZWIZCSA-LJQANCHMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961444064 1298756141 /nfs/dbraw/zinc/75/61/41/1298756141.db2.gz ZACFYQNJRSYBFX-FQEVSTJZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017858035 1313556450 /nfs/dbraw/zinc/55/64/50/1313556450.db2.gz XUNSTECSSHRFSP-CALCHBBNSA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017858035 1313556455 /nfs/dbraw/zinc/55/64/55/1313556455.db2.gz XUNSTECSSHRFSP-CALCHBBNSA-N 2 1 331.460 2.596 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)c(F)c2)CC1 ZINC001236938163 1313557142 /nfs/dbraw/zinc/55/71/42/1313557142.db2.gz KNKQUFWWYYQXRW-MRXNPFEDSA-N 2 1 330.451 2.703 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961563365 1298885291 /nfs/dbraw/zinc/88/52/91/1298885291.db2.gz CFJFGSPZOXQCBH-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961563365 1298885304 /nfs/dbraw/zinc/88/53/04/1298885304.db2.gz CFJFGSPZOXQCBH-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961563365 1298885311 /nfs/dbraw/zinc/88/53/11/1298885311.db2.gz CFJFGSPZOXQCBH-ZGXWSNOMSA-N 2 1 345.531 2.796 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1N1CCCCC1 ZINC000305810532 1299036996 /nfs/dbraw/zinc/03/69/96/1299036996.db2.gz LXYHFNVFGZJXRY-GOSISDBHSA-N 2 1 343.519 2.566 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000305813648 1299042486 /nfs/dbraw/zinc/04/24/86/1299042486.db2.gz KWXWHKLAXDSVSB-KRWDZBQOSA-N 2 1 330.476 2.631 20 30 EFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)cc1C#N ZINC001276513089 1313630115 /nfs/dbraw/zinc/63/01/15/1313630115.db2.gz HTLNCNWDGLUILH-UHFFFAOYSA-N 2 1 326.488 2.985 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630612 /nfs/dbraw/zinc/63/06/12/1313630612.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 2 1 326.488 2.841 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630613 /nfs/dbraw/zinc/63/06/13/1313630613.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 2 1 326.488 2.841 20 30 EFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630617 /nfs/dbraw/zinc/63/06/17/1313630617.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 2 1 326.488 2.841 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012277 1313641334 /nfs/dbraw/zinc/64/13/34/1313641334.db2.gz PEBJELJTVDVCTL-CALCHBBNSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012277 1313641338 /nfs/dbraw/zinc/64/13/38/1313641338.db2.gz PEBJELJTVDVCTL-CALCHBBNSA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064969 1313666962 /nfs/dbraw/zinc/66/69/62/1313666962.db2.gz MPRHBDHVKGNSQS-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064969 1313666964 /nfs/dbraw/zinc/66/69/64/1313666964.db2.gz MPRHBDHVKGNSQS-KDURUIRLSA-N 2 1 327.472 2.613 20 30 EFEDMP N#Cc1cccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)c1 ZINC001278127183 1313685345 /nfs/dbraw/zinc/68/53/45/1313685345.db2.gz MIPZUTRGUVSRIV-SFTDATJTSA-N 2 1 349.482 2.536 20 30 EFEDMP N#Cc1cccc(CCCN2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)c1 ZINC001278127183 1313685350 /nfs/dbraw/zinc/68/53/50/1313685350.db2.gz MIPZUTRGUVSRIV-SFTDATJTSA-N 2 1 349.482 2.536 20 30 EFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000776739498 1300554116 /nfs/dbraw/zinc/55/41/16/1300554116.db2.gz RTNWDRPXAMRZCS-RDTXWAMCSA-N 2 1 331.435 2.991 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000963309724 1300566594 /nfs/dbraw/zinc/56/65/94/1300566594.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309724 1300566605 /nfs/dbraw/zinc/56/66/05/1300566605.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000963309724 1300566612 /nfs/dbraw/zinc/56/66/12/1300566612.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315244 1300579706 /nfs/dbraw/zinc/57/97/06/1300579706.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315244 1300579710 /nfs/dbraw/zinc/57/97/10/1300579710.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315244 1300579723 /nfs/dbraw/zinc/57/97/23/1300579723.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327498 1300611066 /nfs/dbraw/zinc/61/10/66/1300611066.db2.gz CRBSDPPOWRAHKB-HKUYNNGSSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328043 1300611459 /nfs/dbraw/zinc/61/14/59/1300611459.db2.gz KZLDCJUZMBKDAU-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329494 1300616403 /nfs/dbraw/zinc/61/64/03/1300616403.db2.gz ZMUARLDFDQSAOS-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372339 1300717070 /nfs/dbraw/zinc/71/70/70/1300717070.db2.gz SDCWKNYQOFOTGC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372339 1300717074 /nfs/dbraw/zinc/71/70/74/1300717074.db2.gz SDCWKNYQOFOTGC-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413253 1300795785 /nfs/dbraw/zinc/79/57/85/1300795785.db2.gz CXVOHAUYKXUQLD-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429138 1300835912 /nfs/dbraw/zinc/83/59/12/1300835912.db2.gz OOINNFYIRYFHQA-PMACEKPBSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963471684 1300917498 /nfs/dbraw/zinc/91/74/98/1300917498.db2.gz NHUPNQWCSCYEBE-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963471684 1300917505 /nfs/dbraw/zinc/91/75/05/1300917505.db2.gz NHUPNQWCSCYEBE-MHJFOBGBSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104658 1313761099 /nfs/dbraw/zinc/76/10/99/1313761099.db2.gz NOQFAXBJIJKGRL-WOJBJXKFSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104658 1313761102 /nfs/dbraw/zinc/76/11/02/1313761102.db2.gz NOQFAXBJIJKGRL-WOJBJXKFSA-N 2 1 341.455 2.908 20 30 EFEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238103576 1313761134 /nfs/dbraw/zinc/76/11/34/1313761134.db2.gz MTNFVSIKUYZVEP-UHFFFAOYSA-N 2 1 340.427 2.555 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018306914 1313803849 /nfs/dbraw/zinc/80/38/49/1313803849.db2.gz URGMXIYFMHVPDR-HDICACEKSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018309975 1313805339 /nfs/dbraw/zinc/80/53/39/1313805339.db2.gz CLMLEHFNEKDCJH-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304479 1313802449 /nfs/dbraw/zinc/80/24/49/1313802449.db2.gz FTXVEJLFIPCCON-HDICACEKSA-N 2 1 327.472 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304479 1313802451 /nfs/dbraw/zinc/80/24/51/1313802451.db2.gz FTXVEJLFIPCCON-HDICACEKSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333387 1313817522 /nfs/dbraw/zinc/81/75/22/1313817522.db2.gz FLIJTLFNYLFYGW-CALCHBBNSA-N 2 1 345.487 2.986 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073237 1313840391 /nfs/dbraw/zinc/84/03/91/1313840391.db2.gz FTRJNTUYJXKPQG-IRXDYDNUSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208107016 1313848169 /nfs/dbraw/zinc/84/81/69/1313848169.db2.gz IUGYSTVSHYLFAM-FQEVSTJZSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192326 1313866249 /nfs/dbraw/zinc/86/62/49/1313866249.db2.gz ULYKYDMABHFRLE-AZUAARDMSA-N 2 1 336.520 2.935 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192328 1313866291 /nfs/dbraw/zinc/86/62/91/1313866291.db2.gz ULYKYDMABHFRLE-QUCCMNQESA-N 2 1 336.520 2.935 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424073 1303179736 /nfs/dbraw/zinc/17/97/36/1303179736.db2.gz GTKSSEOBBIESEE-BMTWLGCMSA-N 2 1 331.504 2.596 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334075 1313902392 /nfs/dbraw/zinc/90/23/92/1313902392.db2.gz FCTKKRYQHLLCLY-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218967 1313914786 /nfs/dbraw/zinc/91/47/86/1313914786.db2.gz NUNSUKANIWESRA-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218967 1313914788 /nfs/dbraw/zinc/91/47/88/1313914788.db2.gz NUNSUKANIWESRA-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218967 1313914791 /nfs/dbraw/zinc/91/47/91/1313914791.db2.gz NUNSUKANIWESRA-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515044 1313950180 /nfs/dbraw/zinc/95/01/80/1313950180.db2.gz CDFMWPPKONTCDI-KZNAEPCWSA-N 2 1 325.541 2.980 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485980 1304008807 /nfs/dbraw/zinc/00/88/07/1304008807.db2.gz BXTOSRYQXALKGF-ZBFHGGJFSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485980 1304008809 /nfs/dbraw/zinc/00/88/09/1304008809.db2.gz BXTOSRYQXALKGF-ZBFHGGJFSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576879 1313966726 /nfs/dbraw/zinc/96/67/26/1313966726.db2.gz RZDJIHCRFUBBKG-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423705 1304975133 /nfs/dbraw/zinc/97/51/33/1304975133.db2.gz IOJGVIGLURGRBD-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425221 1304978674 /nfs/dbraw/zinc/97/86/74/1304978674.db2.gz YOPMAZXWBFWMCE-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP N#Cc1cc(-c2cccc(CN3CCC([NH3+])CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240361040 1314025221 /nfs/dbraw/zinc/02/52/21/1314025221.db2.gz RGFOSUAXTGEOCA-UHFFFAOYSA-N 2 1 346.478 2.835 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1CC ZINC001037967485 1305438626 /nfs/dbraw/zinc/43/86/26/1305438626.db2.gz PXEWTWIPCYNJBY-KGLIPLIRSA-N 2 1 338.883 2.657 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851227 1314068472 /nfs/dbraw/zinc/06/84/72/1314068472.db2.gz OIVRGSINFHNGMR-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCN(CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(=O)OCC ZINC001209020288 1314071989 /nfs/dbraw/zinc/07/19/89/1314071989.db2.gz FXYCUHWZCAICCC-ROUUACIJSA-N 2 1 337.508 2.970 20 30 EFEDMP C=CCN(CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C(=O)OCC ZINC001209020288 1314071992 /nfs/dbraw/zinc/07/19/92/1314071992.db2.gz FXYCUHWZCAICCC-ROUUACIJSA-N 2 1 337.508 2.970 20 30 EFEDMP C=CCN(CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C(=O)OCC ZINC001209020288 1314071996 /nfs/dbraw/zinc/07/19/96/1314071996.db2.gz FXYCUHWZCAICCC-ROUUACIJSA-N 2 1 337.508 2.970 20 30 EFEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858193 1314426084 /nfs/dbraw/zinc/42/60/84/1314426084.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858193 1314426087 /nfs/dbraw/zinc/42/60/87/1314426087.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858193 1314426089 /nfs/dbraw/zinc/42/60/89/1314426089.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001246304292 1314608822 /nfs/dbraw/zinc/60/88/22/1314608822.db2.gz LWAORLFESQFLDI-HNNXBMFYSA-N 2 1 326.481 2.539 20 30 EFEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209203602 1314115383 /nfs/dbraw/zinc/11/53/83/1314115383.db2.gz QDZLNTWPZRRPOZ-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209203602 1314115385 /nfs/dbraw/zinc/11/53/85/1314115385.db2.gz QDZLNTWPZRRPOZ-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209203602 1314115389 /nfs/dbraw/zinc/11/53/89/1314115389.db2.gz QDZLNTWPZRRPOZ-WOJBJXKFSA-N 2 1 329.488 2.961 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552078 1306449026 /nfs/dbraw/zinc/44/90/26/1306449026.db2.gz BSIQRCBFUTZLRY-NVXWUHKLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968552078 1306449030 /nfs/dbraw/zinc/44/90/30/1306449030.db2.gz BSIQRCBFUTZLRY-NVXWUHKLSA-N 2 1 330.476 2.554 20 30 EFEDMP C#CCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001209263058 1314128358 /nfs/dbraw/zinc/12/83/58/1314128358.db2.gz GNAMJDSJOQURNL-HXUWFJFHSA-N 2 1 348.531 2.629 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673211 1306556473 /nfs/dbraw/zinc/55/64/73/1306556473.db2.gz JBIRCOYYJODGHV-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681889 1306564213 /nfs/dbraw/zinc/56/42/13/1306564213.db2.gz MIDFBNBDVXUIJP-FXAWDEMLSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687433 1306567700 /nfs/dbraw/zinc/56/77/00/1306567700.db2.gz AZEALYXZKSTFRU-FUHWJXTLSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687433 1306567702 /nfs/dbraw/zinc/56/77/02/1306567702.db2.gz AZEALYXZKSTFRU-FUHWJXTLSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690894 1306571312 /nfs/dbraw/zinc/57/13/12/1306571312.db2.gz BKGDHHLZWVREMA-DOTOQJQBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882308 1306753582 /nfs/dbraw/zinc/75/35/82/1306753582.db2.gz LJBGKCRBCPIQAJ-DLBZAZTESA-N 2 1 341.927 2.974 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887355 1306760656 /nfs/dbraw/zinc/76/06/56/1306760656.db2.gz BRGSMCSTHOWAFG-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887355 1306760662 /nfs/dbraw/zinc/76/06/62/1306760662.db2.gz BRGSMCSTHOWAFG-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887355 1306760667 /nfs/dbraw/zinc/76/06/67/1306760667.db2.gz BRGSMCSTHOWAFG-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888641 1306761751 /nfs/dbraw/zinc/76/17/51/1306761751.db2.gz XMNVSSOUKXRMDC-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888641 1306761756 /nfs/dbraw/zinc/76/17/56/1306761756.db2.gz XMNVSSOUKXRMDC-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888641 1306761760 /nfs/dbraw/zinc/76/17/60/1306761760.db2.gz XMNVSSOUKXRMDC-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888024 1306762475 /nfs/dbraw/zinc/76/24/75/1306762475.db2.gz PRXKSTSWWGNMCK-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888024 1306762482 /nfs/dbraw/zinc/76/24/82/1306762482.db2.gz PRXKSTSWWGNMCK-DLBZAZTESA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888638 1306762562 /nfs/dbraw/zinc/76/25/62/1306762562.db2.gz XMNVSSOUKXRMDC-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888638 1306762568 /nfs/dbraw/zinc/76/25/68/1306762568.db2.gz XMNVSSOUKXRMDC-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888638 1306762575 /nfs/dbraw/zinc/76/25/75/1306762575.db2.gz XMNVSSOUKXRMDC-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913209 1306787739 /nfs/dbraw/zinc/78/77/39/1306787739.db2.gz CUYFCRGGTZUJRJ-GOSISDBHSA-N 2 1 333.520 2.799 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926050 1306804310 /nfs/dbraw/zinc/80/43/10/1306804310.db2.gz SYDJQMLWKKUQSW-QGZVFWFLSA-N 2 1 338.455 2.640 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001803 1306877144 /nfs/dbraw/zinc/87/71/44/1306877144.db2.gz FOAHHWHVQRISLI-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001803 1306877150 /nfs/dbraw/zinc/87/71/50/1306877150.db2.gz FOAHHWHVQRISLI-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025296 1306904557 /nfs/dbraw/zinc/90/45/57/1306904557.db2.gz MZTYFJNZLUIWOU-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058814 1306931547 /nfs/dbraw/zinc/93/15/47/1306931547.db2.gz AHIXHADOOGRINL-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969058814 1306931549 /nfs/dbraw/zinc/93/15/49/1306931549.db2.gz AHIXHADOOGRINL-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969058814 1306931556 /nfs/dbraw/zinc/93/15/56/1306931556.db2.gz AHIXHADOOGRINL-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059389 1306933415 /nfs/dbraw/zinc/93/34/15/1306933415.db2.gz LQOWQXMCEXHXAR-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059389 1306933424 /nfs/dbraw/zinc/93/34/24/1306933424.db2.gz LQOWQXMCEXHXAR-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059389 1306933426 /nfs/dbraw/zinc/93/34/26/1306933426.db2.gz LQOWQXMCEXHXAR-RTBURBONSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073091 1306947441 /nfs/dbraw/zinc/94/74/41/1306947441.db2.gz WNWSXKQATGLNLG-HXUWFJFHSA-N 2 1 341.499 2.746 20 30 EFEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441437 1307340774 /nfs/dbraw/zinc/34/07/74/1307340774.db2.gz FXQNNGMMZCPKPO-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345493 1307381879 /nfs/dbraw/zinc/38/18/79/1307381879.db2.gz RHLAACIBGDFQMS-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007345493 1307381884 /nfs/dbraw/zinc/38/18/84/1307381884.db2.gz RHLAACIBGDFQMS-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007345493 1307381890 /nfs/dbraw/zinc/38/18/90/1307381890.db2.gz RHLAACIBGDFQMS-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498187 1307472129 /nfs/dbraw/zinc/47/21/29/1307472129.db2.gz ISUVXRXRKJFELU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498187 1307472131 /nfs/dbraw/zinc/47/21/31/1307472131.db2.gz ISUVXRXRKJFELU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498187 1307472134 /nfs/dbraw/zinc/47/21/34/1307472134.db2.gz ISUVXRXRKJFELU-HKUYNNGSSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705474 1314203660 /nfs/dbraw/zinc/20/36/60/1314203660.db2.gz NRCLJXGCIVSOCF-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705474 1314203664 /nfs/dbraw/zinc/20/36/64/1314203664.db2.gz NRCLJXGCIVSOCF-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705474 1314203668 /nfs/dbraw/zinc/20/36/68/1314203668.db2.gz NRCLJXGCIVSOCF-ZRNYENFQSA-N 2 1 343.515 2.528 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921971 1307900139 /nfs/dbraw/zinc/90/01/39/1307900139.db2.gz WMAXWZYIPCIGAA-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921971 1307900140 /nfs/dbraw/zinc/90/01/40/1307900140.db2.gz WMAXWZYIPCIGAA-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921971 1307900143 /nfs/dbraw/zinc/90/01/43/1307900143.db2.gz WMAXWZYIPCIGAA-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921972 1307900190 /nfs/dbraw/zinc/90/01/90/1307900190.db2.gz WMAXWZYIPCIGAA-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921972 1307900193 /nfs/dbraw/zinc/90/01/93/1307900193.db2.gz WMAXWZYIPCIGAA-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921972 1307900196 /nfs/dbraw/zinc/90/01/96/1307900196.db2.gz WMAXWZYIPCIGAA-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938278 1307940902 /nfs/dbraw/zinc/94/09/02/1307940902.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938278 1307940906 /nfs/dbraw/zinc/94/09/06/1307940906.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938278 1307940912 /nfs/dbraw/zinc/94/09/12/1307940912.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938629 1307941329 /nfs/dbraw/zinc/94/13/29/1307941329.db2.gz HCHMRCXRISMXGP-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938629 1307941333 /nfs/dbraw/zinc/94/13/33/1307941333.db2.gz HCHMRCXRISMXGP-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938629 1307941337 /nfs/dbraw/zinc/94/13/37/1307941337.db2.gz HCHMRCXRISMXGP-ZVDOUQERSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939128 1307942660 /nfs/dbraw/zinc/94/26/60/1307942660.db2.gz WDWBIVBDRJJGEJ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939128 1307942665 /nfs/dbraw/zinc/94/26/65/1307942665.db2.gz WDWBIVBDRJJGEJ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939128 1307942669 /nfs/dbraw/zinc/94/26/69/1307942669.db2.gz WDWBIVBDRJJGEJ-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273788 1307951389 /nfs/dbraw/zinc/95/13/89/1307951389.db2.gz AJOKHYFCYJHKHE-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273788 1307951394 /nfs/dbraw/zinc/95/13/94/1307951394.db2.gz AJOKHYFCYJHKHE-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273788 1307951400 /nfs/dbraw/zinc/95/14/00/1307951400.db2.gz AJOKHYFCYJHKHE-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045941898 1307951564 /nfs/dbraw/zinc/95/15/64/1307951564.db2.gz OMNYTJSUGPCDDM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941898 1307951567 /nfs/dbraw/zinc/95/15/67/1307951567.db2.gz OMNYTJSUGPCDDM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941898 1307951571 /nfs/dbraw/zinc/95/15/71/1307951571.db2.gz OMNYTJSUGPCDDM-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273786 1307951656 /nfs/dbraw/zinc/95/16/56/1307951656.db2.gz AJOKHYFCYJHKHE-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273786 1307951661 /nfs/dbraw/zinc/95/16/61/1307951661.db2.gz AJOKHYFCYJHKHE-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273786 1307951662 /nfs/dbraw/zinc/95/16/62/1307951662.db2.gz AJOKHYFCYJHKHE-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942567 1307954208 /nfs/dbraw/zinc/95/42/08/1307954208.db2.gz UQCHSQUAIMKCPA-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947484 1307970157 /nfs/dbraw/zinc/97/01/57/1307970157.db2.gz LZNQKCVLFRXNJA-AEFFLSMTSA-N 2 1 341.927 2.784 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1ccnc1)C2 ZINC001045958361 1307998961 /nfs/dbraw/zinc/99/89/61/1307998961.db2.gz QUXROTPIAGHXAM-IBGZPJMESA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045960317 1308004505 /nfs/dbraw/zinc/00/45/05/1308004505.db2.gz CLTAUNIHWRWIQD-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960317 1308004511 /nfs/dbraw/zinc/00/45/11/1308004511.db2.gz CLTAUNIHWRWIQD-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960317 1308004515 /nfs/dbraw/zinc/00/45/15/1308004515.db2.gz CLTAUNIHWRWIQD-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965954 1308021015 /nfs/dbraw/zinc/02/10/15/1308021015.db2.gz NMBLZEHAPQCCHA-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965954 1308021021 /nfs/dbraw/zinc/02/10/21/1308021021.db2.gz NMBLZEHAPQCCHA-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965954 1308021027 /nfs/dbraw/zinc/02/10/27/1308021027.db2.gz NMBLZEHAPQCCHA-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976121 1308050738 /nfs/dbraw/zinc/05/07/38/1308050738.db2.gz RCINDEDDGZMPLF-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985760 1308085676 /nfs/dbraw/zinc/08/56/76/1308085676.db2.gz BRODTHCDYKBJMG-OAQYLSRUSA-N 2 1 345.531 2.590 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986537 1308088442 /nfs/dbraw/zinc/08/84/42/1308088442.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986537 1308088449 /nfs/dbraw/zinc/08/84/49/1308088449.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986537 1308088456 /nfs/dbraw/zinc/08/84/56/1308088456.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319510 1308536696 /nfs/dbraw/zinc/53/66/96/1308536696.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319510 1308536699 /nfs/dbraw/zinc/53/66/99/1308536699.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319510 1308536703 /nfs/dbraw/zinc/53/67/03/1308536703.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP N#Cc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001210267573 1314306498 /nfs/dbraw/zinc/30/64/98/1314306498.db2.gz JUMYZLGAANGPQC-UHFFFAOYSA-N 2 1 331.782 2.899 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708922 1314315418 /nfs/dbraw/zinc/31/54/18/1314315418.db2.gz HSWXBOOGAJHNRS-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046934280 1309711395 /nfs/dbraw/zinc/71/13/95/1309711395.db2.gz AAPKGUNOCGKUCY-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046934280 1309711397 /nfs/dbraw/zinc/71/13/97/1309711397.db2.gz AAPKGUNOCGKUCY-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046934280 1309711400 /nfs/dbraw/zinc/71/14/00/1309711400.db2.gz AAPKGUNOCGKUCY-CVEARBPZSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046938102 1309718294 /nfs/dbraw/zinc/71/82/94/1309718294.db2.gz OKYXADSFBCYTSE-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046938102 1309718300 /nfs/dbraw/zinc/71/83/00/1309718300.db2.gz OKYXADSFBCYTSE-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046938102 1309718304 /nfs/dbraw/zinc/71/83/04/1309718304.db2.gz OKYXADSFBCYTSE-HZPDHXFCSA-N 2 1 343.462 2.509 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953909 1309758063 /nfs/dbraw/zinc/75/80/63/1309758063.db2.gz MEHTXAORONBLBO-HNNXBMFYSA-N 2 1 348.397 2.597 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758543 1314354120 /nfs/dbraw/zinc/35/41/20/1314354120.db2.gz WRWZNXIFGXJGKP-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758543 1314354122 /nfs/dbraw/zinc/35/41/22/1314354122.db2.gz WRWZNXIFGXJGKP-KRWDZBQOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047242062 1310393269 /nfs/dbraw/zinc/39/32/69/1310393269.db2.gz QVHZACLSQVXXAR-YZGWKJHDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047244678 1310401791 /nfs/dbraw/zinc/40/17/91/1310401791.db2.gz UMTJUFJXUHGOHS-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047249137 1310413568 /nfs/dbraw/zinc/41/35/68/1310413568.db2.gz RYGFYSSUGFVPFY-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001276689436 1314385777 /nfs/dbraw/zinc/38/57/77/1314385777.db2.gz CZMYPHDJWBZTHY-OKYOBFRVSA-N 2 1 335.536 2.735 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265100 1310456406 /nfs/dbraw/zinc/45/64/06/1310456406.db2.gz PRBFAFWCIFMWHX-LJQANCHMSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176499 1310494965 /nfs/dbraw/zinc/49/49/65/1310494965.db2.gz YVUBJYKSRQVXKT-QYZOEREBSA-N 2 1 327.472 2.659 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712715 1311017409 /nfs/dbraw/zinc/01/74/09/1311017409.db2.gz MQVLSGGPRIPNMF-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848755 1311042455 /nfs/dbraw/zinc/04/24/55/1311042455.db2.gz FKYRPEQXSJXUJK-BHIYHBOVSA-N 2 1 333.520 2.606 20 30 EFEDMP C(#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1)c1ccccc1 ZINC001222090974 1311082665 /nfs/dbraw/zinc/08/26/65/1311082665.db2.gz LLHDMQHATPJDKV-UHFFFAOYSA-N 2 1 345.490 2.614 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526663 1311100647 /nfs/dbraw/zinc/10/06/47/1311100647.db2.gz AAFBRQIPCHMZDN-YRPNKDGESA-N 2 1 347.547 2.853 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443091 1311132650 /nfs/dbraw/zinc/13/26/50/1311132650.db2.gz QXSAKJZUBKCJTR-QRVBRYPASA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443091 1311132651 /nfs/dbraw/zinc/13/26/51/1311132651.db2.gz QXSAKJZUBKCJTR-QRVBRYPASA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443091 1311132653 /nfs/dbraw/zinc/13/26/53/1311132653.db2.gz QXSAKJZUBKCJTR-QRVBRYPASA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001222877641 1311193885 /nfs/dbraw/zinc/19/38/85/1311193885.db2.gz YPOJOKOKDPYWFI-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001222877641 1311193887 /nfs/dbraw/zinc/19/38/87/1311193887.db2.gz YPOJOKOKDPYWFI-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001222877641 1311193890 /nfs/dbraw/zinc/19/38/90/1311193890.db2.gz YPOJOKOKDPYWFI-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCC)[C@H]2C1 ZINC001222913636 1311198585 /nfs/dbraw/zinc/19/85/85/1311198585.db2.gz SZHMOLMVQVIVLP-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCC)[C@H]2C1 ZINC001222913636 1311198587 /nfs/dbraw/zinc/19/85/87/1311198587.db2.gz SZHMOLMVQVIVLP-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCCC)[C@H]2C1 ZINC001222913636 1311198588 /nfs/dbraw/zinc/19/85/88/1311198588.db2.gz SZHMOLMVQVIVLP-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCCC)[C@H]2C1 ZINC001222913636 1311198590 /nfs/dbraw/zinc/19/85/90/1311198590.db2.gz SZHMOLMVQVIVLP-AABGKKOBSA-N 2 1 345.531 2.587 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276856835 1311209872 /nfs/dbraw/zinc/20/98/72/1311209872.db2.gz KKQNOUXRTPHJLT-UHFFFAOYSA-N 2 1 335.455 2.688 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312669 1311232190 /nfs/dbraw/zinc/23/21/90/1311232190.db2.gz FKQDGRTZUBUHCQ-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312669 1311232194 /nfs/dbraw/zinc/23/21/94/1311232194.db2.gz FKQDGRTZUBUHCQ-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312669 1311232197 /nfs/dbraw/zinc/23/21/97/1311232197.db2.gz FKQDGRTZUBUHCQ-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258958 1311233853 /nfs/dbraw/zinc/23/38/53/1311233853.db2.gz KUILMJPRCZUJOM-MRXNPFEDSA-N 2 1 332.492 2.801 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461476 1311244104 /nfs/dbraw/zinc/24/41/04/1311244104.db2.gz DNAHEUKREDRHQU-QUCCMNQESA-N 2 1 346.519 2.942 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461476 1311244107 /nfs/dbraw/zinc/24/41/07/1311244107.db2.gz DNAHEUKREDRHQU-QUCCMNQESA-N 2 1 346.519 2.942 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC(C)C)CC1 ZINC001101549075 1311248814 /nfs/dbraw/zinc/24/88/14/1311248814.db2.gz ZOKAVFFCZOUIDR-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC(C)C)CC1 ZINC001101549075 1311248816 /nfs/dbraw/zinc/24/88/16/1311248816.db2.gz ZOKAVFFCZOUIDR-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001223464718 1311263500 /nfs/dbraw/zinc/26/35/00/1311263500.db2.gz ASDLPXGRJJSCKA-FUHWJXTLSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001223464707 1311263682 /nfs/dbraw/zinc/26/36/82/1311263682.db2.gz ASDLPXGRJJSCKA-AEFFLSMTSA-N 2 1 344.503 2.943 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001223495607 1311268512 /nfs/dbraw/zinc/26/85/12/1311268512.db2.gz TWONBNLXMAKSEK-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001223495607 1311268516 /nfs/dbraw/zinc/26/85/16/1311268516.db2.gz TWONBNLXMAKSEK-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505503 1311270039 /nfs/dbraw/zinc/27/00/39/1311270039.db2.gz FWLQAHFEQXFCLS-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505503 1311270040 /nfs/dbraw/zinc/27/00/40/1311270040.db2.gz FWLQAHFEQXFCLS-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505503 1311270043 /nfs/dbraw/zinc/27/00/43/1311270043.db2.gz FWLQAHFEQXFCLS-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512415 1311270558 /nfs/dbraw/zinc/27/05/58/1311270558.db2.gz HGBPTEYTUNGNQA-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512415 1311270561 /nfs/dbraw/zinc/27/05/61/1311270561.db2.gz HGBPTEYTUNGNQA-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512415 1311270565 /nfs/dbraw/zinc/27/05/65/1311270565.db2.gz HGBPTEYTUNGNQA-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512415 1311270568 /nfs/dbraw/zinc/27/05/68/1311270568.db2.gz HGBPTEYTUNGNQA-CVEARBPZSA-N 2 1 341.927 2.640 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976159 1311271272 /nfs/dbraw/zinc/27/12/72/1311271272.db2.gz LVMILRQFQLBQHQ-RLLQIKCJSA-N 2 1 347.547 2.759 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079187 1311278585 /nfs/dbraw/zinc/27/85/85/1311278585.db2.gz YZLKAASWVYTMEF-GUDVDZBRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102152089 1311288015 /nfs/dbraw/zinc/28/80/15/1311288015.db2.gz RCYZYXAWTOYDSX-NVXWUHKLSA-N 2 1 326.444 2.598 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001223661194 1311288373 /nfs/dbraw/zinc/28/83/73/1311288373.db2.gz MOCNYKFJSBTGPD-KRWDZBQOSA-N 2 1 344.503 2.617 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001223687856 1311292133 /nfs/dbraw/zinc/29/21/33/1311292133.db2.gz VBGMFNMEKUUKKZ-HNNXBMFYSA-N 2 1 348.491 2.533 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190181 1311293531 /nfs/dbraw/zinc/29/35/31/1311293531.db2.gz VNVBWYIEZGELII-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190181 1311293533 /nfs/dbraw/zinc/29/35/33/1311293533.db2.gz VNVBWYIEZGELII-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190181 1311293535 /nfs/dbraw/zinc/29/35/35/1311293535.db2.gz VNVBWYIEZGELII-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnccc3N(C)C)C[C@@H]21 ZINC001223923153 1311322041 /nfs/dbraw/zinc/32/20/41/1311322041.db2.gz SBDARBMZWHXDMX-APWZRJJASA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223923153 1311322042 /nfs/dbraw/zinc/32/20/42/1311322042.db2.gz SBDARBMZWHXDMX-APWZRJJASA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223923153 1311322044 /nfs/dbraw/zinc/32/20/44/1311322044.db2.gz SBDARBMZWHXDMX-APWZRJJASA-N 2 1 342.487 2.650 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC/C=C\CC)C[C@H]1C ZINC001103099349 1311344056 /nfs/dbraw/zinc/34/40/56/1311344056.db2.gz LVSXNPQWLZQNHQ-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001103099349 1311344059 /nfs/dbraw/zinc/34/40/59/1311344059.db2.gz LVSXNPQWLZQNHQ-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001103099349 1311344063 /nfs/dbraw/zinc/34/40/63/1311344063.db2.gz LVSXNPQWLZQNHQ-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001103099349 1311344066 /nfs/dbraw/zinc/34/40/66/1311344066.db2.gz LVSXNPQWLZQNHQ-VJQBDMSCSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222216 1311362645 /nfs/dbraw/zinc/36/26/45/1311362645.db2.gz IGOOVATXEIJQAS-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222216 1311362648 /nfs/dbraw/zinc/36/26/48/1311362648.db2.gz IGOOVATXEIJQAS-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546288 1311405614 /nfs/dbraw/zinc/40/56/14/1311405614.db2.gz JCIMQHZYXFKHHQ-IEBWSBKVSA-N 2 1 335.536 2.759 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)C[C@@H](C)CC)CC1 ZINC001158914686 1311415777 /nfs/dbraw/zinc/41/57/77/1311415777.db2.gz RZUBEZVVLMKBLW-AZUAARDMSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224711952 1311425884 /nfs/dbraw/zinc/42/58/84/1311425884.db2.gz GFEIGMOVTGNYAI-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224855594 1311442923 /nfs/dbraw/zinc/44/29/23/1311442923.db2.gz QEEBCEZNGLOQIY-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001277006827 1311450529 /nfs/dbraw/zinc/45/05/29/1311450529.db2.gz GAKZOTDAKALMSH-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001277006827 1311450531 /nfs/dbraw/zinc/45/05/31/1311450531.db2.gz GAKZOTDAKALMSH-HXUWFJFHSA-N 2 1 344.478 2.547 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143324 1311482149 /nfs/dbraw/zinc/48/21/49/1311482149.db2.gz XHKAEWWUMPYNQQ-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578121 1311546803 /nfs/dbraw/zinc/54/68/03/1311546803.db2.gz PTEAKUDFEWKBEE-QGZVFWFLSA-N 2 1 341.927 2.688 20 30 EFEDMP Cc1cc(N2CCCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)C2)cc[nH+]1 ZINC001277064857 1311565509 /nfs/dbraw/zinc/56/55/09/1311565509.db2.gz QINSGROGYADLRW-UHFFFAOYSA-N 2 1 335.455 2.703 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226323872 1311648551 /nfs/dbraw/zinc/64/85/51/1311648551.db2.gz UXVVCJBJOYHDOD-BRWVUGGUSA-N 2 1 332.492 2.990 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126073 1311648646 /nfs/dbraw/zinc/64/86/46/1311648646.db2.gz SPBNYRBTDGQEIO-UHFFFAOYSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131019 1311650376 /nfs/dbraw/zinc/65/03/76/1311650376.db2.gz CYCPGXBQSYDKGN-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131019 1311650379 /nfs/dbraw/zinc/65/03/79/1311650379.db2.gz CYCPGXBQSYDKGN-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131019 1311650381 /nfs/dbraw/zinc/65/03/81/1311650381.db2.gz CYCPGXBQSYDKGN-PMACEKPBSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131323 1311650749 /nfs/dbraw/zinc/65/07/49/1311650749.db2.gz LKRGGRWZUFFKKY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131323 1311650753 /nfs/dbraw/zinc/65/07/53/1311650753.db2.gz LKRGGRWZUFFKKY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131323 1311650757 /nfs/dbraw/zinc/65/07/57/1311650757.db2.gz LKRGGRWZUFFKKY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131020 1311650931 /nfs/dbraw/zinc/65/09/31/1311650931.db2.gz CYCPGXBQSYDKGN-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131020 1311650933 /nfs/dbraw/zinc/65/09/33/1311650933.db2.gz CYCPGXBQSYDKGN-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131020 1311650934 /nfs/dbraw/zinc/65/09/34/1311650934.db2.gz CYCPGXBQSYDKGN-UXHICEINSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653710 /nfs/dbraw/zinc/65/37/10/1311653710.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653712 /nfs/dbraw/zinc/65/37/12/1311653712.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653714 /nfs/dbraw/zinc/65/37/14/1311653714.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 2 1 345.531 2.965 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160293405 1311682369 /nfs/dbraw/zinc/68/23/69/1311682369.db2.gz WSVPMLBNAPKHGU-MRXNPFEDSA-N 2 1 345.890 2.557 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160293405 1311682365 /nfs/dbraw/zinc/68/23/65/1311682365.db2.gz WSVPMLBNAPKHGU-MRXNPFEDSA-N 2 1 345.890 2.557 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360347 1311697343 /nfs/dbraw/zinc/69/73/43/1311697343.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360347 1311697345 /nfs/dbraw/zinc/69/73/45/1311697345.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360347 1311697347 /nfs/dbraw/zinc/69/73/47/1311697347.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC/C=C/CC)CC1 ZINC001160386359 1311701261 /nfs/dbraw/zinc/70/12/61/1311701261.db2.gz VITMYUUUHVLTQQ-XJDXJNMNSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC/C=C/CC)CC1 ZINC001160386359 1311701265 /nfs/dbraw/zinc/70/12/65/1311701265.db2.gz VITMYUUUHVLTQQ-XJDXJNMNSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC/C=C/CC)CC1 ZINC001160386359 1311701266 /nfs/dbraw/zinc/70/12/66/1311701266.db2.gz VITMYUUUHVLTQQ-XJDXJNMNSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC/C=C/CC)CC1 ZINC001160386359 1311701270 /nfs/dbraw/zinc/70/12/70/1311701270.db2.gz VITMYUUUHVLTQQ-XJDXJNMNSA-N 2 1 343.515 2.579 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCCCC)CC1 ZINC001160386215 1311701361 /nfs/dbraw/zinc/70/13/61/1311701361.db2.gz NGXSQFBAXUZCRG-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCCCC)CC1 ZINC001160386215 1311701364 /nfs/dbraw/zinc/70/13/64/1311701364.db2.gz NGXSQFBAXUZCRG-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCCC)CC1 ZINC001160386215 1311701367 /nfs/dbraw/zinc/70/13/67/1311701367.db2.gz NGXSQFBAXUZCRG-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCCC)CC1 ZINC001160386215 1311701369 /nfs/dbraw/zinc/70/13/69/1311701369.db2.gz NGXSQFBAXUZCRG-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277152018 1311715926 /nfs/dbraw/zinc/71/59/26/1311715926.db2.gz OVPXWOOAOIQWSE-AZUAARDMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466071 1311716003 /nfs/dbraw/zinc/71/60/03/1311716003.db2.gz AHXCISOIPXHZSL-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160466071 1311716006 /nfs/dbraw/zinc/71/60/06/1311716006.db2.gz AHXCISOIPXHZSL-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160466071 1311716009 /nfs/dbraw/zinc/71/60/09/1311716009.db2.gz AHXCISOIPXHZSL-RBUKOAKNSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277152513 1311716790 /nfs/dbraw/zinc/71/67/90/1311716790.db2.gz RHKFLJUAELHNOO-UYAOXDASSA-N 2 1 335.536 2.855 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226766751 1311720237 /nfs/dbraw/zinc/72/02/37/1311720237.db2.gz PBPXYXFEMNPPDS-IPMKNSEASA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773164 1311721143 /nfs/dbraw/zinc/72/11/43/1311721143.db2.gz DIYZKKSRUGJKIF-ZACQAIPSSA-N 2 1 330.476 2.744 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567893 1311739448 /nfs/dbraw/zinc/73/94/48/1311739448.db2.gz OYTPWYWZVSBHFM-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567893 1311739451 /nfs/dbraw/zinc/73/94/51/1311739451.db2.gz OYTPWYWZVSBHFM-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567893 1311739452 /nfs/dbraw/zinc/73/94/52/1311739452.db2.gz OYTPWYWZVSBHFM-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592847 1311742992 /nfs/dbraw/zinc/74/29/92/1311742992.db2.gz FVSWVKROUHTGFL-UHFFFAOYSA-N 2 1 337.895 2.506 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592847 1311742996 /nfs/dbraw/zinc/74/29/96/1311742996.db2.gz FVSWVKROUHTGFL-UHFFFAOYSA-N 2 1 337.895 2.506 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211964 1311776932 /nfs/dbraw/zinc/77/69/32/1311776932.db2.gz LQXKRMHJDUILOB-DJIMGWMZSA-N 2 1 348.491 2.722 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778422 1311779441 /nfs/dbraw/zinc/77/94/41/1311779441.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778422 1311779444 /nfs/dbraw/zinc/77/94/44/1311779444.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160778422 1311779447 /nfs/dbraw/zinc/77/94/47/1311779447.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787437 1311781407 /nfs/dbraw/zinc/78/14/07/1311781407.db2.gz NUUJUAMCRGDYMD-HXUWFJFHSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464628 1311809001 /nfs/dbraw/zinc/80/90/01/1311809001.db2.gz OHCQZGBZYFXTGW-MRXNPFEDSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001160957660 1311821349 /nfs/dbraw/zinc/82/13/49/1311821349.db2.gz OGIOHFRRRDQITR-KRWDZBQOSA-N 2 1 330.476 2.522 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525172 1311861242 /nfs/dbraw/zinc/86/12/42/1311861242.db2.gz NYNGTUIXYXCSMN-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525172 1311861245 /nfs/dbraw/zinc/86/12/45/1311861245.db2.gz NYNGTUIXYXCSMN-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525172 1311861250 /nfs/dbraw/zinc/86/12/50/1311861250.db2.gz NYNGTUIXYXCSMN-LTFPLMDUSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532248 1311870985 /nfs/dbraw/zinc/87/09/85/1311870985.db2.gz WYJWAQAPIIIGRG-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532248 1311870987 /nfs/dbraw/zinc/87/09/87/1311870987.db2.gz WYJWAQAPIIIGRG-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532248 1311870991 /nfs/dbraw/zinc/87/09/91/1311870991.db2.gz WYJWAQAPIIIGRG-OKYOBFRVSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538258 1311878989 /nfs/dbraw/zinc/87/89/89/1311878989.db2.gz NQSJWLYELITCBF-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538258 1311878993 /nfs/dbraw/zinc/87/89/93/1311878993.db2.gz NQSJWLYELITCBF-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538258 1311878997 /nfs/dbraw/zinc/87/89/97/1311878997.db2.gz NQSJWLYELITCBF-FQBWVUSXSA-N 2 1 331.504 2.549 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543332 1311885445 /nfs/dbraw/zinc/88/54/45/1311885445.db2.gz TWYJPJDECLRGDT-REPLKXPHSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556863 1311901565 /nfs/dbraw/zinc/90/15/65/1311901565.db2.gz WTHKALBIEACTQA-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556863 1311901568 /nfs/dbraw/zinc/90/15/68/1311901568.db2.gz WTHKALBIEACTQA-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556863 1311901571 /nfs/dbraw/zinc/90/15/71/1311901571.db2.gz WTHKALBIEACTQA-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161689162 1311952301 /nfs/dbraw/zinc/95/23/01/1311952301.db2.gz XRMDDFAQGOSKQO-NRFANRHFSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001228603130 1311968858 /nfs/dbraw/zinc/96/88/58/1311968858.db2.gz NTRCHHBTGPLAQH-BHIYHBOVSA-N 2 1 344.503 2.737 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930770 1312006006 /nfs/dbraw/zinc/00/60/06/1312006006.db2.gz ISBORGOJLVLGPS-UHFFFAOYSA-N 2 1 339.483 2.524 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930601 1312006135 /nfs/dbraw/zinc/00/61/35/1312006135.db2.gz CSFBYIVWLZUVQS-UHFFFAOYSA-N 2 1 339.911 2.753 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930601 1312006139 /nfs/dbraw/zinc/00/61/39/1312006139.db2.gz CSFBYIVWLZUVQS-UHFFFAOYSA-N 2 1 339.911 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932102 1312006605 /nfs/dbraw/zinc/00/66/05/1312006605.db2.gz RDTFDSMWCSYSDR-UHFFFAOYSA-N 2 1 333.520 2.967 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161932014 1312006641 /nfs/dbraw/zinc/00/66/41/1312006641.db2.gz PGCWQQPZNZMOCW-UHFFFAOYSA-N 2 1 327.472 2.686 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC(C)C)CC2)CC1 ZINC001161946799 1312011050 /nfs/dbraw/zinc/01/10/50/1312011050.db2.gz DXPRKUJPKHXALE-UHFFFAOYSA-N 2 1 345.531 2.516 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952369 1312012312 /nfs/dbraw/zinc/01/23/12/1312012312.db2.gz HHLIGHHAULLJKE-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001161986285 1312021797 /nfs/dbraw/zinc/02/17/97/1312021797.db2.gz AAGCHSWOWMYEEO-UHFFFAOYSA-N 2 1 343.471 2.507 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229616357 1312119940 /nfs/dbraw/zinc/11/99/40/1312119940.db2.gz JHYVBDNIYUUTQS-INIZCTEOSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017542 1312172108 /nfs/dbraw/zinc/17/21/08/1312172108.db2.gz ZXXYLQNASJIHOI-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957755 1312211106 /nfs/dbraw/zinc/21/11/06/1312211106.db2.gz BPBLTLRUJLVDDW-OAHLLOKOSA-N 2 1 341.459 2.578 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987070 1312219641 /nfs/dbraw/zinc/21/96/41/1312219641.db2.gz IGORPJMYXDHRHP-UHFFFAOYSA-N 2 1 331.504 2.565 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230537376 1312259843 /nfs/dbraw/zinc/25/98/43/1312259843.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537376 1312259845 /nfs/dbraw/zinc/25/98/45/1312259845.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537376 1312259847 /nfs/dbraw/zinc/25/98/47/1312259847.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230537379 1312260122 /nfs/dbraw/zinc/26/01/22/1312260122.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537379 1312260125 /nfs/dbraw/zinc/26/01/25/1312260125.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537379 1312260129 /nfs/dbraw/zinc/26/01/29/1312260129.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001230572856 1312269000 /nfs/dbraw/zinc/26/90/00/1312269000.db2.gz UWKSATVBSYMHGU-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001230575899 1312271153 /nfs/dbraw/zinc/27/11/53/1312271153.db2.gz SIBWYQHQPZQOTA-MOPGFXCFSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598733 1312279077 /nfs/dbraw/zinc/27/90/77/1312279077.db2.gz XTLGMMQWVLQLIO-WOJBJXKFSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001230611623 1312282812 /nfs/dbraw/zinc/28/28/12/1312282812.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611623 1312282814 /nfs/dbraw/zinc/28/28/14/1312282814.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611623 1312282816 /nfs/dbraw/zinc/28/28/16/1312282816.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611357 1312283394 /nfs/dbraw/zinc/28/33/94/1312283394.db2.gz RBLWGLCWWPVGGW-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230617500 1312284939 /nfs/dbraw/zinc/28/49/39/1312284939.db2.gz BHQJHVIBSXFXFB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617500 1312284943 /nfs/dbraw/zinc/28/49/43/1312284943.db2.gz BHQJHVIBSXFXFB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617500 1312284947 /nfs/dbraw/zinc/28/49/47/1312284947.db2.gz BHQJHVIBSXFXFB-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230617497 1312284958 /nfs/dbraw/zinc/28/49/58/1312284958.db2.gz BHQJHVIBSXFXFB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617497 1312284961 /nfs/dbraw/zinc/28/49/61/1312284961.db2.gz BHQJHVIBSXFXFB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617497 1312284965 /nfs/dbraw/zinc/28/49/65/1312284965.db2.gz BHQJHVIBSXFXFB-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628128 1312289839 /nfs/dbraw/zinc/28/98/39/1312289839.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628128 1312289843 /nfs/dbraw/zinc/28/98/43/1312289843.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628128 1312289847 /nfs/dbraw/zinc/28/98/47/1312289847.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[NH+](CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230890821 1312382812 /nfs/dbraw/zinc/38/28/12/1312382812.db2.gz KBLCRCBRZQGJFM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[N@@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890821 1312382815 /nfs/dbraw/zinc/38/28/15/1312382815.db2.gz KBLCRCBRZQGJFM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=CCCC[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890821 1312382818 /nfs/dbraw/zinc/38/28/18/1312382818.db2.gz KBLCRCBRZQGJFM-UHFFFAOYSA-N 2 1 346.519 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094082 1312448848 /nfs/dbraw/zinc/44/88/48/1312448848.db2.gz DJHAFLUKAVSVEK-QRVBRYPASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582059 1312543383 /nfs/dbraw/zinc/54/33/83/1312543383.db2.gz FLELCTBATPTWFB-QZTJIDSGSA-N 2 1 335.536 2.949 20 30 EFEDMP CC[N@H+]([C@H]1CCOC1)C1CCN(c2[nH+]c(C)ccc2CC#N)CC1 ZINC001165113935 1312570704 /nfs/dbraw/zinc/57/07/04/1312570704.db2.gz XCJALFYKINCLOE-SFHVURJKSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2[nH+]c(C)ccc2CC#N)CC1 ZINC001165113935 1312570709 /nfs/dbraw/zinc/57/07/09/1312570709.db2.gz XCJALFYKINCLOE-SFHVURJKSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]c(C)ccc2CC#N)CC1 ZINC001165113934 1312570883 /nfs/dbraw/zinc/57/08/83/1312570883.db2.gz XCJALFYKINCLOE-GOSISDBHSA-N 2 1 328.460 2.536 20 30 EFEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]c(C)ccc2CC#N)CC1 ZINC001165113934 1312570893 /nfs/dbraw/zinc/57/08/93/1312570893.db2.gz XCJALFYKINCLOE-GOSISDBHSA-N 2 1 328.460 2.536 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234247 1312608890 /nfs/dbraw/zinc/60/88/90/1312608890.db2.gz BJONWYYICBFAAC-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234247 1312608893 /nfs/dbraw/zinc/60/88/93/1312608893.db2.gz BJONWYYICBFAAC-HSALFYBXSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485036 1312636163 /nfs/dbraw/zinc/63/61/63/1312636163.db2.gz KGVQUQNTRUTXIH-SFHVURJKSA-N 2 1 333.520 2.846 20 30 EFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484700 1312636494 /nfs/dbraw/zinc/63/64/94/1312636494.db2.gz GZBPUZABDZUMBA-GOSISDBHSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492331 1312637944 /nfs/dbraw/zinc/63/79/44/1312637944.db2.gz QNEBRZNWQGJRAX-MRXNPFEDSA-N 2 1 341.927 2.878 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001165545210 1312645200 /nfs/dbraw/zinc/64/52/00/1312645200.db2.gz GARHCXHPTCFSBD-MOPGFXCFSA-N 2 1 347.547 2.642 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001165545210 1312645204 /nfs/dbraw/zinc/64/52/04/1312645204.db2.gz GARHCXHPTCFSBD-MOPGFXCFSA-N 2 1 347.547 2.642 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857738 1314425799 /nfs/dbraw/zinc/42/57/99/1314425799.db2.gz SOTFRMSPODRGKW-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211375094 1314488293 /nfs/dbraw/zinc/48/82/93/1314488293.db2.gz ZHWSTFOAYFJLTC-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211375094 1314488296 /nfs/dbraw/zinc/48/82/96/1314488296.db2.gz ZHWSTFOAYFJLTC-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959001 1314518294 /nfs/dbraw/zinc/51/82/94/1314518294.db2.gz QCCIYJGNKFFCOZ-LJQANCHMSA-N 2 1 347.547 2.739 20 30 EFEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC[NH3+] ZINC001245977172 1314558508 /nfs/dbraw/zinc/55/85/08/1314558508.db2.gz WKUMNNAFMUQQRG-IBGZPJMESA-N 2 1 346.556 2.850 20 30 EFEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001245989520 1314560629 /nfs/dbraw/zinc/56/06/29/1314560629.db2.gz WYXWITQTDSDVCW-IPMKNSEASA-N 2 1 326.525 2.989 20 30 EFEDMP CCCCCCCCCC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246030396 1314570118 /nfs/dbraw/zinc/57/01/18/1314570118.db2.gz SGNHQZFBRBWIMN-OALUTQOASA-N 2 1 325.541 2.515 20 30 EFEDMP CCCCCCCCCC[N@@H+](C)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246062667 1314577048 /nfs/dbraw/zinc/57/70/48/1314577048.db2.gz NBSWGRJNJBXINJ-GOSISDBHSA-N 2 1 328.541 2.924 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246066003 1314578321 /nfs/dbraw/zinc/57/83/21/1314578321.db2.gz XUXMMJQIVWKXOL-SQNIBIBYSA-N 2 1 342.524 2.700 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028342 1314600013 /nfs/dbraw/zinc/60/00/13/1314600013.db2.gz LEVFQFPPFZEBMQ-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029934 1314602787 /nfs/dbraw/zinc/60/27/87/1314602787.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029934 1314602792 /nfs/dbraw/zinc/60/27/92/1314602792.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029934 1314602798 /nfs/dbraw/zinc/60/27/98/1314602798.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029931 1314603408 /nfs/dbraw/zinc/60/34/08/1314603408.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029931 1314603414 /nfs/dbraw/zinc/60/34/14/1314603414.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029931 1314603419 /nfs/dbraw/zinc/60/34/19/1314603419.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001246305147 1314608555 /nfs/dbraw/zinc/60/85/55/1314608555.db2.gz GWZXVORKFIUWCR-MJBXVCDLSA-N 2 1 336.398 2.924 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC001246305402 1314608705 /nfs/dbraw/zinc/60/87/05/1314608705.db2.gz RATKOIDCBKRUHG-APWZRJJASA-N 2 1 348.487 2.833 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043755 1314626483 /nfs/dbraw/zinc/62/64/83/1314626483.db2.gz YYRKJTGSVWDELT-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045184 1314628681 /nfs/dbraw/zinc/62/86/81/1314628681.db2.gz XQULGEUSTLDNLJ-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246485852 1314634937 /nfs/dbraw/zinc/63/49/37/1314634937.db2.gz ORNWZGZMLJIJDM-KZNAEPCWSA-N 2 1 329.444 2.509 20 30 EFEDMP N#C[C@H]1CC[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246485854 1314634948 /nfs/dbraw/zinc/63/49/48/1314634948.db2.gz ORNWZGZMLJIJDM-OKZBNKHCSA-N 2 1 329.444 2.509 20 30 EFEDMP N#CC1CCC([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246486939 1314636161 /nfs/dbraw/zinc/63/61/61/1314636161.db2.gz QYJUGPVFRIVQRM-NKELODKYSA-N 2 1 343.471 2.899 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054018 1314643899 /nfs/dbraw/zinc/64/38/99/1314643899.db2.gz GJVRUZCKHUWCSD-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054018 1314643902 /nfs/dbraw/zinc/64/39/02/1314643902.db2.gz GJVRUZCKHUWCSD-OALUTQOASA-N 2 1 344.503 2.718 20 30 EFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246545113 1314645514 /nfs/dbraw/zinc/64/55/14/1314645514.db2.gz SZWXRNVLFQBICD-MHJFOBGBSA-N 2 1 345.462 2.705 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551993 1314646755 /nfs/dbraw/zinc/64/67/55/1314646755.db2.gz UBUVYUZRMXIQDN-CMKODMSKSA-N 2 1 349.519 2.874 20 30 EFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561629 1314648935 /nfs/dbraw/zinc/64/89/35/1314648935.db2.gz RJKBQPGUQFRXEF-SOAGJPPSSA-N 2 1 345.462 2.705 20 30 EFEDMP CCCCCCC[C@H](CCC)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246626736 1314660074 /nfs/dbraw/zinc/66/00/74/1314660074.db2.gz KOCGXKFJFNRLPU-PXNSSMCTSA-N 2 1 335.536 2.927 20 30 EFEDMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246791412 1314683226 /nfs/dbraw/zinc/68/32/26/1314683226.db2.gz OQADYPXCDVIRIK-RBUKOAKNSA-N 2 1 326.488 2.847 20 30 EFEDMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246795114 1314683908 /nfs/dbraw/zinc/68/39/08/1314683908.db2.gz LUAICOAASNOJBF-UYAOXDASSA-N 2 1 326.488 2.991 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099214 1314714568 /nfs/dbraw/zinc/71/45/68/1314714568.db2.gz BIIJHRWSEXGLJC-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103963 1314724083 /nfs/dbraw/zinc/72/40/83/1314724083.db2.gz BEBKUOXNBRXBHX-VQTJNVASSA-N 2 1 345.531 2.589 20 30 EFEDMP N#Cc1ccccc1OC1C[NH+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246992945 1314726399 /nfs/dbraw/zinc/72/63/99/1314726399.db2.gz XSYMSGVJGOLAQL-UHFFFAOYSA-N 2 1 325.456 2.934 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105413 1314727928 /nfs/dbraw/zinc/72/79/28/1314727928.db2.gz OIIZDTXZBJZVRE-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108842 1314732919 /nfs/dbraw/zinc/73/29/19/1314732919.db2.gz XHNDJWGNWWLGIW-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053108842 1314732923 /nfs/dbraw/zinc/73/29/23/1314732923.db2.gz XHNDJWGNWWLGIW-RBUKOAKNSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855975 1314748253 /nfs/dbraw/zinc/74/82/53/1314748253.db2.gz SXCWSQQVJDVUGH-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228590 1314803075 /nfs/dbraw/zinc/80/30/75/1314803075.db2.gz WKRYQYWNCWPDIW-RHSMWYFYSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539952 1314847769 /nfs/dbraw/zinc/84/77/69/1314847769.db2.gz FFIKMWQFXOISNB-GPMSIDNRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215541376 1314847785 /nfs/dbraw/zinc/84/77/85/1314847785.db2.gz ZWNHQMARQSVLNI-MDZRGWNJSA-N 2 1 339.499 2.602 20 30 EFEDMP C=CCOc1ccc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c(F)c1 ZINC001248898240 1314994636 /nfs/dbraw/zinc/99/46/36/1314994636.db2.gz FIYDWMOYRGXWNG-INIZCTEOSA-N 2 1 346.406 2.830 20 30 EFEDMP CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c(C#N)c1 ZINC001249327793 1315054792 /nfs/dbraw/zinc/05/47/92/1315054792.db2.gz QUQHRYNFVMGSSN-MRXNPFEDSA-N 2 1 339.443 2.905 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054128909 1315336934 /nfs/dbraw/zinc/33/69/34/1315336934.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054128909 1315336937 /nfs/dbraw/zinc/33/69/37/1315336937.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054128909 1315336941 /nfs/dbraw/zinc/33/69/41/1315336941.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129239 1315336977 /nfs/dbraw/zinc/33/69/77/1315336977.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129239 1315336982 /nfs/dbraw/zinc/33/69/82/1315336982.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129239 1315336984 /nfs/dbraw/zinc/33/69/84/1315336984.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054134017 1315346228 /nfs/dbraw/zinc/34/62/28/1315346228.db2.gz SAPDKTFJPXCYNE-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054134017 1315346232 /nfs/dbraw/zinc/34/62/32/1315346232.db2.gz SAPDKTFJPXCYNE-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142460 1315359573 /nfs/dbraw/zinc/35/95/73/1315359573.db2.gz CGKSBAUABKMOGS-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142460 1315359577 /nfs/dbraw/zinc/35/95/77/1315359577.db2.gz CGKSBAUABKMOGS-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142460 1315359583 /nfs/dbraw/zinc/35/95/83/1315359583.db2.gz CGKSBAUABKMOGS-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144334 1315362996 /nfs/dbraw/zinc/36/29/96/1315362996.db2.gz TWUGMYZRUAOBGR-QGZVFWFLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145671 1315365118 /nfs/dbraw/zinc/36/51/18/1315365118.db2.gz VSZGBLODGUWIMJ-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145671 1315365122 /nfs/dbraw/zinc/36/51/22/1315365122.db2.gz VSZGBLODGUWIMJ-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145671 1315365126 /nfs/dbraw/zinc/36/51/26/1315365126.db2.gz VSZGBLODGUWIMJ-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145897 1315365536 /nfs/dbraw/zinc/36/55/36/1315365536.db2.gz ZIZVLLYEORJFKO-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145897 1315365538 /nfs/dbraw/zinc/36/55/38/1315365538.db2.gz ZIZVLLYEORJFKO-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145518 1315366047 /nfs/dbraw/zinc/36/60/47/1315366047.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145518 1315366049 /nfs/dbraw/zinc/36/60/49/1315366049.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145518 1315366051 /nfs/dbraw/zinc/36/60/51/1315366051.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054158372 1315385687 /nfs/dbraw/zinc/38/56/87/1315385687.db2.gz KDNRJPYJEOGZEZ-HXUWFJFHSA-N 2 1 338.455 2.757 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159152 1315387118 /nfs/dbraw/zinc/38/71/18/1315387118.db2.gz TUHUFAVYGPLLJX-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159152 1315387122 /nfs/dbraw/zinc/38/71/22/1315387122.db2.gz TUHUFAVYGPLLJX-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159152 1315387125 /nfs/dbraw/zinc/38/71/25/1315387125.db2.gz TUHUFAVYGPLLJX-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159156 1315387512 /nfs/dbraw/zinc/38/75/12/1315387512.db2.gz TUHUFAVYGPLLJX-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159156 1315387518 /nfs/dbraw/zinc/38/75/18/1315387518.db2.gz TUHUFAVYGPLLJX-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159156 1315387523 /nfs/dbraw/zinc/38/75/23/1315387523.db2.gz TUHUFAVYGPLLJX-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP CCCCCCCC[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252128150 1315416876 /nfs/dbraw/zinc/41/68/76/1315416876.db2.gz JEBIABSWSCKAJV-SFHVURJKSA-N 2 1 344.540 2.915 20 30 EFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252128163 1315417062 /nfs/dbraw/zinc/41/70/62/1315417062.db2.gz JODHZKCFSYFLAZ-HSALFYBXSA-N 2 1 339.568 2.808 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186588 1315428117 /nfs/dbraw/zinc/42/81/17/1315428117.db2.gz WMKVPBKFEUKPAY-FQEVSTJZSA-N 2 1 345.487 2.845 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190475 1315430956 /nfs/dbraw/zinc/43/09/56/1315430956.db2.gz KINQAPUNHDAPLU-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075021 1315449476 /nfs/dbraw/zinc/44/94/76/1315449476.db2.gz XCPMRVLTRQXYBG-MRXNPFEDSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252460527 1315451986 /nfs/dbraw/zinc/45/19/86/1315451986.db2.gz CPCNZBKGKKOOPE-MJGOQNOKSA-N 2 1 348.487 2.520 20 30 EFEDMP C=CCOC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001252467433 1315453111 /nfs/dbraw/zinc/45/31/11/1315453111.db2.gz YNBKOLROBPMBLB-FQEVSTJZSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474223 1315453923 /nfs/dbraw/zinc/45/39/23/1315453923.db2.gz WTIUPJRDXZAUDC-SFTDATJTSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252474223 1315453924 /nfs/dbraw/zinc/45/39/24/1315453924.db2.gz WTIUPJRDXZAUDC-SFTDATJTSA-N 2 1 344.499 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252474223 1315453927 /nfs/dbraw/zinc/45/39/27/1315453927.db2.gz WTIUPJRDXZAUDC-SFTDATJTSA-N 2 1 344.499 2.538 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209474 1315459917 /nfs/dbraw/zinc/45/99/17/1315459917.db2.gz QYQMCYOGXQDSSY-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209785 1315461352 /nfs/dbraw/zinc/46/13/52/1315461352.db2.gz XSVZMCKNVULOTM-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001252553239 1315467997 /nfs/dbraw/zinc/46/79/97/1315467997.db2.gz UYBXMAASWLRXBZ-LJQANCHMSA-N 2 1 329.488 2.695 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219822 1315475747 /nfs/dbraw/zinc/47/57/47/1315475747.db2.gz XKFRZAZQEWJVMG-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226795 1315484877 /nfs/dbraw/zinc/48/48/77/1315484877.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226795 1315484880 /nfs/dbraw/zinc/48/48/80/1315484880.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226795 1315484884 /nfs/dbraw/zinc/48/48/84/1315484884.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227254 1315486319 /nfs/dbraw/zinc/48/63/19/1315486319.db2.gz FZLDUEVDVFAOTO-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227254 1315486322 /nfs/dbraw/zinc/48/63/22/1315486322.db2.gz FZLDUEVDVFAOTO-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227254 1315486326 /nfs/dbraw/zinc/48/63/26/1315486326.db2.gz FZLDUEVDVFAOTO-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244508 1315515280 /nfs/dbraw/zinc/51/52/80/1315515280.db2.gz FYEDBZRJZRSBAP-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245082 1315516217 /nfs/dbraw/zinc/51/62/17/1315516217.db2.gz OLXSBASZNPZJQA-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245476 1315516594 /nfs/dbraw/zinc/51/65/94/1315516594.db2.gz TURIUNOXCWDUIW-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134471 1315518653 /nfs/dbraw/zinc/51/86/53/1315518653.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134471 1315518660 /nfs/dbraw/zinc/51/86/60/1315518660.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134471 1315518665 /nfs/dbraw/zinc/51/86/65/1315518665.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039134494 1315518856 /nfs/dbraw/zinc/51/88/56/1315518856.db2.gz QPTUGYPOEDVBOA-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134494 1315518859 /nfs/dbraw/zinc/51/88/59/1315518859.db2.gz QPTUGYPOEDVBOA-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134494 1315518862 /nfs/dbraw/zinc/51/88/62/1315518862.db2.gz QPTUGYPOEDVBOA-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134706 1315519228 /nfs/dbraw/zinc/51/92/28/1315519228.db2.gz UNPKJGUQIBOGGU-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134708 1315519810 /nfs/dbraw/zinc/51/98/10/1315519810.db2.gz UNPKJGUQIBOGGU-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138361 1315525477 /nfs/dbraw/zinc/52/54/77/1315525477.db2.gz OVOZLQVCDSLDEC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138361 1315525478 /nfs/dbraw/zinc/52/54/78/1315525478.db2.gz OVOZLQVCDSLDEC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138361 1315525482 /nfs/dbraw/zinc/52/54/82/1315525482.db2.gz OVOZLQVCDSLDEC-VQTJNVASSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140909 1315530192 /nfs/dbraw/zinc/53/01/92/1315530192.db2.gz KOECVJLVUVPEFD-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140909 1315530197 /nfs/dbraw/zinc/53/01/97/1315530197.db2.gz KOECVJLVUVPEFD-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140909 1315530206 /nfs/dbraw/zinc/53/02/06/1315530206.db2.gz KOECVJLVUVPEFD-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555577 /nfs/dbraw/zinc/55/55/77/1315555577.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555581 /nfs/dbraw/zinc/55/55/81/1315555581.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555584 /nfs/dbraw/zinc/55/55/84/1315555584.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631304 1315566887 /nfs/dbraw/zinc/56/68/87/1315566887.db2.gz KHSYTRKIARWQBK-QRVBRYPASA-N 2 1 335.536 2.852 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167183 1315568467 /nfs/dbraw/zinc/56/84/67/1315568467.db2.gz NTKNFUOACGMEFU-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167183 1315568471 /nfs/dbraw/zinc/56/84/71/1315568471.db2.gz NTKNFUOACGMEFU-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167183 1315568474 /nfs/dbraw/zinc/56/84/74/1315568474.db2.gz NTKNFUOACGMEFU-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646475 1315569761 /nfs/dbraw/zinc/56/97/61/1315569761.db2.gz CGFOYQAJZRBZAZ-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221646475 1315569766 /nfs/dbraw/zinc/56/97/66/1315569766.db2.gz CGFOYQAJZRBZAZ-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221646475 1315569770 /nfs/dbraw/zinc/56/97/70/1315569770.db2.gz CGFOYQAJZRBZAZ-GUDVDZBRSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182496 1315589829 /nfs/dbraw/zinc/58/98/29/1315589829.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182496 1315589831 /nfs/dbraw/zinc/58/98/31/1315589831.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182496 1315589832 /nfs/dbraw/zinc/58/98/32/1315589832.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204692 1315617295 /nfs/dbraw/zinc/61/72/95/1315617295.db2.gz AAJZIUOIENYCGV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204692 1315617298 /nfs/dbraw/zinc/61/72/98/1315617298.db2.gz AAJZIUOIENYCGV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204692 1315617299 /nfs/dbraw/zinc/61/72/99/1315617299.db2.gz AAJZIUOIENYCGV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205256 1315618186 /nfs/dbraw/zinc/61/81/86/1315618186.db2.gz NXZYFEIWPOSYEY-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205256 1315618188 /nfs/dbraw/zinc/61/81/88/1315618188.db2.gz NXZYFEIWPOSYEY-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205256 1315618190 /nfs/dbraw/zinc/61/81/90/1315618190.db2.gz NXZYFEIWPOSYEY-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208315 1315621627 /nfs/dbraw/zinc/62/16/27/1315621627.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208315 1315621630 /nfs/dbraw/zinc/62/16/30/1315621630.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208315 1315621632 /nfs/dbraw/zinc/62/16/32/1315621632.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039213461 1315629763 /nfs/dbraw/zinc/62/97/63/1315629763.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213461 1315629766 /nfs/dbraw/zinc/62/97/66/1315629766.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039213461 1315629771 /nfs/dbraw/zinc/62/97/71/1315629771.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224093 1315643633 /nfs/dbraw/zinc/64/36/33/1315643633.db2.gz CQDTWGBGLASYFZ-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228550 1315650718 /nfs/dbraw/zinc/65/07/18/1315650718.db2.gz JFYFUJLXNHRWSG-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231655 1315654346 /nfs/dbraw/zinc/65/43/46/1315654346.db2.gz XJNJPOQYYPKGIL-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231655 1315654350 /nfs/dbraw/zinc/65/43/50/1315654350.db2.gz XJNJPOQYYPKGIL-OALUTQOASA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236350 1315660645 /nfs/dbraw/zinc/66/06/45/1315660645.db2.gz ZHUKSVDNPOBZNE-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236864 1315661196 /nfs/dbraw/zinc/66/11/96/1315661196.db2.gz FVVJWAXJRJOLBO-WMZOPIPTSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039238032 1315663819 /nfs/dbraw/zinc/66/38/19/1315663819.db2.gz JZQAOYICYPFEQU-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241556 1315669441 /nfs/dbraw/zinc/66/94/41/1315669441.db2.gz CLOPBCZJWMWFFD-VQTJNVASSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247382 1315677357 /nfs/dbraw/zinc/67/73/57/1315677357.db2.gz VYTKISGCQJBVQP-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250169 1315681230 /nfs/dbraw/zinc/68/12/30/1315681230.db2.gz JGPOILWHRMDXFW-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256921 1315688138 /nfs/dbraw/zinc/68/81/38/1315688138.db2.gz OSVNPVJZBQHRNL-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039288646 1315703095 /nfs/dbraw/zinc/70/30/95/1315703095.db2.gz DOMPGLPBLSJUGO-ZXFUBFMLSA-N 2 1 339.911 2.725 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039307619 1315711489 /nfs/dbraw/zinc/71/14/89/1315711489.db2.gz PWCPHBHTYCCKNL-MGNMYUMUSA-N 2 1 339.911 2.582 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039308776 1315712351 /nfs/dbraw/zinc/71/23/51/1315712351.db2.gz NENIZEACEUTTJZ-NXEWRWPSSA-N 2 1 345.531 2.776 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517255 1315713776 /nfs/dbraw/zinc/71/37/76/1315713776.db2.gz SQCCTHDDOBNMJJ-MJGOQNOKSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517255 1315713779 /nfs/dbraw/zinc/71/37/79/1315713779.db2.gz SQCCTHDDOBNMJJ-MJGOQNOKSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517255 1315713782 /nfs/dbraw/zinc/71/37/82/1315713782.db2.gz SQCCTHDDOBNMJJ-MJGOQNOKSA-N 2 1 335.492 2.581 20 30 EFEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254647549 1315734923 /nfs/dbraw/zinc/73/49/23/1315734923.db2.gz DAAYZEZRLWJDNP-PKOBYXMFSA-N 2 1 327.472 2.984 20 30 EFEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001254645997 1315734926 /nfs/dbraw/zinc/73/49/26/1315734926.db2.gz IOAQZBJWQRKXSH-YSTOQKLRSA-N 2 1 330.520 2.607 20 30 EFEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254647451 1315734959 /nfs/dbraw/zinc/73/49/59/1315734959.db2.gz DAAYZEZRLWJDNP-IEBWSBKVSA-N 2 1 327.472 2.984 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001522411 1315735325 /nfs/dbraw/zinc/73/53/25/1315735325.db2.gz MTUYUZMMXMQTEI-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662394 1315736292 /nfs/dbraw/zinc/73/62/92/1315736292.db2.gz GGGCQEJCOKOQAH-MDMHHNQBSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662394 1315736297 /nfs/dbraw/zinc/73/62/97/1315736297.db2.gz GGGCQEJCOKOQAH-MDMHHNQBSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662394 1315736302 /nfs/dbraw/zinc/73/63/02/1315736302.db2.gz GGGCQEJCOKOQAH-MDMHHNQBSA-N 2 1 341.503 2.749 20 30 EFEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662394 1315736306 /nfs/dbraw/zinc/73/63/06/1315736306.db2.gz GGGCQEJCOKOQAH-MDMHHNQBSA-N 2 1 341.503 2.749 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375797 1315748555 /nfs/dbraw/zinc/74/85/55/1315748555.db2.gz XSVVTLRJQQNEJQ-MSOLQXFVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207368 1315749639 /nfs/dbraw/zinc/74/96/39/1315749639.db2.gz NJEROFWFTXOXSF-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380557 1315751404 /nfs/dbraw/zinc/75/14/04/1315751404.db2.gz VESPQVVAQKZNGE-YDZRNGNQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380557 1315751406 /nfs/dbraw/zinc/75/14/06/1315751406.db2.gz VESPQVVAQKZNGE-YDZRNGNQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380557 1315751409 /nfs/dbraw/zinc/75/14/09/1315751409.db2.gz VESPQVVAQKZNGE-YDZRNGNQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384669 1315754411 /nfs/dbraw/zinc/75/44/11/1315754411.db2.gz ICQTYSPJGIFCTK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384669 1315754415 /nfs/dbraw/zinc/75/44/15/1315754415.db2.gz ICQTYSPJGIFCTK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384669 1315754419 /nfs/dbraw/zinc/75/44/19/1315754419.db2.gz ICQTYSPJGIFCTK-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384943 1315754572 /nfs/dbraw/zinc/75/45/72/1315754572.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384943 1315754575 /nfs/dbraw/zinc/75/45/75/1315754575.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384943 1315754578 /nfs/dbraw/zinc/75/45/78/1315754578.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399643 1315764946 /nfs/dbraw/zinc/76/49/46/1315764946.db2.gz MFDXSXPJSJCMGW-MSOLQXFVSA-N 2 1 331.504 2.646 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410962 1315773447 /nfs/dbraw/zinc/77/34/47/1315773447.db2.gz FMPGQIVHTAUNSD-QYZOEREBSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563463 1315782913 /nfs/dbraw/zinc/78/29/13/1315782913.db2.gz KWWDWVFLKGDDNH-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635686 1315788323 /nfs/dbraw/zinc/78/83/23/1315788323.db2.gz PDYTVOYHQSCSQY-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447811 1315797775 /nfs/dbraw/zinc/79/77/75/1315797775.db2.gz KYXUEVYUNHLWJG-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001039458377 1315805395 /nfs/dbraw/zinc/80/53/95/1315805395.db2.gz SLRKRIRXLSWIGY-SVFBPWRDSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001039458377 1315805398 /nfs/dbraw/zinc/80/53/98/1315805398.db2.gz SLRKRIRXLSWIGY-SVFBPWRDSA-N 2 1 341.499 2.715 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039473840 1315817063 /nfs/dbraw/zinc/81/70/63/1315817063.db2.gz FGMODSYVOUDNRP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473840 1315817064 /nfs/dbraw/zinc/81/70/64/1315817064.db2.gz FGMODSYVOUDNRP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473840 1315817065 /nfs/dbraw/zinc/81/70/65/1315817065.db2.gz FGMODSYVOUDNRP-QYZOEREBSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255678453 1315857011 /nfs/dbraw/zinc/85/70/11/1315857011.db2.gz GPTOQUIKQLTZEF-MJIXASBWSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678453 1315857014 /nfs/dbraw/zinc/85/70/14/1315857014.db2.gz GPTOQUIKQLTZEF-MJIXASBWSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678453 1315857017 /nfs/dbraw/zinc/85/70/17/1315857017.db2.gz GPTOQUIKQLTZEF-MJIXASBWSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256073765 1315899916 /nfs/dbraw/zinc/89/99/16/1315899916.db2.gz YOOJBPQWRUPKCR-HXUWFJFHSA-N 2 1 347.503 2.724 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256073765 1315899918 /nfs/dbraw/zinc/89/99/18/1315899918.db2.gz YOOJBPQWRUPKCR-HXUWFJFHSA-N 2 1 347.503 2.724 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078225 1315900724 /nfs/dbraw/zinc/90/07/24/1315900724.db2.gz XKFUCHAABFBNQA-WOJBJXKFSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078225 1315900726 /nfs/dbraw/zinc/90/07/26/1315900726.db2.gz XKFUCHAABFBNQA-WOJBJXKFSA-N 2 1 334.504 2.687 20 30 EFEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CC[NH+](C)CC3)cc(C#N)c21 ZINC001256200070 1315916105 /nfs/dbraw/zinc/91/61/05/1315916105.db2.gz LKHCUJXVWMPYDE-CQSZACIVSA-N 2 1 338.455 2.788 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513616 1315961420 /nfs/dbraw/zinc/96/14/20/1315961420.db2.gz HEPVCGUKRKOSJZ-MRXNPFEDSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622966 1315970850 /nfs/dbraw/zinc/97/08/50/1315970850.db2.gz MLYALJTXBLKTDA-VYFYYAICSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622966 1315970853 /nfs/dbraw/zinc/97/08/53/1315970853.db2.gz MLYALJTXBLKTDA-VYFYYAICSA-N 2 1 334.504 2.685 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256622966 1315970856 /nfs/dbraw/zinc/97/08/56/1315970856.db2.gz MLYALJTXBLKTDA-VYFYYAICSA-N 2 1 334.504 2.685 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256964066 1316015184 /nfs/dbraw/zinc/01/51/84/1316015184.db2.gz PYFWSHFELNMACA-ADKAHSJRSA-N 2 1 347.503 2.808 20 30 EFEDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256964066 1316015185 /nfs/dbraw/zinc/01/51/85/1316015185.db2.gz PYFWSHFELNMACA-ADKAHSJRSA-N 2 1 347.503 2.808 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215310 1316047777 /nfs/dbraw/zinc/04/77/77/1316047777.db2.gz AYUMTXNXGXOLFC-WOJBJXKFSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257215310 1316047780 /nfs/dbraw/zinc/04/77/80/1316047780.db2.gz AYUMTXNXGXOLFC-WOJBJXKFSA-N 2 1 336.520 2.933 20 30 EFEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257892255 1316101298 /nfs/dbraw/zinc/10/12/98/1316101298.db2.gz WQUAEZXSCCRKOU-OSRHQDSCSA-N 2 1 348.531 2.790 20 30 EFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4C[NH+](CCOC)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257892255 1316101299 /nfs/dbraw/zinc/10/12/99/1316101299.db2.gz WQUAEZXSCCRKOU-OSRHQDSCSA-N 2 1 348.531 2.790 20 30 EFEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4C[NH+](CCOC)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257892255 1316101300 /nfs/dbraw/zinc/10/13/00/1316101300.db2.gz WQUAEZXSCCRKOU-OSRHQDSCSA-N 2 1 348.531 2.790 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209161 1316143914 /nfs/dbraw/zinc/14/39/14/1316143914.db2.gz GTIYZLFTXDFFFE-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209161 1316143918 /nfs/dbraw/zinc/14/39/18/1316143918.db2.gz GTIYZLFTXDFFFE-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209626 1316145064 /nfs/dbraw/zinc/14/50/64/1316145064.db2.gz LLYDSOOPBJPGEY-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209626 1316145066 /nfs/dbraw/zinc/14/50/66/1316145066.db2.gz LLYDSOOPBJPGEY-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209626 1316145070 /nfs/dbraw/zinc/14/50/70/1316145070.db2.gz LLYDSOOPBJPGEY-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211387 1316146154 /nfs/dbraw/zinc/14/61/54/1316146154.db2.gz ZIKKAJUYOASZNB-NRFANRHFSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258725640 1316173627 /nfs/dbraw/zinc/17/36/27/1316173627.db2.gz AIYUBNMSGBODOX-LMCOJAPRSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258725640 1316173629 /nfs/dbraw/zinc/17/36/29/1316173629.db2.gz AIYUBNMSGBODOX-LMCOJAPRSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258725640 1316173633 /nfs/dbraw/zinc/17/36/33/1316173633.db2.gz AIYUBNMSGBODOX-LMCOJAPRSA-N 2 1 343.519 2.808 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](CCC)CC1)CC2 ZINC001258773311 1316176752 /nfs/dbraw/zinc/17/67/52/1316176752.db2.gz GQEFTHOSIYNRKJ-HXUWFJFHSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275250 1316178869 /nfs/dbraw/zinc/17/88/69/1316178869.db2.gz JUZCXHJIMAMWOW-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275250 1316178872 /nfs/dbraw/zinc/17/88/72/1316178872.db2.gz JUZCXHJIMAMWOW-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275250 1316178877 /nfs/dbraw/zinc/17/88/77/1316178877.db2.gz JUZCXHJIMAMWOW-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279902 1316180609 /nfs/dbraw/zinc/18/06/09/1316180609.db2.gz BBIBAGVXNRTXMN-FQEVSTJZSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040348876 1316214562 /nfs/dbraw/zinc/21/45/62/1316214562.db2.gz TURXELGRHANBIT-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348876 1316214565 /nfs/dbraw/zinc/21/45/65/1316214565.db2.gz TURXELGRHANBIT-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348876 1316214568 /nfs/dbraw/zinc/21/45/68/1316214568.db2.gz TURXELGRHANBIT-CTNGQTDRSA-N 2 1 347.547 2.999 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433566 1316263178 /nfs/dbraw/zinc/26/31/78/1316263178.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433566 1316263179 /nfs/dbraw/zinc/26/31/79/1316263179.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433566 1316263181 /nfs/dbraw/zinc/26/31/81/1316263181.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548066 1316318150 /nfs/dbraw/zinc/31/81/50/1316318150.db2.gz POQUAJBGRVSHQH-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548066 1316318152 /nfs/dbraw/zinc/31/81/52/1316318152.db2.gz POQUAJBGRVSHQH-FPOVZHCZSA-N 2 1 341.499 2.790 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109771 1316359220 /nfs/dbraw/zinc/35/92/20/1316359220.db2.gz MNXGODAIPWZLHR-DLBZAZTESA-N 2 1 345.487 2.727 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726024 1316360940 /nfs/dbraw/zinc/36/09/40/1316360940.db2.gz IOAQDEUIQQWJPW-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729732 1316361886 /nfs/dbraw/zinc/36/18/86/1316361886.db2.gz OWLPULDLIGOGCR-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746735 1316365843 /nfs/dbraw/zinc/36/58/43/1316365843.db2.gz GUPFNYZLELVBLF-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822880 1316382745 /nfs/dbraw/zinc/38/27/45/1316382745.db2.gz OPZLCWRCIOFUBH-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358826 1316527347 /nfs/dbraw/zinc/52/73/47/1316527347.db2.gz QXAFGASXWSDTEX-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358826 1316527350 /nfs/dbraw/zinc/52/73/50/1316527350.db2.gz QXAFGASXWSDTEX-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041369676 1316530297 /nfs/dbraw/zinc/53/02/97/1316530297.db2.gz BHQSAYKLHVITFE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369676 1316530300 /nfs/dbraw/zinc/53/03/00/1316530300.db2.gz BHQSAYKLHVITFE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369676 1316530303 /nfs/dbraw/zinc/53/03/03/1316530303.db2.gz BHQSAYKLHVITFE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369676 1316530307 /nfs/dbraw/zinc/53/03/07/1316530307.db2.gz BHQSAYKLHVITFE-AEFFLSMTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001263341428 1316534306 /nfs/dbraw/zinc/53/43/06/1316534306.db2.gz NRGQEJCNEQXIAP-DLBZAZTESA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432492 1316550365 /nfs/dbraw/zinc/55/03/65/1316550365.db2.gz QJUYVQPGJJPBSF-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432492 1316550367 /nfs/dbraw/zinc/55/03/67/1316550367.db2.gz QJUYVQPGJJPBSF-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432492 1316550368 /nfs/dbraw/zinc/55/03/68/1316550368.db2.gz QJUYVQPGJJPBSF-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440516 1316551957 /nfs/dbraw/zinc/55/19/57/1316551957.db2.gz OHMPJVLORRJKRN-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001041505428 1316569555 /nfs/dbraw/zinc/56/95/55/1316569555.db2.gz ICOGQBANSDEPOH-OAQYLSRUSA-N 2 1 341.499 2.515 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506292 1316570150 /nfs/dbraw/zinc/57/01/50/1316570150.db2.gz QKGQIEDKUOYZRT-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537606 1316581250 /nfs/dbraw/zinc/58/12/50/1316581250.db2.gz ZOYAGZPOTROBRB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591187 1316611601 /nfs/dbraw/zinc/61/16/01/1316611601.db2.gz XSFNKJSSFPRDHX-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591187 1316611602 /nfs/dbraw/zinc/61/16/02/1316611602.db2.gz XSFNKJSSFPRDHX-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591187 1316611603 /nfs/dbraw/zinc/61/16/03/1316611603.db2.gz XSFNKJSSFPRDHX-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603992 1316616768 /nfs/dbraw/zinc/61/67/68/1316616768.db2.gz ZTQFEYBVBYMROZ-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603992 1316616770 /nfs/dbraw/zinc/61/67/70/1316616770.db2.gz ZTQFEYBVBYMROZ-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603992 1316616772 /nfs/dbraw/zinc/61/67/72/1316616772.db2.gz ZTQFEYBVBYMROZ-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716280 1316660633 /nfs/dbraw/zinc/66/06/33/1316660633.db2.gz ROPGIHFZRKPSMP-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716280 1316660634 /nfs/dbraw/zinc/66/06/34/1316660634.db2.gz ROPGIHFZRKPSMP-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778695 1316693903 /nfs/dbraw/zinc/69/39/03/1316693903.db2.gz DYXYDVDZZCHWFT-NHCUHLMSSA-N 2 1 341.499 2.574 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782185 1316696398 /nfs/dbraw/zinc/69/63/98/1316696398.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782185 1316696401 /nfs/dbraw/zinc/69/64/01/1316696401.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782185 1316696404 /nfs/dbraw/zinc/69/64/04/1316696404.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845968 1316732059 /nfs/dbraw/zinc/73/20/59/1316732059.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845968 1316732062 /nfs/dbraw/zinc/73/20/62/1316732062.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845968 1316732065 /nfs/dbraw/zinc/73/20/65/1316732065.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845967 1316732321 /nfs/dbraw/zinc/73/23/21/1316732321.db2.gz UJCAUVGEVHIOHU-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062890 1316852342 /nfs/dbraw/zinc/85/23/42/1316852342.db2.gz PCJJOGMYQNGHTN-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085527 1316869332 /nfs/dbraw/zinc/86/93/32/1316869332.db2.gz OORUHKNJPFGLKT-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085527 1316869333 /nfs/dbraw/zinc/86/93/33/1316869333.db2.gz OORUHKNJPFGLKT-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121052 1316893237 /nfs/dbraw/zinc/89/32/37/1316893237.db2.gz DFSBGTUGQYWZIU-QFBILLFUSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136374 1316902812 /nfs/dbraw/zinc/90/28/12/1316902812.db2.gz UIXRRATUGDKPRV-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158236 1316918865 /nfs/dbraw/zinc/91/88/65/1316918865.db2.gz VYBODAXVPLIIKE-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162162 1316922008 /nfs/dbraw/zinc/92/20/08/1316922008.db2.gz GRPLJAXHENWDBY-ICSRJNTNSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252176 1317033770 /nfs/dbraw/zinc/03/37/70/1317033770.db2.gz IJBSNQQIJKOFSK-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252176 1317033780 /nfs/dbraw/zinc/03/37/80/1317033780.db2.gz IJBSNQQIJKOFSK-ROUUACIJSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296977 1317108550 /nfs/dbraw/zinc/10/85/50/1317108550.db2.gz KDOQLPVWHOWPAV-IEBWSBKVSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369232 1317225325 /nfs/dbraw/zinc/22/53/25/1317225325.db2.gz VALNDHDKUDGVAW-FXAWDEMLSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001323636274 1329556687 /nfs/dbraw/zinc/55/66/87/1329556687.db2.gz BWTBSVQJAMXFKB-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C#CC[NH+]1CCC(c2nnc([C@@H](C)C[NH+]3CCC(C)CC3)o2)CC1 ZINC001326265768 1329743074 /nfs/dbraw/zinc/74/30/74/1329743074.db2.gz HJXBVPGBCANVBS-INIZCTEOSA-N 2 1 330.476 2.718 20 30 EFEDMP C#Cc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC001335376618 1331341011 /nfs/dbraw/zinc/34/10/11/1331341011.db2.gz PCSVHMNQTAJCMO-UHFFFAOYSA-N 2 1 339.483 2.803 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001341643251 1332273493 /nfs/dbraw/zinc/27/34/93/1332273493.db2.gz NGDYZHSLXXSMEK-SFHVURJKSA-N 2 1 333.451 2.544 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001341643251 1332273496 /nfs/dbraw/zinc/27/34/96/1332273496.db2.gz NGDYZHSLXXSMEK-SFHVURJKSA-N 2 1 333.451 2.544 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001341696744 1332277563 /nfs/dbraw/zinc/27/75/63/1332277563.db2.gz LXUAHASFSXMVFI-MAUKXSAKSA-N 2 1 331.460 2.702 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001343560971 1332357673 /nfs/dbraw/zinc/35/76/73/1332357673.db2.gz OWNOTBZQKXKUMJ-PKOBYXMFSA-N 2 1 329.488 2.793 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943599 1333789694 /nfs/dbraw/zinc/78/96/94/1333789694.db2.gz VMDJVXHWIQYJPZ-UHFFFAOYSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536438 1334235329 /nfs/dbraw/zinc/23/53/29/1334235329.db2.gz ZTBGUZXOYDCZFR-UHFFFAOYSA-N 2 1 341.927 2.878 20 30 EFEDMP CC/[NH+]=C(\N(C)C)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000849366924 1335599868 /nfs/dbraw/zinc/59/98/68/1335599868.db2.gz SBAYHOUULVGOAT-YDJIHCHBSA-N 2 1 328.504 2.912 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001367323507 1338621031 /nfs/dbraw/zinc/62/10/31/1338621031.db2.gz OYNFDLNSPRXYOV-UHFFFAOYSA-N 2 1 338.883 2.743 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001368227352 1339273008 /nfs/dbraw/zinc/27/30/08/1339273008.db2.gz HVACYALSKQRZAT-SFHVURJKSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001368227352 1339273011 /nfs/dbraw/zinc/27/30/11/1339273011.db2.gz HVACYALSKQRZAT-SFHVURJKSA-N 2 1 341.927 2.689 20 30 EFEDMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848730 1340720940 /nfs/dbraw/zinc/72/09/40/1340720940.db2.gz ZHQUDSNDXXZOQL-MRXNPFEDSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001373063229 1340889018 /nfs/dbraw/zinc/88/90/18/1340889018.db2.gz OZHJGUCZHRNWOD-KRWDZBQOSA-N 2 1 347.890 2.814 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001373282940 1340975426 /nfs/dbraw/zinc/97/54/26/1340975426.db2.gz VXFWWQFXXPWEQA-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001373951501 1341243910 /nfs/dbraw/zinc/24/39/10/1341243910.db2.gz VTYUQCIADRQDGD-UHFFFAOYSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001392011837 1355713423 /nfs/dbraw/zinc/71/34/23/1355713423.db2.gz ZDKRFRHNDLJAKC-OAHLLOKOSA-N 2 1 327.900 2.632 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171518 /nfs/dbraw/zinc/17/15/18/1348171518.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171521 /nfs/dbraw/zinc/17/15/21/1348171521.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171524 /nfs/dbraw/zinc/17/15/24/1348171524.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001388745215 1352971662 /nfs/dbraw/zinc/97/16/62/1352971662.db2.gz MLTRTOZIGJHRRL-DJIMGWMZSA-N 2 1 335.879 2.526 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001394699112 1358024588 /nfs/dbraw/zinc/02/45/88/1358024588.db2.gz BQVQQMJXAFZUDD-ROUUACIJSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001394699112 1358024592 /nfs/dbraw/zinc/02/45/92/1358024592.db2.gz BQVQQMJXAFZUDD-ROUUACIJSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001391136802 1354852274 /nfs/dbraw/zinc/85/22/74/1354852274.db2.gz SLDATQRIWNEHSR-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001391136802 1354852278 /nfs/dbraw/zinc/85/22/78/1354852278.db2.gz SLDATQRIWNEHSR-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391303785 1355045541 /nfs/dbraw/zinc/04/55/41/1355045541.db2.gz BSHYFRJYMRIOIA-OAHLLOKOSA-N 2 1 346.862 2.837 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001392200681 1355857376 /nfs/dbraw/zinc/85/73/76/1355857376.db2.gz SDRCLAMVFFMIMK-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001393155781 1356660975 /nfs/dbraw/zinc/66/09/75/1356660975.db2.gz FFSKSAGNSGCLPP-QGZVFWFLSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402221961 1363542216 /nfs/dbraw/zinc/54/22/16/1363542216.db2.gz HXHQJTFJDJNEGX-GOSISDBHSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402221961 1363542220 /nfs/dbraw/zinc/54/22/20/1363542220.db2.gz HXHQJTFJDJNEGX-GOSISDBHSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001399983729 1361636578 /nfs/dbraw/zinc/63/65/78/1361636578.db2.gz XTHVESVCLJIDRH-UHFFFAOYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001399983729 1361636582 /nfs/dbraw/zinc/63/65/82/1361636582.db2.gz XTHVESVCLJIDRH-UHFFFAOYSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001401294789 1362641685 /nfs/dbraw/zinc/64/16/85/1362641685.db2.gz GKDOUWRTUAGURV-QAPCUYQASA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001401294789 1362641688 /nfs/dbraw/zinc/64/16/88/1362641688.db2.gz GKDOUWRTUAGURV-QAPCUYQASA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001401299425 1362645677 /nfs/dbraw/zinc/64/56/77/1362645677.db2.gz RFMWWCOUSXHXIM-CZUORRHYSA-N 2 1 338.883 2.551 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001401299423 1362645811 /nfs/dbraw/zinc/64/58/11/1362645811.db2.gz RFMWWCOUSXHXIM-CJNGLKHVSA-N 2 1 338.883 2.551 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001403285162 1364499352 /nfs/dbraw/zinc/49/93/52/1364499352.db2.gz DJXHOONZDYQZBZ-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001403285162 1364499354 /nfs/dbraw/zinc/49/93/54/1364499354.db2.gz DJXHOONZDYQZBZ-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001403285162 1364499356 /nfs/dbraw/zinc/49/93/56/1364499356.db2.gz DJXHOONZDYQZBZ-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001403285162 1364499359 /nfs/dbraw/zinc/49/93/59/1364499359.db2.gz DJXHOONZDYQZBZ-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001404375125 1365481514 /nfs/dbraw/zinc/48/15/14/1365481514.db2.gz KJSDUYPNURGBPJ-IRXDYDNUSA-N 2 1 337.895 2.772 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001404512792 1365615071 /nfs/dbraw/zinc/61/50/71/1365615071.db2.gz SUCCBOCGCXPVTK-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001406999394 1368301576 /nfs/dbraw/zinc/30/15/76/1368301576.db2.gz JZIYVUGYNOQYBY-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001406999394 1368301584 /nfs/dbraw/zinc/30/15/84/1368301584.db2.gz JZIYVUGYNOQYBY-QGZVFWFLSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001407130674 1368464421 /nfs/dbraw/zinc/46/44/21/1368464421.db2.gz WSDKBHPEYOZUQL-UHFFFAOYSA-N 2 1 327.900 2.586 20 30 EFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001437749364 1388002870 /nfs/dbraw/zinc/00/28/70/1388002870.db2.gz FMYVLXDCVRDDOO-UHFFFAOYSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001437749364 1388002876 /nfs/dbraw/zinc/00/28/76/1388002876.db2.gz FMYVLXDCVRDDOO-UHFFFAOYSA-N 2 1 329.916 2.832 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001418192596 1373756803 /nfs/dbraw/zinc/75/68/03/1373756803.db2.gz WECWYXYVKBWVBZ-UHFFFAOYSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001418192596 1373756808 /nfs/dbraw/zinc/75/68/08/1373756808.db2.gz WECWYXYVKBWVBZ-UHFFFAOYSA-N 2 1 349.906 2.888 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001419203719 1374948997 /nfs/dbraw/zinc/94/89/97/1374948997.db2.gz LTZFZNWHTVUMOI-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001419845803 1375987367 /nfs/dbraw/zinc/98/73/67/1375987367.db2.gz VJODOJMVBYFQTB-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001419845803 1375987371 /nfs/dbraw/zinc/98/73/71/1375987371.db2.gz VJODOJMVBYFQTB-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001419845803 1375987376 /nfs/dbraw/zinc/98/73/76/1375987376.db2.gz VJODOJMVBYFQTB-UHFFFAOYSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001420881720 1377828463 /nfs/dbraw/zinc/82/84/63/1377828463.db2.gz ZCTXLCVCBSDWMX-OAHLLOKOSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001420881720 1377828467 /nfs/dbraw/zinc/82/84/67/1377828467.db2.gz ZCTXLCVCBSDWMX-OAHLLOKOSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001420893107 1377849856 /nfs/dbraw/zinc/84/98/56/1377849856.db2.gz OXDXSMMSLIRSES-MRXNPFEDSA-N 2 1 341.927 2.688 20 30 EFEDMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344436 1388522364 /nfs/dbraw/zinc/52/23/64/1388522364.db2.gz ZQNHDDINNRAJDE-SFHVURJKSA-N 2 1 344.503 2.521 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001420956345 1377937325 /nfs/dbraw/zinc/93/73/25/1377937325.db2.gz SYPOGQUFCMOGQE-KRWDZBQOSA-N 2 1 349.906 2.895 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001421847043 1379231025 /nfs/dbraw/zinc/23/10/25/1379231025.db2.gz PAKRPHJWGBLJMW-UHFFFAOYSA-N 2 1 338.883 2.778 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247756 1379854167 /nfs/dbraw/zinc/85/41/67/1379854167.db2.gz WPPJUQKZNBNXHH-IRXDYDNUSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001422926621 1381071605 /nfs/dbraw/zinc/07/16/05/1381071605.db2.gz LNWNQLROAPGVJT-UHFFFAOYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001422926621 1381071611 /nfs/dbraw/zinc/07/16/11/1381071611.db2.gz LNWNQLROAPGVJT-UHFFFAOYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001422926621 1381071618 /nfs/dbraw/zinc/07/16/18/1381071618.db2.gz LNWNQLROAPGVJT-UHFFFAOYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001424665377 1383240038 /nfs/dbraw/zinc/24/00/38/1383240038.db2.gz OUIDGENCJFNLJX-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001424665377 1383240043 /nfs/dbraw/zinc/24/00/43/1383240043.db2.gz OUIDGENCJFNLJX-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001424665377 1383240048 /nfs/dbraw/zinc/24/00/48/1383240048.db2.gz OUIDGENCJFNLJX-UHFFFAOYSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001425875618 1383820953 /nfs/dbraw/zinc/82/09/53/1383820953.db2.gz JPLQOPIMEMUWRB-NVXWUHKLSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001441386914 1391276141 /nfs/dbraw/zinc/27/61/41/1391276141.db2.gz OAEDQUOCMFRSRF-MRXNPFEDSA-N 2 1 329.916 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001494204492 1399210633 /nfs/dbraw/zinc/21/06/33/1399210633.db2.gz AEIRBEMHGKHDAC-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505408688 1404566324 /nfs/dbraw/zinc/56/63/24/1404566324.db2.gz KTCWMWZVYWNZHB-QFBILLFUSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001717144102 1419235546 /nfs/dbraw/zinc/23/55/46/1419235546.db2.gz PVMQFBVADKXAEL-FQEVSTJZSA-N 2 1 343.515 2.967 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717358408 1419352940 /nfs/dbraw/zinc/35/29/40/1419352940.db2.gz XQKJDZWJOJGCPQ-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000969152443 712941978 /nfs/dbraw/zinc/94/19/78/712941978.db2.gz UAWHGSWHUCZTHB-CQSZACIVSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969834338 713275960 /nfs/dbraw/zinc/27/59/60/713275960.db2.gz XVBWMEFVNPDOJD-QFBILLFUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138251 713478496 /nfs/dbraw/zinc/47/84/96/713478496.db2.gz VBJKEXPGOHMMGN-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980211772 717910505 /nfs/dbraw/zinc/91/05/05/717910505.db2.gz HORHQWBWOXCSQR-YESZJQIVSA-N 2 1 342.487 2.554 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723519 717924032 /nfs/dbraw/zinc/92/40/32/717924032.db2.gz WGQZWVGEHGQBJD-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC000980224524 717924526 /nfs/dbraw/zinc/92/45/26/717924526.db2.gz ZYQCWJFLUPLOEB-XUVXKRRUSA-N 2 1 345.531 2.511 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622021 714191753 /nfs/dbraw/zinc/19/17/53/714191753.db2.gz GUKZNWKCCQHVBV-HKUYNNGSSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634580 714212211 /nfs/dbraw/zinc/21/22/11/714212211.db2.gz CJZNTTXHSJIASA-VQIMIIECSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691662 714314975 /nfs/dbraw/zinc/31/49/75/714314975.db2.gz QMRMXVCTDVRCAD-PMACEKPBSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691665 714316488 /nfs/dbraw/zinc/31/64/88/714316488.db2.gz QMRMXVCTDVRCAD-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701246 714334772 /nfs/dbraw/zinc/33/47/72/714334772.db2.gz WORGIUBUYVCJPV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723994 714371530 /nfs/dbraw/zinc/37/15/30/714371530.db2.gz HRNZEEAKHUOJDX-IEBWSBKVSA-N 2 1 344.503 2.632 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739996 714403822 /nfs/dbraw/zinc/40/38/22/714403822.db2.gz PXULICSVHINRQP-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549940 714663679 /nfs/dbraw/zinc/66/36/79/714663679.db2.gz SWXDJNQLXWCTEZ-SWLSCSKDSA-N 2 1 326.847 2.785 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022221104 714889294 /nfs/dbraw/zinc/88/92/94/714889294.db2.gz XSNXMOXONDUZMA-OTWHNJEPSA-N 2 1 345.531 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022221104 714889298 /nfs/dbraw/zinc/88/92/98/714889298.db2.gz XSNXMOXONDUZMA-OTWHNJEPSA-N 2 1 345.531 2.537 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974947239 715369728 /nfs/dbraw/zinc/36/97/28/715369728.db2.gz NXWUDZYNEBJIQT-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947239 715369737 /nfs/dbraw/zinc/36/97/37/715369737.db2.gz NXWUDZYNEBJIQT-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947239 715369742 /nfs/dbraw/zinc/36/97/42/715369742.db2.gz NXWUDZYNEBJIQT-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411787 715706654 /nfs/dbraw/zinc/70/66/54/715706654.db2.gz SUUDOXZAGGDQDQ-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411787 715706660 /nfs/dbraw/zinc/70/66/60/715706660.db2.gz SUUDOXZAGGDQDQ-MRXNPFEDSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027439612 715804863 /nfs/dbraw/zinc/80/48/63/715804863.db2.gz NHWSALXNPYRUQW-IRXDYDNUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439612 715804870 /nfs/dbraw/zinc/80/48/70/715804870.db2.gz NHWSALXNPYRUQW-IRXDYDNUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439612 715804875 /nfs/dbraw/zinc/80/48/75/715804875.db2.gz NHWSALXNPYRUQW-IRXDYDNUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439612 715804879 /nfs/dbraw/zinc/80/48/79/715804879.db2.gz NHWSALXNPYRUQW-IRXDYDNUSA-N 2 1 341.927 2.640 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027446176 715831055 /nfs/dbraw/zinc/83/10/55/715831055.db2.gz AOWRWPNOZBIQDL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027446176 715831060 /nfs/dbraw/zinc/83/10/60/715831060.db2.gz AOWRWPNOZBIQDL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027446176 715831066 /nfs/dbraw/zinc/83/10/66/715831066.db2.gz AOWRWPNOZBIQDL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027446176 715831070 /nfs/dbraw/zinc/83/10/70/715831070.db2.gz AOWRWPNOZBIQDL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027446176 715831077 /nfs/dbraw/zinc/83/10/77/715831077.db2.gz AOWRWPNOZBIQDL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400325 716420919 /nfs/dbraw/zinc/42/09/19/716420919.db2.gz IHOQVSNNLCJFJY-HNNXBMFYSA-N 2 1 335.517 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410884 716431745 /nfs/dbraw/zinc/43/17/45/716431745.db2.gz XAHJNXCEPRHXGF-SJORKVTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410884 716431748 /nfs/dbraw/zinc/43/17/48/716431748.db2.gz XAHJNXCEPRHXGF-SJORKVTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410884 716431753 /nfs/dbraw/zinc/43/17/53/716431753.db2.gz XAHJNXCEPRHXGF-SJORKVTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410884 716431757 /nfs/dbraw/zinc/43/17/57/716431757.db2.gz XAHJNXCEPRHXGF-SJORKVTESA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414553 716440160 /nfs/dbraw/zinc/44/01/60/716440160.db2.gz VYCAHROYQSTIOT-DLBZAZTESA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414553 716440165 /nfs/dbraw/zinc/44/01/65/716440165.db2.gz VYCAHROYQSTIOT-DLBZAZTESA-N 2 1 330.476 2.555 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697270 716569988 /nfs/dbraw/zinc/56/99/88/716569988.db2.gz VBXYXSPUJAGFFL-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027697270 716569993 /nfs/dbraw/zinc/56/99/93/716569993.db2.gz VBXYXSPUJAGFFL-OALUTQOASA-N 2 1 329.488 2.788 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568318 716634957 /nfs/dbraw/zinc/63/49/57/716634957.db2.gz KVBCZQLXZDRVTP-AEFFLSMTSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588840 716661436 /nfs/dbraw/zinc/66/14/36/716661436.db2.gz MYFDZYFIJMYCRB-IBGZPJMESA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651676 716771138 /nfs/dbraw/zinc/77/11/38/716771138.db2.gz ZAOSLTGNXQYOMZ-KRWDZBQOSA-N 2 1 349.906 2.943 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651676 716771141 /nfs/dbraw/zinc/77/11/41/716771141.db2.gz ZAOSLTGNXQYOMZ-KRWDZBQOSA-N 2 1 349.906 2.943 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769962 716990446 /nfs/dbraw/zinc/99/04/46/716990446.db2.gz MLCNJXXDKNGPPB-KRWDZBQOSA-N 2 1 345.487 2.587 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000972702824 717126963 /nfs/dbraw/zinc/12/69/63/717126963.db2.gz ZDGMLXGBSJLGJT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972702824 717126966 /nfs/dbraw/zinc/12/69/66/717126966.db2.gz ZDGMLXGBSJLGJT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972702824 717126969 /nfs/dbraw/zinc/12/69/69/717126969.db2.gz ZDGMLXGBSJLGJT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972702824 717126972 /nfs/dbraw/zinc/12/69/72/717126972.db2.gz ZDGMLXGBSJLGJT-DLBZAZTESA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930351 717244710 /nfs/dbraw/zinc/24/47/10/717244710.db2.gz OAMRNNZNSVQWLI-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930351 717244714 /nfs/dbraw/zinc/24/47/14/717244714.db2.gz OAMRNNZNSVQWLI-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930351 717244718 /nfs/dbraw/zinc/24/47/18/717244718.db2.gz OAMRNNZNSVQWLI-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC000979781283 717426346 /nfs/dbraw/zinc/42/63/46/717426346.db2.gz YMCAJWYNQVJZDW-BHYGNILZSA-N 2 1 347.528 2.826 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979975555 717629994 /nfs/dbraw/zinc/62/99/94/717629994.db2.gz BPTAQEJGAMFXLZ-OTWHNJEPSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980002401 717654725 /nfs/dbraw/zinc/65/47/25/717654725.db2.gz QPIDUQUIHOPJAJ-IPMKNSEASA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985480607 724462574 /nfs/dbraw/zinc/46/25/74/724462574.db2.gz JJYBXHQDAGTPJI-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985480607 724462576 /nfs/dbraw/zinc/46/25/76/724462576.db2.gz JJYBXHQDAGTPJI-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985480607 724462579 /nfs/dbraw/zinc/46/25/79/724462579.db2.gz JJYBXHQDAGTPJI-OAHLLOKOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083322 717728882 /nfs/dbraw/zinc/72/88/82/717728882.db2.gz IBPZLAIHCIDUTO-BBWFWOEESA-N 2 1 338.455 2.659 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440076 717738207 /nfs/dbraw/zinc/73/82/07/717738207.db2.gz KGGCKAMLXQADEK-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440076 717738212 /nfs/dbraw/zinc/73/82/12/717738212.db2.gz KGGCKAMLXQADEK-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440076 717738218 /nfs/dbraw/zinc/73/82/18/717738218.db2.gz KGGCKAMLXQADEK-ICSRJNTNSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001024469110 717775435 /nfs/dbraw/zinc/77/54/35/717775435.db2.gz UXIAUSBGHOGLSV-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024469110 717775438 /nfs/dbraw/zinc/77/54/38/717775438.db2.gz UXIAUSBGHOGLSV-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141511 717786625 /nfs/dbraw/zinc/78/66/25/717786625.db2.gz BLQWXPBQLQKUGL-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141511 717786630 /nfs/dbraw/zinc/78/66/30/717786630.db2.gz BLQWXPBQLQKUGL-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141511 717786632 /nfs/dbraw/zinc/78/66/32/717786632.db2.gz BLQWXPBQLQKUGL-OKZBNKHCSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478112 717790535 /nfs/dbraw/zinc/79/05/35/717790535.db2.gz QUTUELUSOSLGCS-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478112 717790538 /nfs/dbraw/zinc/79/05/38/717790538.db2.gz QUTUELUSOSLGCS-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478112 717790541 /nfs/dbraw/zinc/79/05/41/717790541.db2.gz QUTUELUSOSLGCS-RTBURBONSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024488409 717811120 /nfs/dbraw/zinc/81/11/20/717811120.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980155188 717811757 /nfs/dbraw/zinc/81/17/57/717811757.db2.gz IAAYVOQKKUBYHX-JQHSSLGASA-N 2 1 345.487 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502362 717830715 /nfs/dbraw/zinc/83/07/15/717830715.db2.gz MFXBTMYSHSXVPI-SFHVURJKSA-N 2 1 333.520 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187966 717876847 /nfs/dbraw/zinc/87/68/47/717876847.db2.gz KWKZOGUOGWTGLL-IPMKNSEASA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980188100 717876897 /nfs/dbraw/zinc/87/68/97/717876897.db2.gz RHFGPCOBSXZRBP-KSZLIROESA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980188100 717876899 /nfs/dbraw/zinc/87/68/99/717876899.db2.gz RHFGPCOBSXZRBP-KSZLIROESA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913909 718071646 /nfs/dbraw/zinc/07/16/46/718071646.db2.gz PPISMUUTAKEBRC-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913909 718071649 /nfs/dbraw/zinc/07/16/49/718071649.db2.gz PPISMUUTAKEBRC-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913909 718071652 /nfs/dbraw/zinc/07/16/52/718071652.db2.gz PPISMUUTAKEBRC-INIZCTEOSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814046 718174447 /nfs/dbraw/zinc/17/44/47/718174447.db2.gz NIRHLXIWNWJKOD-SFHVURJKSA-N 2 1 329.488 2.909 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817901 718179000 /nfs/dbraw/zinc/17/90/00/718179000.db2.gz ARXPWQINSOUEKW-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250270 718470560 /nfs/dbraw/zinc/47/05/60/718470560.db2.gz AKRLDELZTYMJSH-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250270 718470561 /nfs/dbraw/zinc/47/05/61/718470561.db2.gz AKRLDELZTYMJSH-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251855 718472797 /nfs/dbraw/zinc/47/27/97/718472797.db2.gz LKMWYBAXBQQECC-MOPGFXCFSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258822 718475201 /nfs/dbraw/zinc/47/52/01/718475201.db2.gz JIZLOWIBGGIYAO-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252159 718477210 /nfs/dbraw/zinc/47/72/10/718477210.db2.gz MQXGBJNYQIODIG-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252159 718477214 /nfs/dbraw/zinc/47/72/14/718477214.db2.gz MQXGBJNYQIODIG-QZTJIDSGSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252157 718477442 /nfs/dbraw/zinc/47/74/42/718477442.db2.gz MQXGBJNYQIODIG-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252157 718477443 /nfs/dbraw/zinc/47/74/43/718477443.db2.gz MQXGBJNYQIODIG-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253547 718479301 /nfs/dbraw/zinc/47/93/01/718479301.db2.gz WABYMQVSFIUSMD-MSOLQXFVSA-N 2 1 344.503 2.774 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267299 718487493 /nfs/dbraw/zinc/48/74/93/718487493.db2.gz OBMNWTHOQGXQIC-RTBURBONSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260580 718488028 /nfs/dbraw/zinc/48/80/28/718488028.db2.gz YNDCDUYOSJPVOX-MOPGFXCFSA-N 2 1 345.531 2.730 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260709 718488613 /nfs/dbraw/zinc/48/86/13/718488613.db2.gz YWJBBGAZVWISGM-OALUTQOASA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279640 718517463 /nfs/dbraw/zinc/51/74/63/718517463.db2.gz FOYPBIXFQPYNOU-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293077 718533754 /nfs/dbraw/zinc/53/37/54/718533754.db2.gz AFCQZNWPTDKDJP-IAGOWNOFSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293077 718533755 /nfs/dbraw/zinc/53/37/55/718533755.db2.gz AFCQZNWPTDKDJP-IAGOWNOFSA-N 2 1 339.911 2.680 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293354 718534817 /nfs/dbraw/zinc/53/48/17/718534817.db2.gz CFXIHRFQLPAYOC-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293354 718534818 /nfs/dbraw/zinc/53/48/18/718534818.db2.gz CFXIHRFQLPAYOC-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300764 718546872 /nfs/dbraw/zinc/54/68/72/718546872.db2.gz FCYPRTKDOKOZGN-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001029917001 724522203 /nfs/dbraw/zinc/52/22/03/724522203.db2.gz GADMUDQCGVROON-UXHICEINSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029917001 724522204 /nfs/dbraw/zinc/52/22/04/724522204.db2.gz GADMUDQCGVROON-UXHICEINSA-N 2 1 341.499 2.760 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029917001 724522205 /nfs/dbraw/zinc/52/22/05/724522205.db2.gz GADMUDQCGVROON-UXHICEINSA-N 2 1 341.499 2.760 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433290 718837052 /nfs/dbraw/zinc/83/70/52/718837052.db2.gz MFPFXTGAUMGVEU-HZPDHXFCSA-N 2 1 347.528 2.663 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469453 718952184 /nfs/dbraw/zinc/95/21/84/718952184.db2.gz PHIXOXIPONGTAM-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473210 718959470 /nfs/dbraw/zinc/95/94/70/718959470.db2.gz ARSGFRYAPXEJCZ-WBVHZDCISA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764896 719012446 /nfs/dbraw/zinc/01/24/46/719012446.db2.gz JDSUPFGJPBBSOU-INIZCTEOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764896 719012450 /nfs/dbraw/zinc/01/24/50/719012450.db2.gz JDSUPFGJPBBSOU-INIZCTEOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764896 719012454 /nfs/dbraw/zinc/01/24/54/719012454.db2.gz JDSUPFGJPBBSOU-INIZCTEOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764896 719012459 /nfs/dbraw/zinc/01/24/59/719012459.db2.gz JDSUPFGJPBBSOU-INIZCTEOSA-N 2 1 339.911 2.536 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492937 719021411 /nfs/dbraw/zinc/02/14/11/719021411.db2.gz HFWCNDFKDQDZJR-HKUYNNGSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778354 719027427 /nfs/dbraw/zinc/02/74/27/719027427.db2.gz IWMPMTGBAQGLII-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778354 719027430 /nfs/dbraw/zinc/02/74/30/719027430.db2.gz IWMPMTGBAQGLII-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778354 719027433 /nfs/dbraw/zinc/02/74/33/719027433.db2.gz IWMPMTGBAQGLII-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981803190 719057416 /nfs/dbraw/zinc/05/74/16/719057416.db2.gz UIGIPPGJEFNMNT-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981803190 719057420 /nfs/dbraw/zinc/05/74/20/719057420.db2.gz UIGIPPGJEFNMNT-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803190 719057425 /nfs/dbraw/zinc/05/74/25/719057425.db2.gz UIGIPPGJEFNMNT-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803190 719057432 /nfs/dbraw/zinc/05/74/32/719057432.db2.gz UIGIPPGJEFNMNT-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981810676 719071019 /nfs/dbraw/zinc/07/10/19/719071019.db2.gz XDTWRZRLIVMHOD-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810676 719071024 /nfs/dbraw/zinc/07/10/24/719071024.db2.gz XDTWRZRLIVMHOD-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810676 719071027 /nfs/dbraw/zinc/07/10/27/719071027.db2.gz XDTWRZRLIVMHOD-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842808 719120742 /nfs/dbraw/zinc/12/07/42/719120742.db2.gz MLDVHBSFWVCWTA-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842808 719120745 /nfs/dbraw/zinc/12/07/45/719120745.db2.gz MLDVHBSFWVCWTA-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981842808 719120750 /nfs/dbraw/zinc/12/07/50/719120750.db2.gz MLDVHBSFWVCWTA-OALUTQOASA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842807 719120947 /nfs/dbraw/zinc/12/09/47/719120947.db2.gz MLDVHBSFWVCWTA-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981842807 719120950 /nfs/dbraw/zinc/12/09/50/719120950.db2.gz MLDVHBSFWVCWTA-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842807 719120952 /nfs/dbraw/zinc/12/09/52/719120952.db2.gz MLDVHBSFWVCWTA-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557354 719124006 /nfs/dbraw/zinc/12/40/06/719124006.db2.gz GUCYBZOZDFNFNC-PXNSSMCTSA-N 2 1 341.499 2.602 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558337 719125200 /nfs/dbraw/zinc/12/52/00/719125200.db2.gz MIWOMPGDENZIJO-YLJYHZDGSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560041 719130884 /nfs/dbraw/zinc/13/08/84/719130884.db2.gz ZKBSQEKQVJLNBQ-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865182 719143349 /nfs/dbraw/zinc/14/33/49/719143349.db2.gz NRYOWYIWSWAHER-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865182 719143353 /nfs/dbraw/zinc/14/33/53/719143353.db2.gz NRYOWYIWSWAHER-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865182 719143355 /nfs/dbraw/zinc/14/33/55/719143355.db2.gz NRYOWYIWSWAHER-LJQANCHMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3cccc4nccn43)C2)C1 ZINC000981891431 719165228 /nfs/dbraw/zinc/16/52/28/719165228.db2.gz LBCHPMGFEMMYEZ-UHFFFAOYSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583852 719165399 /nfs/dbraw/zinc/16/53/99/719165399.db2.gz CBGCYURIUPMXOX-HKUYNNGSSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)CN1CCCC2(CN(C(=O)c3ccc4cncn4c3)C2)C1 ZINC000981893809 719167262 /nfs/dbraw/zinc/16/72/62/719167262.db2.gz OCYCHFZIEPQYRC-UHFFFAOYSA-N 2 1 344.846 2.625 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628684 719251534 /nfs/dbraw/zinc/25/15/34/719251534.db2.gz TYYJOLZRVQMLLJ-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629680 719254323 /nfs/dbraw/zinc/25/43/23/719254323.db2.gz IQBRSLFRUBGVRA-QUCCMNQESA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238288 719297742 /nfs/dbraw/zinc/29/77/42/719297742.db2.gz GQMNJJAKUBYNOM-SJORKVTESA-N 2 1 337.508 2.709 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000328238288 719297745 /nfs/dbraw/zinc/29/77/45/719297745.db2.gz GQMNJJAKUBYNOM-SJORKVTESA-N 2 1 337.508 2.709 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062639 719516581 /nfs/dbraw/zinc/51/65/81/719516581.db2.gz APEHLYYSBUZCSE-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062639 719516587 /nfs/dbraw/zinc/51/65/87/719516587.db2.gz APEHLYYSBUZCSE-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062639 719516588 /nfs/dbraw/zinc/51/65/88/719516588.db2.gz APEHLYYSBUZCSE-MOPGFXCFSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084739 719527507 /nfs/dbraw/zinc/52/75/07/719527507.db2.gz PCDCCEMZFDIAKO-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071192 719534870 /nfs/dbraw/zinc/53/48/70/719534870.db2.gz BORGAKUFXVEQME-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159361 719618216 /nfs/dbraw/zinc/61/82/16/719618216.db2.gz FRUVZEHUTTUKAC-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982161178 719619821 /nfs/dbraw/zinc/61/98/21/719619821.db2.gz IUODIPBSWKGEAK-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982161178 719619823 /nfs/dbraw/zinc/61/98/23/719619823.db2.gz IUODIPBSWKGEAK-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161178 719619825 /nfs/dbraw/zinc/61/98/25/719619825.db2.gz IUODIPBSWKGEAK-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161178 719619828 /nfs/dbraw/zinc/61/98/28/719619828.db2.gz IUODIPBSWKGEAK-INIZCTEOSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985558991 724605842 /nfs/dbraw/zinc/60/58/42/724605842.db2.gz QAJATORXJBJLCN-QGZVFWFLSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000985559839 724606593 /nfs/dbraw/zinc/60/65/93/724606593.db2.gz YSTIWMHAIUFWGA-UHFFFAOYSA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279895 719792289 /nfs/dbraw/zinc/79/22/89/719792289.db2.gz LWZYAQRWGHWRMX-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279895 719792291 /nfs/dbraw/zinc/79/22/91/719792291.db2.gz LWZYAQRWGHWRMX-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279895 719792294 /nfs/dbraw/zinc/79/22/94/719792294.db2.gz LWZYAQRWGHWRMX-JYAXBFRTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295267 719835757 /nfs/dbraw/zinc/83/57/57/719835757.db2.gz PDTNAUUAJWPQGE-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295267 719835761 /nfs/dbraw/zinc/83/57/61/719835761.db2.gz PDTNAUUAJWPQGE-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295267 719835765 /nfs/dbraw/zinc/83/57/65/719835765.db2.gz PDTNAUUAJWPQGE-NRSPTQNISA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296381 719837477 /nfs/dbraw/zinc/83/74/77/719837477.db2.gz RLSDEFDZJMGYTN-SESVDKBCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296381 719837486 /nfs/dbraw/zinc/83/74/86/719837486.db2.gz RLSDEFDZJMGYTN-SESVDKBCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296381 719837494 /nfs/dbraw/zinc/83/74/94/719837494.db2.gz RLSDEFDZJMGYTN-SESVDKBCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982296482 719843068 /nfs/dbraw/zinc/84/30/68/719843068.db2.gz SZMYWKAFMAJMLL-FFZOFVMBSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296482 719843072 /nfs/dbraw/zinc/84/30/72/719843072.db2.gz SZMYWKAFMAJMLL-FFZOFVMBSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296482 719843076 /nfs/dbraw/zinc/84/30/76/719843076.db2.gz SZMYWKAFMAJMLL-FFZOFVMBSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982296480 719843537 /nfs/dbraw/zinc/84/35/37/719843537.db2.gz SZMYWKAFMAJMLL-AHRSYUTCSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296480 719843542 /nfs/dbraw/zinc/84/35/42/719843542.db2.gz SZMYWKAFMAJMLL-AHRSYUTCSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982296480 719843548 /nfs/dbraw/zinc/84/35/48/719843548.db2.gz SZMYWKAFMAJMLL-AHRSYUTCSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362248 719999613 /nfs/dbraw/zinc/99/96/13/719999613.db2.gz VNRWPBNTDFIIQP-HOCLYGCPSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594472 724694283 /nfs/dbraw/zinc/69/42/83/724694283.db2.gz UWQIILSRTWJISB-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985594472 724694284 /nfs/dbraw/zinc/69/42/84/724694284.db2.gz UWQIILSRTWJISB-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985594472 724694290 /nfs/dbraw/zinc/69/42/90/724694290.db2.gz UWQIILSRTWJISB-LJQANCHMSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001026507621 720689258 /nfs/dbraw/zinc/68/92/58/720689258.db2.gz WWEHCPXKNSRRJW-NRXISQOPSA-N 2 1 336.867 2.530 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026508849 720690596 /nfs/dbraw/zinc/69/05/96/720690596.db2.gz OGUHVXAMSWZVDR-ACBHZAAOSA-N 2 1 345.531 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026508849 720690599 /nfs/dbraw/zinc/69/05/99/720690599.db2.gz OGUHVXAMSWZVDR-ACBHZAAOSA-N 2 1 345.531 2.537 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519758 720703072 /nfs/dbraw/zinc/70/30/72/720703072.db2.gz UEPWJGBFLSOGHW-JCYILVPMSA-N 2 1 341.927 2.876 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547604 720731484 /nfs/dbraw/zinc/73/14/84/720731484.db2.gz RYRCILVMDGJMLY-KLAILNCOSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541878 720983408 /nfs/dbraw/zinc/98/34/08/720983408.db2.gz GSGBEOIFUAJIFA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541878 720983411 /nfs/dbraw/zinc/98/34/11/720983411.db2.gz GSGBEOIFUAJIFA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541878 720983413 /nfs/dbraw/zinc/98/34/13/720983413.db2.gz GSGBEOIFUAJIFA-QZTJIDSGSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@]2(C)C1 ZINC000982724977 721131524 /nfs/dbraw/zinc/13/15/24/721131524.db2.gz HUSASABKNCQBOB-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982724977 721131526 /nfs/dbraw/zinc/13/15/26/721131526.db2.gz HUSASABKNCQBOB-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982724977 721131530 /nfs/dbraw/zinc/13/15/30/721131530.db2.gz HUSASABKNCQBOB-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600070 721199323 /nfs/dbraw/zinc/19/93/23/721199323.db2.gz GECKAVXCYGYKDA-SJLPKXTDSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600070 721199329 /nfs/dbraw/zinc/19/93/29/721199329.db2.gz GECKAVXCYGYKDA-SJLPKXTDSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600070 721199332 /nfs/dbraw/zinc/19/93/32/721199332.db2.gz GECKAVXCYGYKDA-SJLPKXTDSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833326 721307696 /nfs/dbraw/zinc/30/76/96/721307696.db2.gz IMKRZUUMOJUQAI-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000985645675 724750064 /nfs/dbraw/zinc/75/00/64/724750064.db2.gz BNZCVZNVSLRGKB-UHFFFAOYSA-N 2 1 343.515 2.903 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974757321 721393020 /nfs/dbraw/zinc/39/30/20/721393020.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757321 721393021 /nfs/dbraw/zinc/39/30/21/721393021.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974757321 721393025 /nfs/dbraw/zinc/39/30/25/721393025.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919447 722097083 /nfs/dbraw/zinc/09/70/83/722097083.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919447 722097084 /nfs/dbraw/zinc/09/70/84/722097084.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919447 722097085 /nfs/dbraw/zinc/09/70/85/722097085.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919447 722097086 /nfs/dbraw/zinc/09/70/86/722097086.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919447 722097087 /nfs/dbraw/zinc/09/70/87/722097087.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985428837 724324541 /nfs/dbraw/zinc/32/45/41/724324541.db2.gz LRHQXIIRWPVBHQ-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985428837 724324545 /nfs/dbraw/zinc/32/45/45/724324545.db2.gz LRHQXIIRWPVBHQ-WBVHZDCISA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067476 728897949 /nfs/dbraw/zinc/89/79/49/728897949.db2.gz XGITUYJSZSCCCR-AEFFLSMTSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985745828 724850658 /nfs/dbraw/zinc/85/06/58/724850658.db2.gz IHMZKLAEIPBJFH-HXUWFJFHSA-N 2 1 329.488 2.572 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985752043 724857469 /nfs/dbraw/zinc/85/74/69/724857469.db2.gz QUSYAJRYWDCTNQ-RDJZCZTQSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067688 728938418 /nfs/dbraw/zinc/93/84/18/728938418.db2.gz YWHMETGZULPFLV-AEFFLSMTSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987105060 725509172 /nfs/dbraw/zinc/50/91/72/725509172.db2.gz WRGKMRLQXWXKHJ-LSDHHAIUSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992292920 725684292 /nfs/dbraw/zinc/68/42/92/725684292.db2.gz DTGHQNUNHMOBKP-NLWGTHIKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364473 725747425 /nfs/dbraw/zinc/74/74/25/725747425.db2.gz ARXOZBQOWKVVAM-ICSRJNTNSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040756502 726411334 /nfs/dbraw/zinc/41/13/34/726411334.db2.gz CORBVHHKYWWDNC-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391585 727193789 /nfs/dbraw/zinc/19/37/89/727193789.db2.gz GWDOUFQDWGEQOT-HOCLYGCPSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391585 727193793 /nfs/dbraw/zinc/19/37/93/727193793.db2.gz GWDOUFQDWGEQOT-HOCLYGCPSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498551 727284009 /nfs/dbraw/zinc/28/40/09/727284009.db2.gz FYBWOUUHEGIBCZ-YJBOKZPZSA-N 2 1 326.444 2.802 20 30 EFEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccc3cncn3c2C)[C@@H]1C ZINC000993535402 727300066 /nfs/dbraw/zinc/30/00/66/727300066.db2.gz UERWHODLCKKVDK-WMLDXEAASA-N 2 1 346.862 2.978 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993804545 727526700 /nfs/dbraw/zinc/52/67/00/727526700.db2.gz LCOZKFJLICEJMP-XLIONFOSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012638 727580173 /nfs/dbraw/zinc/58/01/73/727580173.db2.gz VWOMLYFCWICMIV-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994269461 727706778 /nfs/dbraw/zinc/70/67/78/727706778.db2.gz PRVSKOXAILMKFL-DOTOQJQBSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994269461 727706779 /nfs/dbraw/zinc/70/67/79/727706779.db2.gz PRVSKOXAILMKFL-DOTOQJQBSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994471553 727762593 /nfs/dbraw/zinc/76/25/93/727762593.db2.gz LGFOVAHEIDDLTM-WBVHZDCISA-N 2 1 333.476 2.890 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994469454 727762719 /nfs/dbraw/zinc/76/27/19/727762719.db2.gz JIKXNVRTZZXMKU-SJLPKXTDSA-N 2 1 345.487 2.727 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994503335 727772988 /nfs/dbraw/zinc/77/29/88/727772988.db2.gz VHXDRASYZLPVDV-APWZRJJASA-N 2 1 329.488 2.907 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098904 728300528 /nfs/dbraw/zinc/30/05/28/728300528.db2.gz CNPZIEKGXFQLCO-ZBFHGGJFSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771291 728311310 /nfs/dbraw/zinc/31/13/10/728311310.db2.gz JGXJDAPFQBOHOS-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771291 728311314 /nfs/dbraw/zinc/31/13/14/728311314.db2.gz JGXJDAPFQBOHOS-SJORKVTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765622 728364505 /nfs/dbraw/zinc/36/45/05/728364505.db2.gz ABEYDTXPJJBEID-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000948765622 728364506 /nfs/dbraw/zinc/36/45/06/728364506.db2.gz ABEYDTXPJJBEID-QFBILLFUSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765625 728364522 /nfs/dbraw/zinc/36/45/22/728364522.db2.gz ABEYDTXPJJBEID-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000948765625 728364524 /nfs/dbraw/zinc/36/45/24/728364524.db2.gz ABEYDTXPJJBEID-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942204371 728364599 /nfs/dbraw/zinc/36/45/99/728364599.db2.gz NTBFEWXWXMFOPE-YVEFUNNKSA-N 2 1 346.862 2.835 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942204371 728364600 /nfs/dbraw/zinc/36/46/00/728364600.db2.gz NTBFEWXWXMFOPE-YVEFUNNKSA-N 2 1 346.862 2.835 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205688 728366102 /nfs/dbraw/zinc/36/61/02/728366102.db2.gz VQLVWXJAVRFECW-KSSFIOAISA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205682 728366124 /nfs/dbraw/zinc/36/61/24/728366124.db2.gz VQKHLFUXMBQXIM-KBXCAEBGSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205683 728366207 /nfs/dbraw/zinc/36/62/07/728366207.db2.gz VQKHLFUXMBQXIM-KDOFPFPSSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435464 728417933 /nfs/dbraw/zinc/41/79/33/728417933.db2.gz LTUIDDHQLJNPPW-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435464 728417935 /nfs/dbraw/zinc/41/79/35/728417935.db2.gz LTUIDDHQLJNPPW-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435464 728417937 /nfs/dbraw/zinc/41/79/37/728417937.db2.gz LTUIDDHQLJNPPW-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570478314 1086270712 /nfs/dbraw/zinc/27/07/12/1086270712.db2.gz NIICHSALRPUZIS-OALUTQOASA-N 2 1 329.488 2.618 20 30 EFEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570478314 1086270720 /nfs/dbraw/zinc/27/07/20/1086270720.db2.gz NIICHSALRPUZIS-OALUTQOASA-N 2 1 329.488 2.618 20 30 EFEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001574867010 1088130958 /nfs/dbraw/zinc/13/09/58/1088130958.db2.gz NNOJBNSAPLWFMJ-SJORKVTESA-N 2 1 346.523 2.589 20 30 EFEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001574867007 1088131186 /nfs/dbraw/zinc/13/11/86/1088131186.db2.gz NNOJBNSAPLWFMJ-IRXDYDNUSA-N 2 1 346.523 2.589 20 30 EFEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892411 1088140888 /nfs/dbraw/zinc/14/08/88/1088140888.db2.gz CSITVFMKWQUNLP-FBBABVLZSA-N 2 1 341.499 2.569 20 30 EFEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892414 1088142712 /nfs/dbraw/zinc/14/27/12/1088142712.db2.gz CSITVFMKWQUNLP-YFVAEKQCSA-N 2 1 341.499 2.569 20 30 EFEDMP C=CC[C@]1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574897208 1088144047 /nfs/dbraw/zinc/14/40/47/1088144047.db2.gz IBAGXJNSQMXGLE-HXUWFJFHSA-N 2 1 327.472 2.960 20 30 EFEDMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001576446090 1089246719 /nfs/dbraw/zinc/24/67/19/1089246719.db2.gz JVYFQBPIOZJJGF-UHFFFAOYSA-N 2 1 346.500 2.511 20 30 EFEDMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001576446090 1089246730 /nfs/dbraw/zinc/24/67/30/1089246730.db2.gz JVYFQBPIOZJJGF-UHFFFAOYSA-N 2 1 346.500 2.511 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449681 1092861748 /nfs/dbraw/zinc/86/17/48/1092861748.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449681 1092861759 /nfs/dbraw/zinc/86/17/59/1092861759.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449681 1092861764 /nfs/dbraw/zinc/86/17/64/1092861764.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075453773 1093037915 /nfs/dbraw/zinc/03/79/15/1093037915.db2.gz AUAHHBWXJGSXIW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453773 1093037920 /nfs/dbraw/zinc/03/79/20/1093037920.db2.gz AUAHHBWXJGSXIW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453773 1093037929 /nfs/dbraw/zinc/03/79/29/1093037929.db2.gz AUAHHBWXJGSXIW-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454285 1093047195 /nfs/dbraw/zinc/04/71/95/1093047195.db2.gz PKSXZBCXMSQFNB-QWFCFKBJSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454285 1093047201 /nfs/dbraw/zinc/04/72/01/1093047201.db2.gz PKSXZBCXMSQFNB-QWFCFKBJSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454285 1093047206 /nfs/dbraw/zinc/04/72/06/1093047206.db2.gz PKSXZBCXMSQFNB-QWFCFKBJSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229490 /nfs/dbraw/zinc/22/94/90/1093229490.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229499 /nfs/dbraw/zinc/22/94/99/1093229499.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229506 /nfs/dbraw/zinc/22/95/06/1093229506.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461325 1093315513 /nfs/dbraw/zinc/31/55/13/1093315513.db2.gz CRIPNYQTSGJLSC-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461325 1093315518 /nfs/dbraw/zinc/31/55/18/1093315518.db2.gz CRIPNYQTSGJLSC-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461325 1093315525 /nfs/dbraw/zinc/31/55/25/1093315525.db2.gz CRIPNYQTSGJLSC-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461462 1093319443 /nfs/dbraw/zinc/31/94/43/1093319443.db2.gz HVELORPUXYXSHE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461462 1093319447 /nfs/dbraw/zinc/31/94/47/1093319447.db2.gz HVELORPUXYXSHE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461462 1093319457 /nfs/dbraw/zinc/31/94/57/1093319457.db2.gz HVELORPUXYXSHE-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623580 1094394184 /nfs/dbraw/zinc/39/41/84/1094394184.db2.gz MCZDTCPXGZHWLD-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710391 1094400490 /nfs/dbraw/zinc/40/04/90/1094400490.db2.gz JHAUGYFESZGOLH-IBGZPJMESA-N 2 1 341.499 2.579 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683870 1094631907 /nfs/dbraw/zinc/63/19/07/1094631907.db2.gz RBMRJFIIJXGGJQ-QZTJIDSGSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530520 1094880435 /nfs/dbraw/zinc/88/04/35/1094880435.db2.gz YGIONYNDVNMDLD-RXVVDRJESA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421022 1095119062 /nfs/dbraw/zinc/11/90/62/1095119062.db2.gz YSTNHPOYDSPNCW-LSDHHAIUSA-N 2 1 341.927 2.734 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306278 1095191858 /nfs/dbraw/zinc/19/18/58/1095191858.db2.gz GWVXAZAXRYUFLZ-NZSAHSFTSA-N 2 1 333.520 2.510 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311793 1095253317 /nfs/dbraw/zinc/25/33/17/1095253317.db2.gz URUGWKUZXGPZAQ-QYZOEREBSA-N 2 1 347.547 2.898 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087311791 1095254136 /nfs/dbraw/zinc/25/41/36/1095254136.db2.gz URUGWKUZXGPZAQ-GUDVDZBRSA-N 2 1 347.547 2.898 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167833972 1095285959 /nfs/dbraw/zinc/28/59/59/1095285959.db2.gz GUJCKOUFKDNAQK-SJORKVTESA-N 2 1 325.497 2.874 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914392 1095617963 /nfs/dbraw/zinc/61/79/63/1095617963.db2.gz JNXPDAGEGPJYON-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753456 1095672536 /nfs/dbraw/zinc/67/25/36/1095672536.db2.gz BRFZMLPKTKSBBB-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087437399 1096021273 /nfs/dbraw/zinc/02/12/73/1096021273.db2.gz PUCHTRYXGHVLIC-DFQSSKMNSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087437399 1096021282 /nfs/dbraw/zinc/02/12/82/1096021282.db2.gz PUCHTRYXGHVLIC-DFQSSKMNSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087437399 1096021303 /nfs/dbraw/zinc/02/13/03/1096021303.db2.gz PUCHTRYXGHVLIC-DFQSSKMNSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087437399 1096021312 /nfs/dbraw/zinc/02/13/12/1096021312.db2.gz PUCHTRYXGHVLIC-DFQSSKMNSA-N 2 1 341.499 2.631 20 30 EFEDMP N#Cc1c(Cl)nc2cccc(F)c2c1NC(=[NH2+])NCCCC[NH3+] ZINC001167880436 1096144623 /nfs/dbraw/zinc/14/46/23/1096144623.db2.gz NTRURYDCGWRGIE-UHFFFAOYSA-N 2 1 334.786 2.574 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711379 1096251476 /nfs/dbraw/zinc/25/14/76/1096251476.db2.gz GWRGTZGZXYWPRR-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481940457 1096971545 /nfs/dbraw/zinc/97/15/45/1096971545.db2.gz IAGNHUALAJAWQD-QGZVFWFLSA-N 2 1 329.916 2.591 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(Br)c1 ZINC001222531955 1099091559 /nfs/dbraw/zinc/09/15/59/1099091559.db2.gz GVWHUJVDTJFXEN-UHFFFAOYSA-N 2 1 326.213 2.584 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067670 1099555110 /nfs/dbraw/zinc/55/51/10/1099555110.db2.gz OMKAZKUZTQZRCB-BHIYHBOVSA-N 2 1 329.488 2.550 20 30 EFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087422901 1099707895 /nfs/dbraw/zinc/70/78/95/1099707895.db2.gz AOROWLRZBIDCPH-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087422901 1099707902 /nfs/dbraw/zinc/70/79/02/1099707902.db2.gz AOROWLRZBIDCPH-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087422901 1099707906 /nfs/dbraw/zinc/70/79/06/1099707906.db2.gz AOROWLRZBIDCPH-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087423058 1099712613 /nfs/dbraw/zinc/71/26/13/1099712613.db2.gz INRFGZAVEBODDA-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423058 1099712617 /nfs/dbraw/zinc/71/26/17/1099712617.db2.gz INRFGZAVEBODDA-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423058 1099712623 /nfs/dbraw/zinc/71/26/23/1099712623.db2.gz INRFGZAVEBODDA-VAMGGRTRSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105393619 1100268798 /nfs/dbraw/zinc/26/87/98/1100268798.db2.gz CXCMEWOQDKPFKN-GOSISDBHSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105393620 1100269309 /nfs/dbraw/zinc/26/93/09/1100269309.db2.gz CXCMEWOQDKPFKN-SFHVURJKSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811720 1100501860 /nfs/dbraw/zinc/50/18/60/1100501860.db2.gz BLJLJDDLRNMXSQ-IXDOHACOSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811720 1100501866 /nfs/dbraw/zinc/50/18/66/1100501866.db2.gz BLJLJDDLRNMXSQ-IXDOHACOSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811922 1100507936 /nfs/dbraw/zinc/50/79/36/1100507936.db2.gz LVZSQYRNKIKOFQ-FGTMMUONSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811922 1100507941 /nfs/dbraw/zinc/50/79/41/1100507941.db2.gz LVZSQYRNKIKOFQ-FGTMMUONSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395792 1100558925 /nfs/dbraw/zinc/55/89/25/1100558925.db2.gz FMDKYJZKNCUDOP-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598518 1100578209 /nfs/dbraw/zinc/57/82/09/1100578209.db2.gz MQMITUMMIHBEQA-CEXWTWQISA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598518 1100578215 /nfs/dbraw/zinc/57/82/15/1100578215.db2.gz MQMITUMMIHBEQA-CEXWTWQISA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598518 1100578219 /nfs/dbraw/zinc/57/82/19/1100578219.db2.gz MQMITUMMIHBEQA-CEXWTWQISA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671871 1100652723 /nfs/dbraw/zinc/65/27/23/1100652723.db2.gz UJVZWYILFACFLL-IPMKNSEASA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971792 1101104151 /nfs/dbraw/zinc/10/41/51/1101104151.db2.gz UCEDBDHJNXRGHP-KSZLIROESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971792 1101104155 /nfs/dbraw/zinc/10/41/55/1101104155.db2.gz UCEDBDHJNXRGHP-KSZLIROESA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994088 1101163905 /nfs/dbraw/zinc/16/39/05/1101163905.db2.gz QMYGMIRLKXZXGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994088 1101163908 /nfs/dbraw/zinc/16/39/08/1101163908.db2.gz QMYGMIRLKXZXGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994088 1101163914 /nfs/dbraw/zinc/16/39/14/1101163914.db2.gz QMYGMIRLKXZXGS-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994056 1101164605 /nfs/dbraw/zinc/16/46/05/1101164605.db2.gz PJQXYYUDVFSDGA-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994056 1101164609 /nfs/dbraw/zinc/16/46/09/1101164609.db2.gz PJQXYYUDVFSDGA-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994056 1101164611 /nfs/dbraw/zinc/16/46/11/1101164611.db2.gz PJQXYYUDVFSDGA-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993835 1101168495 /nfs/dbraw/zinc/16/84/95/1101168495.db2.gz GAYWTINEFRXWIQ-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993835 1101168497 /nfs/dbraw/zinc/16/84/97/1101168497.db2.gz GAYWTINEFRXWIQ-FGTMMUONSA-N 2 1 342.487 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078524 1101386772 /nfs/dbraw/zinc/38/67/72/1101386772.db2.gz KXWMQAHMPIWPKO-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078524 1101386782 /nfs/dbraw/zinc/38/67/82/1101386782.db2.gz KXWMQAHMPIWPKO-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078524 1101386795 /nfs/dbraw/zinc/38/67/95/1101386795.db2.gz KXWMQAHMPIWPKO-WSTZPKSXSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208603552 1101398363 /nfs/dbraw/zinc/39/83/63/1101398363.db2.gz DJDJHRWBAWOSKC-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)CC1 ZINC001208603552 1101398369 /nfs/dbraw/zinc/39/83/69/1101398369.db2.gz DJDJHRWBAWOSKC-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)CC1 ZINC001208603552 1101398373 /nfs/dbraw/zinc/39/83/73/1101398373.db2.gz DJDJHRWBAWOSKC-GOSISDBHSA-N 2 1 349.519 2.829 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104306314 1101519547 /nfs/dbraw/zinc/51/95/47/1101519547.db2.gz XMBZRDSHSMGOOV-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104306314 1101519550 /nfs/dbraw/zinc/51/95/50/1101519550.db2.gz XMBZRDSHSMGOOV-QRVBRYPASA-N 2 1 347.547 2.594 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681396 1101560390 /nfs/dbraw/zinc/56/03/90/1101560390.db2.gz GVOVWDYACRNVDM-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681393 1101560610 /nfs/dbraw/zinc/56/06/10/1101560610.db2.gz GVOVWDYACRNVDM-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426593 1101583427 /nfs/dbraw/zinc/58/34/27/1101583427.db2.gz UVBMWBCFBRSKJY-ZWKOTPCHSA-N 2 1 333.520 2.846 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426590 1101584333 /nfs/dbraw/zinc/58/43/33/1101584333.db2.gz UVBMWBCFBRSKJY-MSOLQXFVSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426615 1101585532 /nfs/dbraw/zinc/58/55/32/1101585532.db2.gz VNORCZFTNAEWPA-ZWKOTPCHSA-N 2 1 333.520 2.846 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623552 /nfs/dbraw/zinc/62/35/52/1101623552.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623554 /nfs/dbraw/zinc/62/35/54/1101623554.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623556 /nfs/dbraw/zinc/62/35/56/1101623556.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142147 1101663267 /nfs/dbraw/zinc/66/32/67/1101663267.db2.gz VBTFZWNFHHDPID-UXHICEINSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437983 1101737868 /nfs/dbraw/zinc/73/78/68/1101737868.db2.gz LCYBYJOGGXCNCY-HZPDHXFCSA-N 2 1 339.911 2.632 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173035 1101789172 /nfs/dbraw/zinc/78/91/72/1101789172.db2.gz PESRFUHFFCOQEF-SJORKVTESA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173035 1101789180 /nfs/dbraw/zinc/78/91/80/1101789180.db2.gz PESRFUHFFCOQEF-SJORKVTESA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212602 1101891250 /nfs/dbraw/zinc/89/12/50/1101891250.db2.gz CDAKGPCRWOBSJB-AABGKKOBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212918 1101893236 /nfs/dbraw/zinc/89/32/36/1101893236.db2.gz AUBGQZMPYAGTMW-AABGKKOBSA-N 2 1 341.499 2.646 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088212918 1101893249 /nfs/dbraw/zinc/89/32/49/1101893249.db2.gz AUBGQZMPYAGTMW-AABGKKOBSA-N 2 1 341.499 2.646 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458421 1102002114 /nfs/dbraw/zinc/00/21/14/1102002114.db2.gz DZQCAWKTUDNFRT-UHFFFAOYSA-N 2 1 332.492 2.814 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001088316408 1102870868 /nfs/dbraw/zinc/87/08/68/1102870868.db2.gz ZHPPBNBUEUGBDN-IAGOWNOFSA-N 2 1 332.492 2.943 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369635 1103202963 /nfs/dbraw/zinc/20/29/63/1103202963.db2.gz OREGXGALDQLEQO-ULQDDVLXSA-N 2 1 341.927 2.830 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378849 1104127797 /nfs/dbraw/zinc/12/77/97/1104127797.db2.gz XDZRSSTXPNZQIC-OAQYLSRUSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379703 1104131604 /nfs/dbraw/zinc/13/16/04/1104131604.db2.gz ODFWQGAPNXNVDK-UXHICEINSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001665001286 1104610675 /nfs/dbraw/zinc/61/06/75/1104610675.db2.gz TVJJHBDEHYPGTD-QZTJIDSGSA-N 2 1 344.503 2.773 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600415 1104843374 /nfs/dbraw/zinc/84/33/74/1104843374.db2.gz OVKQWOWBDFCEGC-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600415 1104843382 /nfs/dbraw/zinc/84/33/82/1104843382.db2.gz OVKQWOWBDFCEGC-ZBFHGGJFSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523231 /nfs/dbraw/zinc/52/32/31/1105523231.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 1 339.911 2.725 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588797 /nfs/dbraw/zinc/58/87/97/1105588797.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 1 343.515 2.554 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230259 1105684565 /nfs/dbraw/zinc/68/45/65/1105684565.db2.gz ANPDAOJVFKGGMX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230259 1105684569 /nfs/dbraw/zinc/68/45/69/1105684569.db2.gz ANPDAOJVFKGGMX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230259 1105684571 /nfs/dbraw/zinc/68/45/71/1105684571.db2.gz ANPDAOJVFKGGMX-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536926 1105905735 /nfs/dbraw/zinc/90/57/35/1105905735.db2.gz KUFAEEUSUZBTRM-RTBURBONSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549203 1105919504 /nfs/dbraw/zinc/91/95/04/1105919504.db2.gz DGBYLYRKVNCVRZ-GOSISDBHSA-N 2 1 344.503 2.909 20 30 EFEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544638 1105922353 /nfs/dbraw/zinc/92/23/53/1105922353.db2.gz OYKCUYOOGRQIQY-RBUKOAKNSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105564222 1105934388 /nfs/dbraw/zinc/93/43/88/1105934388.db2.gz XZDBNVMOSYWDDG-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563162 1105942062 /nfs/dbraw/zinc/94/20/62/1105942062.db2.gz GADLRHLQDUMRRJ-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577668 1105966884 /nfs/dbraw/zinc/96/68/84/1105966884.db2.gz YHWPOZBKBWQIQY-QGZVFWFLSA-N 2 1 330.476 2.519 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458693 1106283809 /nfs/dbraw/zinc/28/38/09/1106283809.db2.gz LHSQNNXAEWEVFJ-NRFANRHFSA-N 2 1 343.515 2.964 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458693 1106283811 /nfs/dbraw/zinc/28/38/11/1106283811.db2.gz LHSQNNXAEWEVFJ-NRFANRHFSA-N 2 1 343.515 2.964 20 30 EFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743360 1106623340 /nfs/dbraw/zinc/62/33/40/1106623340.db2.gz LCKGFVOBIWVDDE-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743360 1106623342 /nfs/dbraw/zinc/62/33/42/1106623342.db2.gz LCKGFVOBIWVDDE-LJQANCHMSA-N 2 1 329.488 2.790 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319776 1106688279 /nfs/dbraw/zinc/68/82/79/1106688279.db2.gz XXWICLPRTWJIFF-TUNPWDSISA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CCC([NH+](C)C)CC1)CCO2 ZINC001168323154 1106729333 /nfs/dbraw/zinc/72/93/33/1106729333.db2.gz SGGMJCFPHMMVEQ-DCCYDQLOSA-N 2 1 336.520 2.933 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750706 /nfs/dbraw/zinc/75/07/06/1106750706.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750719 /nfs/dbraw/zinc/75/07/19/1106750719.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750728 /nfs/dbraw/zinc/75/07/28/1106750728.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 2 1 339.499 2.744 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250466 1107688890 /nfs/dbraw/zinc/68/88/90/1107688890.db2.gz QPEUIHSBQXWMOQ-WMZOPIPTSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250466 1107688900 /nfs/dbraw/zinc/68/89/00/1107688900.db2.gz QPEUIHSBQXWMOQ-WMZOPIPTSA-N 2 1 341.927 2.640 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099131234 1107912455 /nfs/dbraw/zinc/91/24/55/1107912455.db2.gz YORLDUWTZYIWJJ-GOSISDBHSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131234 1107912458 /nfs/dbraw/zinc/91/24/58/1107912458.db2.gz YORLDUWTZYIWJJ-GOSISDBHSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131234 1107912464 /nfs/dbraw/zinc/91/24/64/1107912464.db2.gz YORLDUWTZYIWJJ-GOSISDBHSA-N 2 1 347.547 2.879 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133499 1108541861 /nfs/dbraw/zinc/54/18/61/1108541861.db2.gz JZTDAKXIKAWCPF-CEXWTWQISA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329924 1109296131 /nfs/dbraw/zinc/29/61/31/1109296131.db2.gz XVMYMNBIRLAMNP-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418891 1109822014 /nfs/dbraw/zinc/82/20/14/1109822014.db2.gz UTFZESWZTKQGLK-RBUKOAKNSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249238 1111218667 /nfs/dbraw/zinc/21/86/67/1111218667.db2.gz DHLRHYLKMCGLBT-OIISXLGYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249636 1111219429 /nfs/dbraw/zinc/21/94/29/1111219429.db2.gz LSFYUABRKKBAEL-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCC=C)[C@H](C)C1 ZINC001106266619 1111260989 /nfs/dbraw/zinc/26/09/89/1111260989.db2.gz UHUACHUABZBRJW-AQNXPRMDSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCC=C)[C@H](C)C1 ZINC001106266619 1111260994 /nfs/dbraw/zinc/26/09/94/1111260994.db2.gz UHUACHUABZBRJW-AQNXPRMDSA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357935 1111455098 /nfs/dbraw/zinc/45/50/98/1111455098.db2.gz QIIWREDVGRJVJS-GUDVDZBRSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229210 1111563440 /nfs/dbraw/zinc/56/34/40/1111563440.db2.gz HRIRHULITQGTIT-QZTJIDSGSA-N 2 1 335.536 2.737 20 30 EFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106726917 1111766925 /nfs/dbraw/zinc/76/69/25/1111766925.db2.gz CSHFLXRGCMMQMG-IAGOWNOFSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310450 1112008640 /nfs/dbraw/zinc/00/86/40/1112008640.db2.gz MTOQWYQPCDQTHM-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310450 1112008644 /nfs/dbraw/zinc/00/86/44/1112008644.db2.gz MTOQWYQPCDQTHM-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310450 1112008647 /nfs/dbraw/zinc/00/86/47/1112008647.db2.gz MTOQWYQPCDQTHM-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386651 1112048162 /nfs/dbraw/zinc/04/81/62/1112048162.db2.gz RXVNZAOMNLDXLE-OALUTQOASA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386068 1112049564 /nfs/dbraw/zinc/04/95/64/1112049564.db2.gz MKPVWUNSFWZNKJ-QZTJIDSGSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402427 1112072973 /nfs/dbraw/zinc/07/29/73/1112072973.db2.gz GRPDNMQYGIAAMR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402427 1112072978 /nfs/dbraw/zinc/07/29/78/1112072978.db2.gz GRPDNMQYGIAAMR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402427 1112072983 /nfs/dbraw/zinc/07/29/83/1112072983.db2.gz GRPDNMQYGIAAMR-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407241 1112079801 /nfs/dbraw/zinc/07/98/01/1112079801.db2.gz XIIYWNFJVWZICO-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407241 1112079806 /nfs/dbraw/zinc/07/98/06/1112079806.db2.gz XIIYWNFJVWZICO-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407241 1112079810 /nfs/dbraw/zinc/07/98/10/1112079810.db2.gz XIIYWNFJVWZICO-RTBURBONSA-N 2 1 347.547 2.879 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423357 1112107485 /nfs/dbraw/zinc/10/74/85/1112107485.db2.gz ILILBRUQIYKFRA-SJORKVTESA-N 2 1 344.503 2.628 20 30 EFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441636 1112149720 /nfs/dbraw/zinc/14/97/20/1112149720.db2.gz JGYGVOYCCJMMQN-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442736 1112149767 /nfs/dbraw/zinc/14/97/67/1112149767.db2.gz RUICOFMZBIROCW-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442736 1112149770 /nfs/dbraw/zinc/14/97/70/1112149770.db2.gz RUICOFMZBIROCW-KRWDZBQOSA-N 2 1 332.492 2.765 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441124 1112149979 /nfs/dbraw/zinc/14/99/79/1112149979.db2.gz FRCOMMNPUVTVCD-QGZVFWFLSA-N 2 1 338.455 2.578 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)CC(C)(C)C1 ZINC001089440894 1112150084 /nfs/dbraw/zinc/15/00/84/1112150084.db2.gz CUPIQRYJHZRHRM-OAHLLOKOSA-N 2 1 326.444 2.741 20 30 EFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472722 1112194548 /nfs/dbraw/zinc/19/45/48/1112194548.db2.gz NWDYYSHSTXLHRL-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472722 1112194551 /nfs/dbraw/zinc/19/45/51/1112194551.db2.gz NWDYYSHSTXLHRL-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472722 1112194553 /nfs/dbraw/zinc/19/45/53/1112194553.db2.gz NWDYYSHSTXLHRL-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475942 1112198366 /nfs/dbraw/zinc/19/83/66/1112198366.db2.gz CQMHELQHTFJXRB-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475942 1112198369 /nfs/dbraw/zinc/19/83/69/1112198369.db2.gz CQMHELQHTFJXRB-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475942 1112198372 /nfs/dbraw/zinc/19/83/72/1112198372.db2.gz CQMHELQHTFJXRB-BZSNNMDCSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484633 1112217746 /nfs/dbraw/zinc/21/77/46/1112217746.db2.gz YWEAAPTYOWABGC-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509884 1112259504 /nfs/dbraw/zinc/25/95/04/1112259504.db2.gz KHTIORLFDUYLLB-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510305 1112260266 /nfs/dbraw/zinc/26/02/66/1112260266.db2.gz QMWLSTUUEHBBNB-MOPGFXCFSA-N 2 1 347.547 2.881 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538295 1112283668 /nfs/dbraw/zinc/28/36/68/1112283668.db2.gz ALBFSAQMRMRRSL-QGZVFWFLSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)CC(C)(C)C1 ZINC001089560561 1112309130 /nfs/dbraw/zinc/30/91/30/1112309130.db2.gz AMMWUXYKWVVRQP-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560561 1112309135 /nfs/dbraw/zinc/30/91/35/1112309135.db2.gz AMMWUXYKWVVRQP-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560561 1112309139 /nfs/dbraw/zinc/30/91/39/1112309139.db2.gz AMMWUXYKWVVRQP-QGZVFWFLSA-N 2 1 332.492 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641780 1112434739 /nfs/dbraw/zinc/43/47/39/1112434739.db2.gz SPFVDUOZZFMXEF-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642220 1112435299 /nfs/dbraw/zinc/43/52/99/1112435299.db2.gz FNCFJLDCKTZYRE-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642220 1112435301 /nfs/dbraw/zinc/43/53/01/1112435301.db2.gz FNCFJLDCKTZYRE-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642220 1112435302 /nfs/dbraw/zinc/43/53/02/1112435302.db2.gz FNCFJLDCKTZYRE-FGTMMUONSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649140 1112464358 /nfs/dbraw/zinc/46/43/58/1112464358.db2.gz BZFGDQYOWQVSEQ-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649140 1112464361 /nfs/dbraw/zinc/46/43/61/1112464361.db2.gz BZFGDQYOWQVSEQ-ROUUACIJSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649139 1112464523 /nfs/dbraw/zinc/46/45/23/1112464523.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649139 1112464524 /nfs/dbraw/zinc/46/45/24/1112464524.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649139 1112464526 /nfs/dbraw/zinc/46/45/26/1112464526.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650079 1112474885 /nfs/dbraw/zinc/47/48/85/1112474885.db2.gz UFKDSXJQKUGCOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089650079 1112474886 /nfs/dbraw/zinc/47/48/86/1112474886.db2.gz UFKDSXJQKUGCOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089650079 1112474889 /nfs/dbraw/zinc/47/48/89/1112474889.db2.gz UFKDSXJQKUGCOU-MOPGFXCFSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660262 1112593126 /nfs/dbraw/zinc/59/31/26/1112593126.db2.gz GAQUXUJMQBCBFK-IRXDYDNUSA-N 2 1 344.503 2.628 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663847 1112606993 /nfs/dbraw/zinc/60/69/93/1112606993.db2.gz WNBJFWMHWYUXDH-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663847 1112606994 /nfs/dbraw/zinc/60/69/94/1112606994.db2.gz WNBJFWMHWYUXDH-QZTJIDSGSA-N 2 1 335.536 2.900 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664300 1112613811 /nfs/dbraw/zinc/61/38/11/1112613811.db2.gz IWDBMFBZTOGBFH-KRWDZBQOSA-N 2 1 338.455 2.578 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664895 1112617982 /nfs/dbraw/zinc/61/79/82/1112617982.db2.gz QBEVKHGYSMJOQR-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705769 1112857879 /nfs/dbraw/zinc/85/78/79/1112857879.db2.gz JJBIZSRNCUQHCF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705769 1112857881 /nfs/dbraw/zinc/85/78/81/1112857881.db2.gz JJBIZSRNCUQHCF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705769 1112857886 /nfs/dbraw/zinc/85/78/86/1112857886.db2.gz JJBIZSRNCUQHCF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001089722398 1112948670 /nfs/dbraw/zinc/94/86/70/1112948670.db2.gz YHMLSVWSTLRWGY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001089722398 1112948674 /nfs/dbraw/zinc/94/86/74/1112948674.db2.gz YHMLSVWSTLRWGY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089722398 1112948678 /nfs/dbraw/zinc/94/86/78/1112948678.db2.gz YHMLSVWSTLRWGY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089722398 1112948682 /nfs/dbraw/zinc/94/86/82/1112948682.db2.gz YHMLSVWSTLRWGY-OALUTQOASA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725486 1112958455 /nfs/dbraw/zinc/95/84/55/1112958455.db2.gz ITCCRLMWERLGMV-HNNXBMFYSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725486 1112958458 /nfs/dbraw/zinc/95/84/58/1112958458.db2.gz ITCCRLMWERLGMV-HNNXBMFYSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820452 1117878195 /nfs/dbraw/zinc/87/81/95/1117878195.db2.gz MRAMZYJSNPGDDG-MANSERQUSA-N 2 1 345.531 2.606 20 30 EFEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040911982 1118035874 /nfs/dbraw/zinc/03/58/74/1118035874.db2.gz JUKAKGGBAKZELE-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272701960 1118661520 /nfs/dbraw/zinc/66/15/20/1118661520.db2.gz MFBWMUJHIDBUPZ-HXUWFJFHSA-N 2 1 349.519 2.526 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(CC)CC)CC1 ZINC000948450029 1118921613 /nfs/dbraw/zinc/92/16/13/1118921613.db2.gz ZGEPSBNWDJMUQN-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC000948450029 1118921615 /nfs/dbraw/zinc/92/16/15/1118921615.db2.gz ZGEPSBNWDJMUQN-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(CC)CC)CC1 ZINC000948450029 1118921617 /nfs/dbraw/zinc/92/16/17/1118921617.db2.gz ZGEPSBNWDJMUQN-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(CC)CC)CC1 ZINC000948450029 1118921618 /nfs/dbraw/zinc/92/16/18/1118921618.db2.gz ZGEPSBNWDJMUQN-UXHICEINSA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942528986 1118929962 /nfs/dbraw/zinc/92/99/62/1118929962.db2.gz CWIYMIIFQVOKLN-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474626 1119048830 /nfs/dbraw/zinc/04/88/30/1119048830.db2.gz XYDFXFFIQKWVFX-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942723994 1119087025 /nfs/dbraw/zinc/08/70/25/1119087025.db2.gz RUTQPGZLMIPUCK-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943288250 1119400905 /nfs/dbraw/zinc/40/09/05/1119400905.db2.gz LSWIPSFWJGFVCJ-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943288250 1119400909 /nfs/dbraw/zinc/40/09/09/1119400909.db2.gz LSWIPSFWJGFVCJ-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877732 1119759021 /nfs/dbraw/zinc/75/90/21/1119759021.db2.gz PIIXMOVZERUVBW-WMLDXEAASA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877732 1119759025 /nfs/dbraw/zinc/75/90/25/1119759025.db2.gz PIIXMOVZERUVBW-WMLDXEAASA-N 2 1 341.927 2.686 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875569 1119765994 /nfs/dbraw/zinc/76/59/94/1119765994.db2.gz DTGHDUHETSWDRC-LPHOPBHVSA-N 2 1 338.455 2.889 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875266 1119766025 /nfs/dbraw/zinc/76/60/25/1119766025.db2.gz CVPYFFILRXAFIV-LPHOPBHVSA-N 2 1 338.455 2.889 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944044868 1119890760 /nfs/dbraw/zinc/89/07/60/1119890760.db2.gz AWKKKVLCUVRXCO-QFBILLFUSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167330 1119975616 /nfs/dbraw/zinc/97/56/16/1119975616.db2.gz COIFZGSOVBPSKW-NVXWUHKLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167330 1119975617 /nfs/dbraw/zinc/97/56/17/1119975617.db2.gz COIFZGSOVBPSKW-NVXWUHKLSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107038693 1120043446 /nfs/dbraw/zinc/04/34/46/1120043446.db2.gz DKJLZIWTZMXSDT-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028594 1120519113 /nfs/dbraw/zinc/51/91/13/1120519113.db2.gz KAEHQECSCMLUQU-KSSFIOAISA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029125 1120520922 /nfs/dbraw/zinc/52/09/22/1120520922.db2.gz QQMDVHAQGOUGQA-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031153 1120522758 /nfs/dbraw/zinc/52/27/58/1120522758.db2.gz ZFTZAFGILOEEAM-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945091558 1120567973 /nfs/dbraw/zinc/56/79/73/1120567973.db2.gz OKSKPUXTEYQHTH-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945094320 1120570828 /nfs/dbraw/zinc/57/08/28/1120570828.db2.gz WIDFLIRHVQYJMZ-KDOFPFPSSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945094320 1120570833 /nfs/dbraw/zinc/57/08/33/1120570833.db2.gz WIDFLIRHVQYJMZ-KDOFPFPSSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945094322 1120571202 /nfs/dbraw/zinc/57/12/02/1120571202.db2.gz WIDFLIRHVQYJMZ-KSSFIOAISA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945094322 1120571206 /nfs/dbraw/zinc/57/12/06/1120571206.db2.gz WIDFLIRHVQYJMZ-KSSFIOAISA-N 2 1 349.906 2.941 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(NCC[NH+]3CCCCC3)CC2)cc1 ZINC000181450398 234189133 /nfs/dbraw/zinc/18/91/33/234189133.db2.gz QTRRCWWHAYTUCY-UHFFFAOYSA-N 2 1 326.488 2.598 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369812049 283227853 /nfs/dbraw/zinc/22/78/53/283227853.db2.gz ZAGRWWFKKLOMIO-OAHLLOKOSA-N 2 1 346.500 2.756 20 30 EFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369812049 283227855 /nfs/dbraw/zinc/22/78/55/283227855.db2.gz ZAGRWWFKKLOMIO-OAHLLOKOSA-N 2 1 346.500 2.756 20 30 EFEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562959 240360010 /nfs/dbraw/zinc/36/00/10/240360010.db2.gz XANSZSJKDGTFFJ-RDJZCZTQSA-N 2 1 330.476 2.535 20 30 EFEDMP C[NH+]=C(NC1CCC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000262772631 240367287 /nfs/dbraw/zinc/36/72/87/240367287.db2.gz IHKADOUVNFAEQS-UHFFFAOYSA-N 2 1 336.430 2.647 20 30 EFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072803515 216307624 /nfs/dbraw/zinc/30/76/24/216307624.db2.gz KVLJAYLMZQKBMG-MRXNPFEDSA-N 2 1 328.460 2.551 20 30 EFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072823578 216311476 /nfs/dbraw/zinc/31/14/76/216311476.db2.gz BERMQAYYADNILH-KRWDZBQOSA-N 2 1 328.460 2.551 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246920243 240273688 /nfs/dbraw/zinc/27/36/88/240273688.db2.gz MSAXLDHFKSGCSM-AZUAARDMSA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246920243 240273696 /nfs/dbraw/zinc/27/36/96/240273696.db2.gz MSAXLDHFKSGCSM-AZUAARDMSA-N 2 1 344.499 2.573 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248058940 240286630 /nfs/dbraw/zinc/28/66/30/240286630.db2.gz XWNXHYRKYBHQGZ-AQNXPRMDSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248058940 240286637 /nfs/dbraw/zinc/28/66/37/240286637.db2.gz XWNXHYRKYBHQGZ-AQNXPRMDSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248058940 240286644 /nfs/dbraw/zinc/28/66/44/240286644.db2.gz XWNXHYRKYBHQGZ-AQNXPRMDSA-N 2 1 344.499 2.571 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000248180799 240288252 /nfs/dbraw/zinc/28/82/52/240288252.db2.gz WJGNCKWYSVBKJM-GHTZIAJQSA-N 2 1 342.531 2.922 20 30 EFEDMP CC[NH+]=C(NCc1ccc(F)cc1F)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261953326 240333895 /nfs/dbraw/zinc/33/38/95/240333895.db2.gz IBQQWJIXGPCWLR-SJKOYZFVSA-N 2 1 336.430 2.503 20 30 EFEDMP C[C@H](CCC#N)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298701057 241154867 /nfs/dbraw/zinc/15/48/67/241154867.db2.gz ZXSYFRBKUKLMED-UYAOXDASSA-N 2 1 326.488 2.571 20 30 EFEDMP C[C@H](CCC#N)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298701057 241154872 /nfs/dbraw/zinc/15/48/72/241154872.db2.gz ZXSYFRBKUKLMED-UYAOXDASSA-N 2 1 326.488 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354543650 242004079 /nfs/dbraw/zinc/00/40/79/242004079.db2.gz XWKFINNMQGCBGD-DFQSSKMNSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354543650 242004085 /nfs/dbraw/zinc/00/40/85/242004085.db2.gz XWKFINNMQGCBGD-DFQSSKMNSA-N 2 1 346.515 2.959 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354543650 242004088 /nfs/dbraw/zinc/00/40/88/242004088.db2.gz XWKFINNMQGCBGD-DFQSSKMNSA-N 2 1 346.515 2.959 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358161387 242114457 /nfs/dbraw/zinc/11/44/57/242114457.db2.gz XKWIXNVRQXFCAE-DLBZAZTESA-N 2 1 336.524 2.589 20 30 EFEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000358229175 242116075 /nfs/dbraw/zinc/11/60/75/242116075.db2.gz XFIMQVOVEFPZMR-UHFFFAOYSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000358229175 242116081 /nfs/dbraw/zinc/11/60/81/242116081.db2.gz XFIMQVOVEFPZMR-UHFFFAOYSA-N 2 1 329.488 2.664 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735780 244317276 /nfs/dbraw/zinc/31/72/76/244317276.db2.gz GZSTUNKSLGNEAZ-GVDBMIGSSA-N 2 1 340.475 2.599 20 30 EFEDMP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1F ZINC000262683030 533277337 /nfs/dbraw/zinc/27/73/37/533277337.db2.gz XCCPFVJYLXASRJ-CJNGLKHVSA-N 2 1 336.842 2.542 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343557419 145237524 /nfs/dbraw/zinc/23/75/24/145237524.db2.gz VRXSUDUHFTWPRE-FXAWDEMLSA-N 2 1 329.488 2.827 20 30 EFEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344133793 145375924 /nfs/dbraw/zinc/37/59/24/145375924.db2.gz YCQASTQBSQBAAM-UHFFFAOYSA-N 2 1 326.444 2.992 20 30 EFEDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344133793 145375925 /nfs/dbraw/zinc/37/59/25/145375925.db2.gz YCQASTQBSQBAAM-UHFFFAOYSA-N 2 1 326.444 2.992 20 30 EFEDMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942579 149280686 /nfs/dbraw/zinc/28/06/86/149280686.db2.gz IKMAUWVKRAGYAB-RBUKOAKNSA-N 2 1 335.455 2.675 20 30 EFEDMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000364942579 149280689 /nfs/dbraw/zinc/28/06/89/149280689.db2.gz IKMAUWVKRAGYAB-RBUKOAKNSA-N 2 1 335.455 2.675 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421725 151345012 /nfs/dbraw/zinc/34/50/12/151345012.db2.gz PFUXUTHLIUNEHE-HOJAQTOUSA-N 2 1 343.471 2.511 20 30 EFEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123114047 222218846 /nfs/dbraw/zinc/21/88/46/222218846.db2.gz YZTDMVCQQSPFCW-INIZCTEOSA-N 2 1 342.487 2.939 20 30 EFEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000123360592 222264148 /nfs/dbraw/zinc/26/41/48/222264148.db2.gz DFSKENMKFQQJPQ-UHFFFAOYSA-N 2 1 328.460 2.551 20 30 EFEDMP Cc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000487887235 269913216 /nfs/dbraw/zinc/91/32/16/269913216.db2.gz YFTYUMKNJSBDHM-KDURUIRLSA-N 2 1 340.515 2.857 20 30 EFEDMP Cc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000487887235 269913217 /nfs/dbraw/zinc/91/32/17/269913217.db2.gz YFTYUMKNJSBDHM-KDURUIRLSA-N 2 1 340.515 2.857 20 30 EFEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)nc(C)[nH+]1 ZINC000269461909 267336278 /nfs/dbraw/zinc/33/62/78/267336278.db2.gz YGJXYPWNTAAKKI-UHFFFAOYSA-N 2 1 339.418 2.863 20 30 EFEDMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000330297158 277112906 /nfs/dbraw/zinc/11/29/06/277112906.db2.gz KQZUFVHSUUGKPH-KRWDZBQOSA-N 2 1 345.491 2.686 20 30 EFEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000262492744 278218062 /nfs/dbraw/zinc/21/80/62/278218062.db2.gz JNLHHGIGPUAOHK-VYDXJSESSA-N 2 1 330.476 2.677 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079194 279329884 /nfs/dbraw/zinc/32/98/84/279329884.db2.gz SFTWPPSGZGMKIT-FQEVSTJZSA-N 2 1 328.504 2.715 20 30 EFEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000576911146 320059446 /nfs/dbraw/zinc/05/94/46/320059446.db2.gz IHWABEQNUWKZFB-IFMALSPDSA-N 2 1 347.462 2.902 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111613861 473219503 /nfs/dbraw/zinc/21/95/03/473219503.db2.gz CZKHQVQTXFONCM-QGZVFWFLSA-N 2 1 341.499 2.590 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111613861 473219506 /nfs/dbraw/zinc/21/95/06/473219506.db2.gz CZKHQVQTXFONCM-QGZVFWFLSA-N 2 1 341.499 2.590 20 30 EFEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536814 473310682 /nfs/dbraw/zinc/31/06/82/473310682.db2.gz DWAZMTPLBTXPRA-LJQANCHMSA-N 2 1 344.503 2.515 20 30 EFEDMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421359722 478051702 /nfs/dbraw/zinc/05/17/02/478051702.db2.gz XUHIFXMVVKNFQI-UHFFFAOYSA-N 2 1 342.418 2.713 20 30 EFEDMP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527584 478067976 /nfs/dbraw/zinc/06/79/76/478067976.db2.gz JZAWQEKEDNYCBB-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527584 478067984 /nfs/dbraw/zinc/06/79/84/478067984.db2.gz JZAWQEKEDNYCBB-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527584 478067990 /nfs/dbraw/zinc/06/79/90/478067990.db2.gz JZAWQEKEDNYCBB-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527584 478068000 /nfs/dbraw/zinc/06/80/00/478068000.db2.gz JZAWQEKEDNYCBB-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843961 472484349 /nfs/dbraw/zinc/48/43/49/472484349.db2.gz BLBYUHIBWBPFSK-KRWDZBQOSA-N 2 1 329.488 2.521 20 30 EFEDMP C[N@H+]1CCC[C@H]1CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148544 472638974 /nfs/dbraw/zinc/63/89/74/472638974.db2.gz KTXJXMYHNURQNK-SFHVURJKSA-N 2 1 349.482 2.713 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH+]Cc2ccccc2)N(C)C)cn1 ZINC000104165776 472658911 /nfs/dbraw/zinc/65/89/11/472658911.db2.gz RKTGVEFKMIKVAQ-UHFFFAOYSA-N 2 1 348.454 2.783 20 30 EFEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072630400 472688348 /nfs/dbraw/zinc/68/83/48/472688348.db2.gz RDJHVXFMFCZMEB-UHFFFAOYSA-N 2 1 328.460 2.693 20 30 EFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048783013 472909454 /nfs/dbraw/zinc/90/94/54/472909454.db2.gz AVZDULPQDBETNO-UHFFFAOYSA-N 2 1 334.467 2.595 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092801577 472987833 /nfs/dbraw/zinc/98/78/33/472987833.db2.gz ISBXKLDRWMLRNL-GOSISDBHSA-N 2 1 348.535 2.725 20 30 EFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134909861 472988482 /nfs/dbraw/zinc/98/84/82/472988482.db2.gz BBDBYLNSFPTGAI-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134909861 472988488 /nfs/dbraw/zinc/98/84/88/472988488.db2.gz BBDBYLNSFPTGAI-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134909861 472988496 /nfs/dbraw/zinc/98/84/96/472988496.db2.gz BBDBYLNSFPTGAI-YLJYHZDGSA-N 2 1 325.456 2.886 20 30 EFEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000066244445 473063894 /nfs/dbraw/zinc/06/38/94/473063894.db2.gz OCZFXDFSTQMZOU-UHFFFAOYSA-N 2 1 332.492 2.502 20 30 EFEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109786985 473123672 /nfs/dbraw/zinc/12/36/72/473123672.db2.gz STPFYVNKPPXENP-UHFFFAOYSA-N 2 1 328.460 2.693 20 30 EFEDMP C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455794 473468608 /nfs/dbraw/zinc/46/86/08/473468608.db2.gz FHKATJITIAICDZ-UHFFFAOYSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455794 473468612 /nfs/dbraw/zinc/46/86/12/473468612.db2.gz FHKATJITIAICDZ-UHFFFAOYSA-N 2 1 343.515 2.706 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740645 473502254 /nfs/dbraw/zinc/50/22/54/473502254.db2.gz HUQOCRSNNOZDLM-WBVHZDCISA-N 2 1 340.471 2.739 20 30 EFEDMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740645 473502257 /nfs/dbraw/zinc/50/22/57/473502257.db2.gz HUQOCRSNNOZDLM-WBVHZDCISA-N 2 1 340.471 2.739 20 30 EFEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179631623 473699716 /nfs/dbraw/zinc/69/97/16/473699716.db2.gz NZRRKSIIHIBVIC-QGZVFWFLSA-N 2 1 337.471 2.847 20 30 EFEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000179631623 473699722 /nfs/dbraw/zinc/69/97/22/473699722.db2.gz NZRRKSIIHIBVIC-QGZVFWFLSA-N 2 1 337.471 2.847 20 30 EFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N(C)Cc1ccccc1 ZINC000263243258 473746074 /nfs/dbraw/zinc/74/60/74/473746074.db2.gz LYOFSQQNGFUFPF-UHFFFAOYSA-N 2 1 348.454 2.783 20 30 EFEDMP C=C(C)C[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000193731981 473804312 /nfs/dbraw/zinc/80/43/12/473804312.db2.gz SWOHMHBGPLVAKD-UHFFFAOYSA-N 2 1 343.515 2.974 20 30 EFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169756 473816522 /nfs/dbraw/zinc/81/65/22/473816522.db2.gz XNKZZQXPKVWZQE-HNNXBMFYSA-N 2 1 348.454 2.890 20 30 EFEDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188314 473821541 /nfs/dbraw/zinc/82/15/41/473821541.db2.gz GLKOZUYJWRNBOJ-SFHVURJKSA-N 2 1 349.482 2.876 20 30 EFEDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188314 473821545 /nfs/dbraw/zinc/82/15/45/473821545.db2.gz GLKOZUYJWRNBOJ-SFHVURJKSA-N 2 1 349.482 2.876 20 30 EFEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225320 473831580 /nfs/dbraw/zinc/83/15/80/473831580.db2.gz GPWZBZGRIYDSTN-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225320 473831591 /nfs/dbraw/zinc/83/15/91/473831591.db2.gz GPWZBZGRIYDSTN-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225320 473831598 /nfs/dbraw/zinc/83/15/98/473831598.db2.gz GPWZBZGRIYDSTN-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180225320 473831608 /nfs/dbraw/zinc/83/16/08/473831608.db2.gz GPWZBZGRIYDSTN-QGZVFWFLSA-N 2 1 337.471 2.732 20 30 EFEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000269613370 473844221 /nfs/dbraw/zinc/84/42/21/473844221.db2.gz KTSZOQSYNATDCB-UHFFFAOYSA-N 2 1 341.337 2.907 20 30 EFEDMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269675500 473856938 /nfs/dbraw/zinc/85/69/38/473856938.db2.gz PDSYGWIHHJWYGO-HXUWFJFHSA-N 2 1 326.488 2.550 20 30 EFEDMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269675500 473856944 /nfs/dbraw/zinc/85/69/44/473856944.db2.gz PDSYGWIHHJWYGO-HXUWFJFHSA-N 2 1 326.488 2.550 20 30 EFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246896977 473996326 /nfs/dbraw/zinc/99/63/26/473996326.db2.gz RFFWDEBWGZIMSI-PKOBYXMFSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246896977 473996335 /nfs/dbraw/zinc/99/63/35/473996335.db2.gz RFFWDEBWGZIMSI-PKOBYXMFSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246896977 473996339 /nfs/dbraw/zinc/99/63/39/473996339.db2.gz RFFWDEBWGZIMSI-PKOBYXMFSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246896977 473996346 /nfs/dbraw/zinc/99/63/46/473996346.db2.gz RFFWDEBWGZIMSI-PKOBYXMFSA-N 2 1 325.456 2.886 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195198831 474028752 /nfs/dbraw/zinc/02/87/52/474028752.db2.gz UERKCNXTOZXNMK-IBGZPJMESA-N 2 1 337.508 2.874 20 30 EFEDMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270562238 474170493 /nfs/dbraw/zinc/17/04/93/474170493.db2.gz KDWXRTDGNDTHSY-SWLSCSKDSA-N 2 1 326.847 2.786 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000270928872 474324736 /nfs/dbraw/zinc/32/47/36/474324736.db2.gz PXGLQVLOCGSDEM-UHFFFAOYSA-N 2 1 344.478 2.688 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000265855342 474362574 /nfs/dbraw/zinc/36/25/74/474362574.db2.gz QWFYRPUPJIYKQI-UHFFFAOYSA-N 2 1 331.460 2.750 20 30 EFEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000265855342 474362579 /nfs/dbraw/zinc/36/25/79/474362579.db2.gz QWFYRPUPJIYKQI-UHFFFAOYSA-N 2 1 331.460 2.750 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945649 474488669 /nfs/dbraw/zinc/48/86/69/474488669.db2.gz DISSSYZJQNNITI-HNAYVOBHSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945649 474488672 /nfs/dbraw/zinc/48/86/72/474488672.db2.gz DISSSYZJQNNITI-HNAYVOBHSA-N 2 1 333.451 2.924 20 30 EFEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748390 474525296 /nfs/dbraw/zinc/52/52/96/474525296.db2.gz HPLNURBUCNTDMY-UHFFFAOYSA-N 2 1 330.472 2.678 20 30 EFEDMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000266979530 474555038 /nfs/dbraw/zinc/55/50/38/474555038.db2.gz LVNXSXWRBKWFOG-ZDUSSCGKSA-N 2 1 340.393 2.594 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249411578 474569601 /nfs/dbraw/zinc/56/96/01/474569601.db2.gz FHSLRTLSXFVJIG-PXNSSMCTSA-N 2 1 332.463 2.904 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249411578 474569606 /nfs/dbraw/zinc/56/96/06/474569606.db2.gz FHSLRTLSXFVJIG-PXNSSMCTSA-N 2 1 332.463 2.904 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290563710 474577047 /nfs/dbraw/zinc/57/70/47/474577047.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290563710 474577051 /nfs/dbraw/zinc/57/70/51/474577051.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290563710 474577053 /nfs/dbraw/zinc/57/70/53/474577053.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 2 1 326.488 2.953 20 30 EFEDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271992083 474599191 /nfs/dbraw/zinc/59/91/91/474599191.db2.gz ZLCSITYPEZXYCI-OAHLLOKOSA-N 2 1 332.467 2.622 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387496 474666503 /nfs/dbraw/zinc/66/65/03/474666503.db2.gz CEMBEOLALGPEMU-QGZVFWFLSA-N 2 1 341.459 2.539 20 30 EFEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278624007 474741598 /nfs/dbraw/zinc/74/15/98/474741598.db2.gz JXCMBBKOZFWBMC-UHFFFAOYSA-N 2 1 340.475 2.536 20 30 EFEDMP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000337162855 474750257 /nfs/dbraw/zinc/75/02/57/474750257.db2.gz WDRVHSBYGDMERE-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP CC(C)[N@@H+](C)CCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278784800 474833473 /nfs/dbraw/zinc/83/34/73/474833473.db2.gz ZNVGJJAUITUPED-UHFFFAOYSA-N 2 1 340.475 2.679 20 30 EFEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278784800 474833479 /nfs/dbraw/zinc/83/34/79/474833479.db2.gz ZNVGJJAUITUPED-UHFFFAOYSA-N 2 1 340.475 2.679 20 30 EFEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278784800 474833486 /nfs/dbraw/zinc/83/34/86/474833486.db2.gz ZNVGJJAUITUPED-UHFFFAOYSA-N 2 1 340.475 2.679 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000337428293 475006784 /nfs/dbraw/zinc/00/67/84/475006784.db2.gz CUUHAEBSWLQMAH-CEXWTWQISA-N 2 1 348.535 2.611 20 30 EFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285991246 475047988 /nfs/dbraw/zinc/04/79/88/475047988.db2.gz IDQFUJJGYKQOQY-MRXNPFEDSA-N 2 1 337.471 2.958 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000295031162 475099312 /nfs/dbraw/zinc/09/93/12/475099312.db2.gz OPVHSJCMISOPLE-SFHVURJKSA-N 2 1 343.471 2.585 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000295031162 475099320 /nfs/dbraw/zinc/09/93/20/475099320.db2.gz OPVHSJCMISOPLE-SFHVURJKSA-N 2 1 343.471 2.585 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000295087304 475104187 /nfs/dbraw/zinc/10/41/87/475104187.db2.gz UNUIYJBDSXMUST-RBUKOAKNSA-N 2 1 328.456 2.713 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000295087304 475104194 /nfs/dbraw/zinc/10/41/94/475104194.db2.gz UNUIYJBDSXMUST-RBUKOAKNSA-N 2 1 328.456 2.713 20 30 EFEDMP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1=O ZINC000281326637 475171925 /nfs/dbraw/zinc/17/19/25/475171925.db2.gz VLXKWRYSUAWSHC-XLIONFOSSA-N 2 1 341.499 2.938 20 30 EFEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330610044 475259492 /nfs/dbraw/zinc/25/94/92/475259492.db2.gz SZNGTTSCEBHGBN-ZDUSSCGKSA-N 2 1 348.878 2.812 20 30 EFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919049 475261313 /nfs/dbraw/zinc/26/13/13/475261313.db2.gz TZCIGMGAPQBFLV-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919049 475261322 /nfs/dbraw/zinc/26/13/22/475261322.db2.gz TZCIGMGAPQBFLV-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919049 475261330 /nfs/dbraw/zinc/26/13/30/475261330.db2.gz TZCIGMGAPQBFLV-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919049 475261341 /nfs/dbraw/zinc/26/13/41/475261341.db2.gz TZCIGMGAPQBFLV-CQSZACIVSA-N 2 1 334.489 2.612 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922452 475356972 /nfs/dbraw/zinc/35/69/72/475356972.db2.gz CPUOPENTWNZCGN-NHAYFPRASA-N 2 1 348.535 2.672 20 30 EFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922452 475356979 /nfs/dbraw/zinc/35/69/79/475356979.db2.gz CPUOPENTWNZCGN-NHAYFPRASA-N 2 1 348.535 2.672 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347183 475374717 /nfs/dbraw/zinc/37/47/17/475374717.db2.gz STXNWWDUTPTXAM-HFTRVMKXSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347183 475374718 /nfs/dbraw/zinc/37/47/18/475374718.db2.gz STXNWWDUTPTXAM-HFTRVMKXSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342707519 475629589 /nfs/dbraw/zinc/62/95/89/475629589.db2.gz MUHLBSUSDYNRHG-RTBURBONSA-N 2 1 340.515 2.743 20 30 EFEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304494283 476287806 /nfs/dbraw/zinc/28/78/06/476287806.db2.gz PAWDYSLQYABYNV-RDJZCZTQSA-N 2 1 330.476 2.679 20 30 EFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353976176 476343819 /nfs/dbraw/zinc/34/38/19/476343819.db2.gz WTWDAEQHZCWOTA-FQEVSTJZSA-N 2 1 326.488 2.991 20 30 EFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353976176 476343822 /nfs/dbraw/zinc/34/38/22/476343822.db2.gz WTWDAEQHZCWOTA-FQEVSTJZSA-N 2 1 326.488 2.991 20 30 EFEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353976177 476344267 /nfs/dbraw/zinc/34/42/67/476344267.db2.gz WTWDAEQHZCWOTA-HXUWFJFHSA-N 2 1 326.488 2.991 20 30 EFEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353976177 476344273 /nfs/dbraw/zinc/34/42/73/476344273.db2.gz WTWDAEQHZCWOTA-HXUWFJFHSA-N 2 1 326.488 2.991 20 30 EFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)C#N ZINC000372976523 476368403 /nfs/dbraw/zinc/36/84/03/476368403.db2.gz JMPGLLNVFGBWLA-UHFFFAOYSA-N 2 1 348.535 2.581 20 30 EFEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162700 476459160 /nfs/dbraw/zinc/45/91/60/476459160.db2.gz OCUJWWNKEIRUIZ-KRWDZBQOSA-N 2 1 346.519 2.525 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363658568 476481720 /nfs/dbraw/zinc/48/17/20/476481720.db2.gz CJUDMOZONFYOFH-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000351884309 476504005 /nfs/dbraw/zinc/50/40/05/476504005.db2.gz XLFMYMLQLMMVIQ-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518340 /nfs/dbraw/zinc/51/83/40/476518340.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518344 /nfs/dbraw/zinc/51/83/44/476518344.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 2 1 328.460 2.691 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518348 /nfs/dbraw/zinc/51/83/48/476518348.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 2 1 328.460 2.691 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430594755 476874199 /nfs/dbraw/zinc/87/41/99/476874199.db2.gz SGXCMHVMJJQSEB-RDJZCZTQSA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430594751 476874173 /nfs/dbraw/zinc/87/41/73/476874173.db2.gz SGXCMHVMJJQSEB-NVXWUHKLSA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430594751 476874179 /nfs/dbraw/zinc/87/41/79/476874179.db2.gz SGXCMHVMJJQSEB-NVXWUHKLSA-N 2 1 337.533 2.956 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430594755 476874192 /nfs/dbraw/zinc/87/41/92/476874192.db2.gz SGXCMHVMJJQSEB-RDJZCZTQSA-N 2 1 337.533 2.956 20 30 EFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900645 477071662 /nfs/dbraw/zinc/07/16/62/477071662.db2.gz HLIXNAPPWOMIBQ-XLIONFOSSA-N 2 1 326.488 2.720 20 30 EFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000371294707 477224074 /nfs/dbraw/zinc/22/40/74/477224074.db2.gz MQJDXRGQQSPFBS-YZGWKJHDSA-N 2 1 343.471 2.511 20 30 EFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371469361 477338844 /nfs/dbraw/zinc/33/88/44/477338844.db2.gz FDWUGLYQZMWNKF-MISYRCLQSA-N 2 1 330.472 2.935 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371469361 477338850 /nfs/dbraw/zinc/33/88/50/477338850.db2.gz FDWUGLYQZMWNKF-MISYRCLQSA-N 2 1 330.472 2.935 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449166609 477466546 /nfs/dbraw/zinc/46/65/46/477466546.db2.gz FAPLKEQFNQOKAU-JJBAYQRUSA-N 2 1 341.499 2.931 20 30 EFEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449166609 477466551 /nfs/dbraw/zinc/46/65/51/477466551.db2.gz FAPLKEQFNQOKAU-JJBAYQRUSA-N 2 1 341.499 2.931 20 30 EFEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090627 477668685 /nfs/dbraw/zinc/66/86/85/477668685.db2.gz WYGUQCQYCZUMHK-CQVJONBTSA-N 2 1 342.487 2.962 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000420310190 477681772 /nfs/dbraw/zinc/68/17/72/477681772.db2.gz FUYWCMCIBHRRSF-SFHVURJKSA-N 2 1 329.488 2.795 20 30 EFEDMP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774130 /nfs/dbraw/zinc/77/41/30/477774130.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774136 /nfs/dbraw/zinc/77/41/36/477774136.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774140 /nfs/dbraw/zinc/77/41/40/477774140.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 2 1 334.467 2.851 20 30 EFEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774146 /nfs/dbraw/zinc/77/41/46/477774146.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 2 1 334.467 2.851 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368232239 477792728 /nfs/dbraw/zinc/79/27/28/477792728.db2.gz ABPDQSOIRFRYHZ-MTFMMBMASA-N 2 1 341.499 2.567 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368232238 477792957 /nfs/dbraw/zinc/79/29/57/477792957.db2.gz ABPDQSOIRFRYHZ-IJXRJRJASA-N 2 1 341.499 2.567 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000439425476 477975153 /nfs/dbraw/zinc/97/51/53/477975153.db2.gz UFXOWPABASVSDX-UHFFFAOYSA-N 2 1 333.863 2.756 20 30 EFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000519179143 478214888 /nfs/dbraw/zinc/21/48/88/478214888.db2.gz YLTATPVDHSJJLB-UHFFFAOYSA-N 2 1 348.535 2.629 20 30 EFEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489400971 478241850 /nfs/dbraw/zinc/24/18/50/478241850.db2.gz LAYZPOVQRJABNX-HXUWFJFHSA-N 2 1 341.499 2.939 20 30 EFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC000570166865 478300260 /nfs/dbraw/zinc/30/02/60/478300260.db2.gz OLPOHWWXIVVQMC-HKUYNNGSSA-N 2 1 344.503 2.569 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC000570166867 478300397 /nfs/dbraw/zinc/30/03/97/478300397.db2.gz OLPOHWWXIVVQMC-IEBWSBKVSA-N 2 1 344.503 2.569 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000491072993 478437501 /nfs/dbraw/zinc/43/75/01/478437501.db2.gz WVAQRLUZSPGGLM-UHFFFAOYSA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000491072993 478437507 /nfs/dbraw/zinc/43/75/07/478437507.db2.gz WVAQRLUZSPGGLM-UHFFFAOYSA-N 2 1 337.508 2.615 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491210064 478472488 /nfs/dbraw/zinc/47/24/88/478472488.db2.gz PKSOICXWHSEYGW-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491210064 478472496 /nfs/dbraw/zinc/47/24/96/478472496.db2.gz PKSOICXWHSEYGW-OAHLLOKOSA-N 2 1 335.879 2.910 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718590 478484409 /nfs/dbraw/zinc/48/44/09/478484409.db2.gz YMIJSZGZOUDPLC-MJGOQNOKSA-N 2 1 345.487 2.542 20 30 EFEDMP C#CC[N@@H+](CC(=O)Nc1nc(CN2CCCC2)cs1)C1CCCC1 ZINC000491651648 478616135 /nfs/dbraw/zinc/61/61/35/478616135.db2.gz HZBZVVFVEYENBU-UHFFFAOYSA-N 2 1 346.500 2.555 20 30 EFEDMP C#CC[N@H+](CC(=O)Nc1nc(CN2CCCC2)cs1)C1CCCC1 ZINC000491651648 478616139 /nfs/dbraw/zinc/61/61/39/478616139.db2.gz HZBZVVFVEYENBU-UHFFFAOYSA-N 2 1 346.500 2.555 20 30 EFEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594992091 478621344 /nfs/dbraw/zinc/62/13/44/478621344.db2.gz ASYRNNSTPMCCAC-LJQANCHMSA-N 2 1 343.471 2.712 20 30 EFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000571780164 478677162 /nfs/dbraw/zinc/67/71/62/478677162.db2.gz ITTFMHODLPXMGA-UHFFFAOYSA-N 2 1 348.454 2.731 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000582960576 478728802 /nfs/dbraw/zinc/72/88/02/478728802.db2.gz ZRCBNDFWHSICET-SOAGJPPSSA-N 2 1 344.499 2.761 20 30 EFEDMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598602868 478922393 /nfs/dbraw/zinc/92/23/93/478922393.db2.gz WKHZKYHILHDEDH-YTQUADARSA-N 2 1 329.488 2.787 20 30 EFEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598700392 478979886 /nfs/dbraw/zinc/97/98/86/478979886.db2.gz MXXXIMRFGJTERU-HNNXBMFYSA-N 2 1 330.407 2.710 20 30 EFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000584356381 479108817 /nfs/dbraw/zinc/10/88/17/479108817.db2.gz LJIHIILEONUQQF-UHFFFAOYSA-N 2 1 333.501 2.964 20 30 EFEDMP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000551001541 479147027 /nfs/dbraw/zinc/14/70/27/479147027.db2.gz ICTCSCYCBHAPNV-QGZVFWFLSA-N 2 1 326.444 2.693 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610813522 479195452 /nfs/dbraw/zinc/19/54/52/479195452.db2.gz JSBOQFSZVIAPAE-FXAWDEMLSA-N 2 1 326.488 2.617 20 30 EFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610813522 479195455 /nfs/dbraw/zinc/19/54/55/479195455.db2.gz JSBOQFSZVIAPAE-FXAWDEMLSA-N 2 1 326.488 2.617 20 30 EFEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954666 479217885 /nfs/dbraw/zinc/21/78/85/479217885.db2.gz XCFMFKHNWNCLJV-FQEVSTJZSA-N 2 1 340.515 2.843 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000611337584 479350773 /nfs/dbraw/zinc/35/07/73/479350773.db2.gz OUAAEMDLVOBQGH-YKWDICOMSA-N 2 1 328.460 2.716 20 30 EFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000611337584 479350776 /nfs/dbraw/zinc/35/07/76/479350776.db2.gz OUAAEMDLVOBQGH-YKWDICOMSA-N 2 1 328.460 2.716 20 30 EFEDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392129 479366383 /nfs/dbraw/zinc/36/63/83/479366383.db2.gz MEWLFFIAUGGKOY-HXUWFJFHSA-N 2 1 326.488 2.553 20 30 EFEDMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602512502 479376126 /nfs/dbraw/zinc/37/61/26/479376126.db2.gz BRGXHGOFSBXBOB-UHFFFAOYSA-N 2 1 338.455 2.964 20 30 EFEDMP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000615094050 479599415 /nfs/dbraw/zinc/59/94/15/479599415.db2.gz XTDPRNSQAOJVQO-YBXZHIRMSA-N 2 1 340.471 2.860 20 30 EFEDMP C=CCOc1c(Cl)cc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623576450 480346683 /nfs/dbraw/zinc/34/66/83/480346683.db2.gz YGSIHSDLOBLUOP-UHFFFAOYSA-N 2 1 335.835 2.979 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000644549133 480432999 /nfs/dbraw/zinc/43/29/99/480432999.db2.gz ZMRNNSQHSCESDT-IBGZPJMESA-N 2 1 346.515 2.964 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516169 521498953 /nfs/dbraw/zinc/49/89/53/521498953.db2.gz JMSLXYDONYRWAM-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516169 521498948 /nfs/dbraw/zinc/49/89/48/521498948.db2.gz JMSLXYDONYRWAM-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516169 521498960 /nfs/dbraw/zinc/49/89/60/521498960.db2.gz JMSLXYDONYRWAM-QGZVFWFLSA-N 2 1 328.460 2.551 20 30 EFEDMP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000171728602 526435225 /nfs/dbraw/zinc/43/52/25/526435225.db2.gz PZPSTHNRQUSUMC-UHFFFAOYSA-N 2 1 344.503 2.588 20 30 EFEDMP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000180988575 526783730 /nfs/dbraw/zinc/78/37/30/526783730.db2.gz BRADANSJLORJPH-GOSISDBHSA-N 2 1 341.480 2.866 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162816517 527261798 /nfs/dbraw/zinc/26/17/98/527261798.db2.gz XWNXHYRKYBHQGZ-AABGKKOBSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162816517 527261800 /nfs/dbraw/zinc/26/18/00/527261800.db2.gz XWNXHYRKYBHQGZ-AABGKKOBSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162816517 527261808 /nfs/dbraw/zinc/26/18/08/527261808.db2.gz XWNXHYRKYBHQGZ-AABGKKOBSA-N 2 1 344.499 2.571 20 30 EFEDMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000328656723 535768842 /nfs/dbraw/zinc/76/88/42/535768842.db2.gz OCJGEIAKPFHTGI-HYVNUMGLSA-N 2 1 331.460 2.787 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000328656723 535768847 /nfs/dbraw/zinc/76/88/47/535768847.db2.gz OCJGEIAKPFHTGI-HYVNUMGLSA-N 2 1 331.460 2.787 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000262444912 536655982 /nfs/dbraw/zinc/65/59/82/536655982.db2.gz ILJUFULOJLFKGU-OAHLLOKOSA-N 2 1 342.896 2.513 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657352248 547126557 /nfs/dbraw/zinc/12/65/57/547126557.db2.gz HDDAPHCMTCXAFO-HXUWFJFHSA-N 2 1 330.472 2.984 20 30 EFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000657750840 547271766 /nfs/dbraw/zinc/27/17/66/547271766.db2.gz FUWOGTADCAORPB-SFHVURJKSA-N 2 1 346.471 2.603 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765979776 577094583 /nfs/dbraw/zinc/09/45/83/577094583.db2.gz XDGSTDRFMMMXJS-UTKZUKDTSA-N 2 1 342.483 2.993 20 30 EFEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(F)c(F)c3)cc2)CC1 ZINC000771564625 581223117 /nfs/dbraw/zinc/22/31/17/581223117.db2.gz XRXHCLZSPGDYQP-UHFFFAOYSA-N 2 1 344.409 2.840 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001752828009 1251584679 /nfs/dbraw/zinc/58/46/79/1251584679.db2.gz WWENFZZIHNPPDA-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001752829763 1251594274 /nfs/dbraw/zinc/59/42/74/1251594274.db2.gz VCAWYYBTQJLBAV-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683865 1252165397 /nfs/dbraw/zinc/16/53/97/1252165397.db2.gz IGBKKPQKGCVJNJ-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683865 1252165409 /nfs/dbraw/zinc/16/54/09/1252165409.db2.gz IGBKKPQKGCVJNJ-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683865 1252165422 /nfs/dbraw/zinc/16/54/22/1252165422.db2.gz IGBKKPQKGCVJNJ-MOPGFXCFSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001089687426 1252183352 /nfs/dbraw/zinc/18/33/52/1252183352.db2.gz JSIWVJZCOYDWDU-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001089687426 1252183359 /nfs/dbraw/zinc/18/33/59/1252183359.db2.gz JSIWVJZCOYDWDU-DLBZAZTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001089687433 1252183998 /nfs/dbraw/zinc/18/39/98/1252183998.db2.gz JSIWVJZCOYDWDU-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001089687433 1252184005 /nfs/dbraw/zinc/18/40/05/1252184005.db2.gz JSIWVJZCOYDWDU-SJORKVTESA-N 2 1 344.503 2.547 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCCC)CC1 ZINC001089733857 1252328096 /nfs/dbraw/zinc/32/80/96/1252328096.db2.gz BBSAQNCGPLMQDW-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995903117 1254826751 /nfs/dbraw/zinc/82/67/51/1254826751.db2.gz JVCRZVSTAUPJMW-CVEARBPZSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995990918 1254920309 /nfs/dbraw/zinc/92/03/09/1254920309.db2.gz CQPQTYFONCKAST-JKSUJKDBSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538479 1255011185 /nfs/dbraw/zinc/01/11/85/1255011185.db2.gz JQTYJDCOSVVSBZ-PXNSSMCTSA-N 2 1 344.503 2.801 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676817 1255726612 /nfs/dbraw/zinc/72/66/12/1255726612.db2.gz PQYMKCNFNOHYGN-ROUUACIJSA-N 2 1 329.488 2.692 20 30 EFEDMP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098819550 1255735046 /nfs/dbraw/zinc/73/50/46/1255735046.db2.gz ALDOVSNXNKORLD-ICSRJNTNSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410886 1255771479 /nfs/dbraw/zinc/77/14/79/1255771479.db2.gz ZDQIBVYXPXBNEK-SFHLNBCPSA-N 2 1 345.531 2.655 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424411 1255784108 /nfs/dbraw/zinc/78/41/08/1255784108.db2.gz MRWCQZRSZADANM-ZHALLVOQSA-N 2 1 339.499 2.603 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436155 1255813465 /nfs/dbraw/zinc/81/34/65/1255813465.db2.gz OGWAISOWCQCEJH-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436155 1255813470 /nfs/dbraw/zinc/81/34/70/1255813470.db2.gz OGWAISOWCQCEJH-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436155 1255813483 /nfs/dbraw/zinc/81/34/83/1255813483.db2.gz OGWAISOWCQCEJH-SFHLNBCPSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482674 1255962709 /nfs/dbraw/zinc/96/27/09/1255962709.db2.gz NIAGXIJUTWLVIZ-TZIWHRDSSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482674 1255962715 /nfs/dbraw/zinc/96/27/15/1255962715.db2.gz NIAGXIJUTWLVIZ-TZIWHRDSSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482674 1255962721 /nfs/dbraw/zinc/96/27/21/1255962721.db2.gz NIAGXIJUTWLVIZ-TZIWHRDSSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107547011 1256106177 /nfs/dbraw/zinc/10/61/77/1256106177.db2.gz XSKOALGAEZUACF-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107547011 1256106181 /nfs/dbraw/zinc/10/61/81/1256106181.db2.gz XSKOALGAEZUACF-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107547011 1256106184 /nfs/dbraw/zinc/10/61/84/1256106184.db2.gz XSKOALGAEZUACF-QWFCFKBJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547239 1256107324 /nfs/dbraw/zinc/10/73/24/1256107324.db2.gz GQHQUKHNPMQXSA-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547239 1256107330 /nfs/dbraw/zinc/10/73/30/1256107330.db2.gz GQHQUKHNPMQXSA-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547239 1256107336 /nfs/dbraw/zinc/10/73/36/1256107336.db2.gz GQHQUKHNPMQXSA-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001107619271 1256308195 /nfs/dbraw/zinc/30/81/95/1256308195.db2.gz UJIAYOGPWHJILL-NRSPTQNISA-N 2 1 345.531 2.799 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC001107619271 1256308199 /nfs/dbraw/zinc/30/81/99/1256308199.db2.gz UJIAYOGPWHJILL-NRSPTQNISA-N 2 1 345.531 2.799 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC001107619271 1256308203 /nfs/dbraw/zinc/30/82/03/1256308203.db2.gz UJIAYOGPWHJILL-NRSPTQNISA-N 2 1 345.531 2.799 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646735 1256370935 /nfs/dbraw/zinc/37/09/35/1256370935.db2.gz TUFZQMUBOBRIQU-SFHLNBCPSA-N 2 1 341.499 2.836 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646735 1256370942 /nfs/dbraw/zinc/37/09/42/1256370942.db2.gz TUFZQMUBOBRIQU-SFHLNBCPSA-N 2 1 341.499 2.836 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646735 1256370951 /nfs/dbraw/zinc/37/09/51/1256370951.db2.gz TUFZQMUBOBRIQU-SFHLNBCPSA-N 2 1 341.499 2.836 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132863 1257033436 /nfs/dbraw/zinc/03/34/36/1257033436.db2.gz QFBPJAGCOHTTOV-IEBWSBKVSA-N 2 1 335.536 2.757 20 30 EFEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136441 1257038272 /nfs/dbraw/zinc/03/82/72/1257038272.db2.gz GBISEKDWFIBWHF-YLJYHZDGSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406282 1257125660 /nfs/dbraw/zinc/12/56/60/1257125660.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406282 1257125664 /nfs/dbraw/zinc/12/56/64/1257125664.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406282 1257125666 /nfs/dbraw/zinc/12/56/66/1257125666.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997368851 1257471836 /nfs/dbraw/zinc/47/18/36/1257471836.db2.gz LZDUSXUPFPXUQN-KRWDZBQOSA-N 2 1 335.879 2.622 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910030 1257555937 /nfs/dbraw/zinc/55/59/37/1257555937.db2.gz ODRJXMCPLZIWRU-HAGHYFMRSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588103 1258068161 /nfs/dbraw/zinc/06/81/61/1258068161.db2.gz WBHDGYKZJLWBKH-RDJZCZTQSA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588103 1258068169 /nfs/dbraw/zinc/06/81/69/1258068169.db2.gz WBHDGYKZJLWBKH-RDJZCZTQSA-N 2 1 341.927 2.828 20 30 EFEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997618174 1258121922 /nfs/dbraw/zinc/12/19/22/1258121922.db2.gz PLPUOKOJQBNOTM-LPHOPBHVSA-N 2 1 333.520 2.796 20 30 EFEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997619078 1258123108 /nfs/dbraw/zinc/12/31/08/1258123108.db2.gz WRTGUVIGHZWJCH-FXAWDEMLSA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997727278 1258306831 /nfs/dbraw/zinc/30/68/31/1258306831.db2.gz ZRHRRGSQBIENGJ-PKOBYXMFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997736855 1258327486 /nfs/dbraw/zinc/32/74/86/1258327486.db2.gz XQFAHDSZGPFJKU-MAUKXSAKSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001485829846 1258567509 /nfs/dbraw/zinc/56/75/09/1258567509.db2.gz TWAODQJAHSGSQM-OAHLLOKOSA-N 2 1 338.883 2.586 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006225 1258936233 /nfs/dbraw/zinc/93/62/33/1258936233.db2.gz JHNIEBVEHWMENG-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031380 1258988067 /nfs/dbraw/zinc/98/80/67/1258988067.db2.gz PJAWDEHKWUGHIX-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031380 1258988070 /nfs/dbraw/zinc/98/80/70/1258988070.db2.gz PJAWDEHKWUGHIX-SJORKVTESA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998041429 1259011226 /nfs/dbraw/zinc/01/12/26/1259011226.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000998041429 1259011231 /nfs/dbraw/zinc/01/12/31/1259011231.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047552 1259022850 /nfs/dbraw/zinc/02/28/50/1259022850.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 1 344.503 2.712 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099576 1259103948 /nfs/dbraw/zinc/10/39/48/1259103948.db2.gz SKSOECQJTSBHCX-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998099576 1259103953 /nfs/dbraw/zinc/10/39/53/1259103953.db2.gz SKSOECQJTSBHCX-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998099576 1259103957 /nfs/dbraw/zinc/10/39/57/1259103957.db2.gz SKSOECQJTSBHCX-FHWLQOOXSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998176083 1259195512 /nfs/dbraw/zinc/19/55/12/1259195512.db2.gz HMZVFJBEFNQJET-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901206 1260072276 /nfs/dbraw/zinc/07/22/76/1260072276.db2.gz KQUDWEHYNPLQLQ-PREGVCBESA-N 2 1 339.911 2.725 20 30 EFEDMP C=C(C)CN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144921 1260364012 /nfs/dbraw/zinc/36/40/12/1260364012.db2.gz UJSISHUSCBNZCA-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000999391665 1260588820 /nfs/dbraw/zinc/58/88/20/1260588820.db2.gz NIYYSTXXCLBLFD-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000999391665 1260588822 /nfs/dbraw/zinc/58/88/22/1260588822.db2.gz NIYYSTXXCLBLFD-UXHICEINSA-N 2 1 343.515 2.555 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406897 1260600587 /nfs/dbraw/zinc/60/05/87/1260600587.db2.gz BOWJPGFNYGYVPN-KVULBXGLSA-N 2 1 345.890 2.530 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)N(C)C ZINC001032725522 1261080046 /nfs/dbraw/zinc/08/00/46/1261080046.db2.gz OMHUGACUNWIZSS-ZJOUEHCJSA-N 2 1 341.499 2.715 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725522 1261080055 /nfs/dbraw/zinc/08/00/55/1261080055.db2.gz OMHUGACUNWIZSS-ZJOUEHCJSA-N 2 1 341.499 2.715 20 30 EFEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722259 1261207163 /nfs/dbraw/zinc/20/71/63/1261207163.db2.gz JQZJHRSYKMWSER-IBGZPJMESA-N 2 1 330.472 2.842 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586484 1266416643 /nfs/dbraw/zinc/41/66/43/1266416643.db2.gz KJCNPNDASQGCGQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586484 1266416648 /nfs/dbraw/zinc/41/66/48/1266416648.db2.gz KJCNPNDASQGCGQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586484 1266416652 /nfs/dbraw/zinc/41/66/52/1266416652.db2.gz KJCNPNDASQGCGQ-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902802 1261692538 /nfs/dbraw/zinc/69/25/38/1261692538.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902802 1261692549 /nfs/dbraw/zinc/69/25/49/1261692549.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902802 1261692554 /nfs/dbraw/zinc/69/25/54/1261692554.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902801 1261693518 /nfs/dbraw/zinc/69/35/18/1261693518.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902801 1261693527 /nfs/dbraw/zinc/69/35/27/1261693527.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902801 1261693533 /nfs/dbraw/zinc/69/35/33/1261693533.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904569 1261723808 /nfs/dbraw/zinc/72/38/08/1261723808.db2.gz JYVCZOUOURVYNN-ZCNNSNEGSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946904977 1261726331 /nfs/dbraw/zinc/72/63/31/1261726331.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904977 1261726339 /nfs/dbraw/zinc/72/63/39/1261726339.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904977 1261726344 /nfs/dbraw/zinc/72/63/44/1261726344.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001405812 1262182138 /nfs/dbraw/zinc/18/21/38/1262182138.db2.gz USFCTVWMKPGOOP-RBUKOAKNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559834 1263222117 /nfs/dbraw/zinc/22/21/17/1263222117.db2.gz QKAURORMVGDTCG-KBRIMQKVSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084344648 1263840691 /nfs/dbraw/zinc/84/06/91/1263840691.db2.gz CHFSHFVYKQVEHK-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917372 /nfs/dbraw/zinc/91/73/72/1263917372.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917378 /nfs/dbraw/zinc/91/73/78/1263917378.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917386 /nfs/dbraw/zinc/91/73/86/1263917386.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069458 /nfs/dbraw/zinc/06/94/58/1264069458.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069468 /nfs/dbraw/zinc/06/94/68/1264069468.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069475 /nfs/dbraw/zinc/06/94/75/1264069475.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768061 1264347315 /nfs/dbraw/zinc/34/73/15/1264347315.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768061 1264347321 /nfs/dbraw/zinc/34/73/21/1264347321.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768061 1264347333 /nfs/dbraw/zinc/34/73/33/1264347333.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944590 1264716857 /nfs/dbraw/zinc/71/68/57/1264716857.db2.gz YEEDNUCSHGHLDO-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944590 1264716866 /nfs/dbraw/zinc/71/68/66/1264716866.db2.gz YEEDNUCSHGHLDO-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944590 1264716870 /nfs/dbraw/zinc/71/68/70/1264716870.db2.gz YEEDNUCSHGHLDO-KSZLIROESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957737 1264764130 /nfs/dbraw/zinc/76/41/30/1264764130.db2.gz TZGWZZOYQLXPGL-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957737 1264764133 /nfs/dbraw/zinc/76/41/33/1264764133.db2.gz TZGWZZOYQLXPGL-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957737 1264764142 /nfs/dbraw/zinc/76/41/42/1264764142.db2.gz TZGWZZOYQLXPGL-AQNXPRMDSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001410417804 1265062426 /nfs/dbraw/zinc/06/24/26/1265062426.db2.gz ATOVTHHXGMDLTC-OAHLLOKOSA-N 2 1 329.916 2.830 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072515 1265075667 /nfs/dbraw/zinc/07/56/67/1265075667.db2.gz DNAXDLRKTVQXHU-SLYNCCJLSA-N 2 1 341.499 2.572 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072515 1265075677 /nfs/dbraw/zinc/07/56/77/1265075677.db2.gz DNAXDLRKTVQXHU-SLYNCCJLSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004370032 1266788662 /nfs/dbraw/zinc/78/86/62/1266788662.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004370032 1266788673 /nfs/dbraw/zinc/78/86/73/1266788673.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004370032 1266788682 /nfs/dbraw/zinc/78/86/82/1266788682.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085254205 1266945342 /nfs/dbraw/zinc/94/53/42/1266945342.db2.gz VPLUONNUAGHFMN-ZACQAIPSSA-N 2 1 341.927 2.876 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004431415 1266992495 /nfs/dbraw/zinc/99/24/95/1266992495.db2.gz XLWSASOHSOANFS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431415 1266992501 /nfs/dbraw/zinc/99/25/01/1266992501.db2.gz XLWSASOHSOANFS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004431415 1266992506 /nfs/dbraw/zinc/99/25/06/1266992506.db2.gz XLWSASOHSOANFS-PMACEKPBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437083 1266994071 /nfs/dbraw/zinc/99/40/71/1266994071.db2.gz JCLGANLONUCIRC-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001004439680 1267002581 /nfs/dbraw/zinc/00/25/81/1267002581.db2.gz VVGFDHCMRMNWEW-LJQANCHMSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004441327 1267005796 /nfs/dbraw/zinc/00/57/96/1267005796.db2.gz IBFUFFQFBSPOQK-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441327 1267005809 /nfs/dbraw/zinc/00/58/09/1267005809.db2.gz IBFUFFQFBSPOQK-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441327 1267005821 /nfs/dbraw/zinc/00/58/21/1267005821.db2.gz IBFUFFQFBSPOQK-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004445891 1267018684 /nfs/dbraw/zinc/01/86/84/1267018684.db2.gz JJSATOMJPNCZGS-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004445891 1267018692 /nfs/dbraw/zinc/01/86/92/1267018692.db2.gz JJSATOMJPNCZGS-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004445891 1267018702 /nfs/dbraw/zinc/01/87/02/1267018702.db2.gz JJSATOMJPNCZGS-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004455925 1267083809 /nfs/dbraw/zinc/08/38/09/1267083809.db2.gz BXYBKLMEOUQHNK-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455925 1267083815 /nfs/dbraw/zinc/08/38/15/1267083815.db2.gz BXYBKLMEOUQHNK-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004455925 1267083820 /nfs/dbraw/zinc/08/38/20/1267083820.db2.gz BXYBKLMEOUQHNK-WOJBJXKFSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456732 1267085005 /nfs/dbraw/zinc/08/50/05/1267085005.db2.gz HDUFZNHIXOTYQD-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004456732 1267085015 /nfs/dbraw/zinc/08/50/15/1267085015.db2.gz HDUFZNHIXOTYQD-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004456732 1267085028 /nfs/dbraw/zinc/08/50/28/1267085028.db2.gz HDUFZNHIXOTYQD-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456789 1267085357 /nfs/dbraw/zinc/08/53/57/1267085357.db2.gz HZKQYRYGJNPJEV-ROUUACIJSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004456789 1267085360 /nfs/dbraw/zinc/08/53/60/1267085360.db2.gz HZKQYRYGJNPJEV-ROUUACIJSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004473173 1267120043 /nfs/dbraw/zinc/12/00/43/1267120043.db2.gz LDPCKNPSWLAJSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004473173 1267120047 /nfs/dbraw/zinc/12/00/47/1267120047.db2.gz LDPCKNPSWLAJSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004473173 1267120049 /nfs/dbraw/zinc/12/00/49/1267120049.db2.gz LDPCKNPSWLAJSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623542 1267217181 /nfs/dbraw/zinc/21/71/81/1267217181.db2.gz LVGUEPLUARFNMD-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623542 1267217184 /nfs/dbraw/zinc/21/71/84/1267217184.db2.gz LVGUEPLUARFNMD-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623542 1267217197 /nfs/dbraw/zinc/21/71/97/1267217197.db2.gz LVGUEPLUARFNMD-ZCNNSNEGSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004519893 1267233442 /nfs/dbraw/zinc/23/34/42/1267233442.db2.gz FYQIPJUTGYJSPA-GOSISDBHSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549419 1267275031 /nfs/dbraw/zinc/27/50/31/1267275031.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549419 1267275042 /nfs/dbraw/zinc/27/50/42/1267275042.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549419 1267275047 /nfs/dbraw/zinc/27/50/47/1267275047.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615035 1267385018 /nfs/dbraw/zinc/38/50/18/1267385018.db2.gz DETMZJKCFVADTG-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615035 1267385029 /nfs/dbraw/zinc/38/50/29/1267385029.db2.gz DETMZJKCFVADTG-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633530 1267390449 /nfs/dbraw/zinc/39/04/49/1267390449.db2.gz XVYFSCPAQVSBTI-OTWHNJEPSA-N 2 1 335.536 2.709 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619895 1267414743 /nfs/dbraw/zinc/41/47/43/1267414743.db2.gz NGSGTGRUVWQKOC-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619895 1267414746 /nfs/dbraw/zinc/41/47/46/1267414746.db2.gz NGSGTGRUVWQKOC-WOJBJXKFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004620848 1267416935 /nfs/dbraw/zinc/41/69/35/1267416935.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004620848 1267416936 /nfs/dbraw/zinc/41/69/36/1267416936.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004620848 1267416938 /nfs/dbraw/zinc/41/69/38/1267416938.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642963 1267450000 /nfs/dbraw/zinc/45/00/00/1267450000.db2.gz XOPFVGLNYUEVSC-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642963 1267450002 /nfs/dbraw/zinc/45/00/02/1267450002.db2.gz XOPFVGLNYUEVSC-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642963 1267450006 /nfs/dbraw/zinc/45/00/06/1267450006.db2.gz XOPFVGLNYUEVSC-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657384 1267574879 /nfs/dbraw/zinc/57/48/79/1267574879.db2.gz IPPBSSOXIOYFIG-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657384 1267574888 /nfs/dbraw/zinc/57/48/88/1267574888.db2.gz IPPBSSOXIOYFIG-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657384 1267574896 /nfs/dbraw/zinc/57/48/96/1267574896.db2.gz IPPBSSOXIOYFIG-HSALFYBXSA-N 2 1 347.547 2.853 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033159846 1267580670 /nfs/dbraw/zinc/58/06/70/1267580670.db2.gz APBCTDUVOZMDHQ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033159846 1267580679 /nfs/dbraw/zinc/58/06/79/1267580679.db2.gz APBCTDUVOZMDHQ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033159846 1267580686 /nfs/dbraw/zinc/58/06/86/1267580686.db2.gz APBCTDUVOZMDHQ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033159846 1267580693 /nfs/dbraw/zinc/58/06/93/1267580693.db2.gz APBCTDUVOZMDHQ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033159846 1267580700 /nfs/dbraw/zinc/58/07/00/1267580700.db2.gz APBCTDUVOZMDHQ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085648352 1268132957 /nfs/dbraw/zinc/13/29/57/1268132957.db2.gz JZYQJJJBMCMASB-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085648352 1268132962 /nfs/dbraw/zinc/13/29/62/1268132962.db2.gz JZYQJJJBMCMASB-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085648352 1268132965 /nfs/dbraw/zinc/13/29/65/1268132965.db2.gz JZYQJJJBMCMASB-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085648352 1268132970 /nfs/dbraw/zinc/13/29/70/1268132970.db2.gz JZYQJJJBMCMASB-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085648698 1268133282 /nfs/dbraw/zinc/13/32/82/1268133282.db2.gz TYSOTOPSSRCATL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085648698 1268133295 /nfs/dbraw/zinc/13/32/95/1268133295.db2.gz TYSOTOPSSRCATL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085648698 1268133301 /nfs/dbraw/zinc/13/33/01/1268133301.db2.gz TYSOTOPSSRCATL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085648698 1268133305 /nfs/dbraw/zinc/13/33/05/1268133305.db2.gz TYSOTOPSSRCATL-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465078 /nfs/dbraw/zinc/46/50/78/1268465078.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465084 /nfs/dbraw/zinc/46/50/84/1268465084.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465090 /nfs/dbraw/zinc/46/50/90/1268465090.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC[C@@H]2C1 ZINC000946776153 1268475247 /nfs/dbraw/zinc/47/52/47/1268475247.db2.gz FGJOGTYETJNIIS-BBWFWOEESA-N 2 1 342.487 2.576 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085779739 1268495909 /nfs/dbraw/zinc/49/59/09/1268495909.db2.gz BVVKEBWQEGYMTK-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085779739 1268495914 /nfs/dbraw/zinc/49/59/14/1268495914.db2.gz BVVKEBWQEGYMTK-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085779739 1268495920 /nfs/dbraw/zinc/49/59/20/1268495920.db2.gz BVVKEBWQEGYMTK-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085779739 1268495924 /nfs/dbraw/zinc/49/59/24/1268495924.db2.gz BVVKEBWQEGYMTK-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297713 1268687412 /nfs/dbraw/zinc/68/74/12/1268687412.db2.gz RWOKHPMGOCSWPH-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818397 1268862570 /nfs/dbraw/zinc/86/25/70/1268862570.db2.gz JOSOSPIUWNCRSV-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818397 1268862586 /nfs/dbraw/zinc/86/25/86/1268862586.db2.gz JOSOSPIUWNCRSV-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818397 1268862597 /nfs/dbraw/zinc/86/25/97/1268862597.db2.gz JOSOSPIUWNCRSV-IYWMVGAKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001171075043 1278457229 /nfs/dbraw/zinc/45/72/29/1278457229.db2.gz MJIONHGSKGPHKK-MJGOQNOKSA-N 2 1 345.487 2.792 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683921 1269791154 /nfs/dbraw/zinc/79/11/54/1269791154.db2.gz JPOKLUYENWKDNK-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087323 1269867969 /nfs/dbraw/zinc/86/79/69/1269867969.db2.gz WLAJCEOCLHHNRQ-OKZBNKHCSA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087322 1269868749 /nfs/dbraw/zinc/86/87/49/1269868749.db2.gz WLAJCEOCLHHNRQ-KURKYZTESA-N 2 1 333.520 2.702 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856772 1270402694 /nfs/dbraw/zinc/40/26/94/1270402694.db2.gz WGAAJEAUUYDWFI-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856772 1270402698 /nfs/dbraw/zinc/40/26/98/1270402698.db2.gz WGAAJEAUUYDWFI-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856772 1270402705 /nfs/dbraw/zinc/40/27/05/1270402705.db2.gz WGAAJEAUUYDWFI-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033930766 1270595339 /nfs/dbraw/zinc/59/53/39/1270595339.db2.gz AIVUPIIPUNJCAP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033930766 1270595345 /nfs/dbraw/zinc/59/53/45/1270595345.db2.gz AIVUPIIPUNJCAP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033930766 1270595349 /nfs/dbraw/zinc/59/53/49/1270595349.db2.gz AIVUPIIPUNJCAP-OALUTQOASA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005495509 1270795384 /nfs/dbraw/zinc/79/53/84/1270795384.db2.gz CXSSKBNLOVADEW-GOSISDBHSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113717121 1278609269 /nfs/dbraw/zinc/60/92/69/1278609269.db2.gz NTSMSPWRGORWPW-UHFFFAOYSA-N 2 1 333.476 2.845 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005518926 1271277275 /nfs/dbraw/zinc/27/72/75/1271277275.db2.gz OFTIBYKNGOKQJE-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005518926 1271277279 /nfs/dbraw/zinc/27/72/79/1271277279.db2.gz OFTIBYKNGOKQJE-FQEVSTJZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211854 1271366271 /nfs/dbraw/zinc/36/62/71/1271366271.db2.gz PCNCHKWMAIHKIB-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211854 1271366280 /nfs/dbraw/zinc/36/62/80/1271366280.db2.gz PCNCHKWMAIHKIB-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211854 1271366291 /nfs/dbraw/zinc/36/62/91/1271366291.db2.gz PCNCHKWMAIHKIB-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250520 1271426612 /nfs/dbraw/zinc/42/66/12/1271426612.db2.gz RIUXNSPWFMXQLR-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250520 1271426616 /nfs/dbraw/zinc/42/66/16/1271426616.db2.gz RIUXNSPWFMXQLR-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287243 1272092707 /nfs/dbraw/zinc/09/27/07/1272092707.db2.gz OKZMZGSSORGVGU-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489272 1272142474 /nfs/dbraw/zinc/14/24/74/1272142474.db2.gz AVPVXPDHWCJGMA-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489272 1272142479 /nfs/dbraw/zinc/14/24/79/1272142479.db2.gz AVPVXPDHWCJGMA-INIZCTEOSA-N 2 1 330.476 2.698 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034539233 1272246056 /nfs/dbraw/zinc/24/60/56/1272246056.db2.gz YRTQWHQSTPWQRD-LJQANCHMSA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001034663406 1272449531 /nfs/dbraw/zinc/44/95/31/1272449531.db2.gz WWEHCPXKNSRRJW-KKUMJFAQSA-N 2 1 336.867 2.530 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005580466 1272492640 /nfs/dbraw/zinc/49/26/40/1272492640.db2.gz GPMVQOCNLDHSDA-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005581277 1272495226 /nfs/dbraw/zinc/49/52/26/1272495226.db2.gz KIRLYWWTFQHLRN-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005581277 1272495230 /nfs/dbraw/zinc/49/52/30/1272495230.db2.gz KIRLYWWTFQHLRN-SJORKVTESA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034674556 1272504608 /nfs/dbraw/zinc/50/46/08/1272504608.db2.gz JNHLPIIUMKVEDN-QBPKDAKJSA-N 2 1 339.911 2.773 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005638719 1272650703 /nfs/dbraw/zinc/65/07/03/1272650703.db2.gz CEZXILLESFEEQJ-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)CN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640340 1272655292 /nfs/dbraw/zinc/65/52/92/1272655292.db2.gz PRKBUCLMFXOERD-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640340 1272655305 /nfs/dbraw/zinc/65/53/05/1272655305.db2.gz PRKBUCLMFXOERD-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640340 1272655317 /nfs/dbraw/zinc/65/53/17/1272655317.db2.gz PRKBUCLMFXOERD-KRWDZBQOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169130387 1272688663 /nfs/dbraw/zinc/68/86/63/1272688663.db2.gz NKJFIFIOIMHERC-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130387 1272688664 /nfs/dbraw/zinc/68/86/64/1272688664.db2.gz NKJFIFIOIMHERC-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169130387 1272688666 /nfs/dbraw/zinc/68/86/66/1272688666.db2.gz NKJFIFIOIMHERC-AJYBTWMASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034714522 1272694064 /nfs/dbraw/zinc/69/40/64/1272694064.db2.gz DCKFVESCPQPRTQ-ZHALLVOQSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034712162 1272705914 /nfs/dbraw/zinc/70/59/14/1272705914.db2.gz RYRCILVMDGJMLY-BRWVUGGUSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CCOC(=O)N1CCCC2(CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC001169244252 1272767130 /nfs/dbraw/zinc/76/71/30/1272767130.db2.gz JXHOBHFMZWWKEW-UHFFFAOYSA-N 2 1 349.519 2.971 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108714656 1273394401 /nfs/dbraw/zinc/39/44/01/1273394401.db2.gz LQEDCCMUWITSSM-LNLFQRSKSA-N 2 1 345.531 2.632 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184377 1273751803 /nfs/dbraw/zinc/75/18/03/1273751803.db2.gz JHIMFVXDCLZJRX-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184377 1273751811 /nfs/dbraw/zinc/75/18/11/1273751811.db2.gz JHIMFVXDCLZJRX-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184377 1273751817 /nfs/dbraw/zinc/75/18/17/1273751817.db2.gz JHIMFVXDCLZJRX-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199970 1273769790 /nfs/dbraw/zinc/76/97/90/1273769790.db2.gz SKAHNOYZTMHXDK-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199970 1273769794 /nfs/dbraw/zinc/76/97/94/1273769794.db2.gz SKAHNOYZTMHXDK-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199970 1273769799 /nfs/dbraw/zinc/76/97/99/1273769799.db2.gz SKAHNOYZTMHXDK-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035187158 1273793079 /nfs/dbraw/zinc/79/30/79/1273793079.db2.gz SJPOWZYGBVPNTK-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187158 1273793083 /nfs/dbraw/zinc/79/30/83/1273793083.db2.gz SJPOWZYGBVPNTK-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187158 1273793090 /nfs/dbraw/zinc/79/30/90/1273793090.db2.gz SJPOWZYGBVPNTK-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035190623 1273801274 /nfs/dbraw/zinc/80/12/74/1273801274.db2.gz GJPFTSRNYYVRCO-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035190623 1273801284 /nfs/dbraw/zinc/80/12/84/1273801284.db2.gz GJPFTSRNYYVRCO-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035190623 1273801297 /nfs/dbraw/zinc/80/12/97/1273801297.db2.gz GJPFTSRNYYVRCO-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847624 /nfs/dbraw/zinc/84/76/24/1273847624.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847628 /nfs/dbraw/zinc/84/76/28/1273847628.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847634 /nfs/dbraw/zinc/84/76/34/1273847634.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217136 1273879017 /nfs/dbraw/zinc/87/90/17/1273879017.db2.gz OGYOTBDISSLAMY-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217136 1273879021 /nfs/dbraw/zinc/87/90/21/1273879021.db2.gz OGYOTBDISSLAMY-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217136 1273879028 /nfs/dbraw/zinc/87/90/28/1273879028.db2.gz OGYOTBDISSLAMY-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234462 1273889816 /nfs/dbraw/zinc/88/98/16/1273889816.db2.gz UJADDZFDINQJRN-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234462 1273889820 /nfs/dbraw/zinc/88/98/20/1273889820.db2.gz UJADDZFDINQJRN-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238549 1273902661 /nfs/dbraw/zinc/90/26/61/1273902661.db2.gz DNFKCCNGAXMEAS-UHFFFAOYSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244511 1273916553 /nfs/dbraw/zinc/91/65/53/1273916553.db2.gz PTVLCSBKBWCTBS-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035244494 1273916728 /nfs/dbraw/zinc/91/67/28/1273916728.db2.gz PDNBJUFUNRFKFU-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244494 1273916735 /nfs/dbraw/zinc/91/67/35/1273916735.db2.gz PDNBJUFUNRFKFU-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244494 1273916740 /nfs/dbraw/zinc/91/67/40/1273916740.db2.gz PDNBJUFUNRFKFU-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471621 1274322255 /nfs/dbraw/zinc/32/22/55/1274322255.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471621 1274322260 /nfs/dbraw/zinc/32/22/60/1274322260.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471621 1274322265 /nfs/dbraw/zinc/32/22/65/1274322265.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035706433 1274386699 /nfs/dbraw/zinc/38/66/99/1274386699.db2.gz LLZPDGNZTWFUQP-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720169 1274406353 /nfs/dbraw/zinc/40/63/53/1274406353.db2.gz HEGTYCMSUMGSEZ-LJQANCHMSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741678 1274434236 /nfs/dbraw/zinc/43/42/36/1274434236.db2.gz QLIYAJKLJACNKP-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741573 1274434637 /nfs/dbraw/zinc/43/46/37/1274434637.db2.gz NNELMWBRMDNLIC-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035806896 1274533949 /nfs/dbraw/zinc/53/39/49/1274533949.db2.gz DATLNKRXGXQJHJ-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859687 1274614603 /nfs/dbraw/zinc/61/46/03/1274614603.db2.gz WSGMMRSPMTUFCX-HDICACEKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879928 1274760746 /nfs/dbraw/zinc/76/07/46/1274760746.db2.gz SDDKBGWGSVXDGN-YRXWBPOGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966311 1274916035 /nfs/dbraw/zinc/91/60/35/1274916035.db2.gz LLJGCFBPQCVTFC-JKBKZWBZSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966311 1274916044 /nfs/dbraw/zinc/91/60/44/1274916044.db2.gz LLJGCFBPQCVTFC-JKBKZWBZSA-N 2 1 341.499 2.761 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967846 1274921442 /nfs/dbraw/zinc/92/14/42/1274921442.db2.gz OWFRKUZMLCLZPC-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967846 1274921451 /nfs/dbraw/zinc/92/14/51/1274921451.db2.gz OWFRKUZMLCLZPC-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967846 1274921457 /nfs/dbraw/zinc/92/14/57/1274921457.db2.gz OWFRKUZMLCLZPC-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967846 1274921465 /nfs/dbraw/zinc/92/14/65/1274921465.db2.gz OWFRKUZMLCLZPC-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036202816 1275220565 /nfs/dbraw/zinc/22/05/65/1275220565.db2.gz KVSXTWXMXFHTER-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666876 1275738572 /nfs/dbraw/zinc/73/85/72/1275738572.db2.gz BGLGHYGBWIFAJE-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666876 1275738576 /nfs/dbraw/zinc/73/85/76/1275738576.db2.gz BGLGHYGBWIFAJE-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666876 1275738580 /nfs/dbraw/zinc/73/85/80/1275738580.db2.gz BGLGHYGBWIFAJE-IBGZPJMESA-N 2 1 327.472 2.991 20 30 EFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000746674668 1275749563 /nfs/dbraw/zinc/74/95/63/1275749563.db2.gz IFYNXGJVKJUPAU-IBGZPJMESA-N 2 1 331.460 2.522 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112911661 1276233472 /nfs/dbraw/zinc/23/34/72/1276233472.db2.gz WKSZMLFBZNDDPL-QGZVFWFLSA-N 2 1 327.488 2.557 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135996776 1276287453 /nfs/dbraw/zinc/28/74/53/1276287453.db2.gz VQLOWZZSPLNNPJ-IRXDYDNUSA-N 2 1 344.503 2.663 20 30 EFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877710 1276308563 /nfs/dbraw/zinc/30/85/63/1276308563.db2.gz FUNSBESLGZWOPL-IAGOWNOFSA-N 2 1 332.492 2.685 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965610 1276352205 /nfs/dbraw/zinc/35/22/05/1276352205.db2.gz LIKZWIOAVCVXJA-IEBWSBKVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008316 1276473541 /nfs/dbraw/zinc/47/35/41/1276473541.db2.gz NCGCLOBAGRFEFU-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008316 1276473549 /nfs/dbraw/zinc/47/35/49/1276473549.db2.gz NCGCLOBAGRFEFU-MOPGFXCFSA-N 2 1 333.520 2.894 20 30 EFEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016480 1276591023 /nfs/dbraw/zinc/59/10/23/1276591023.db2.gz ZQZOHYQIBHGWND-RBBKRZOGSA-N 2 1 349.478 2.746 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819023586 1276593740 /nfs/dbraw/zinc/59/37/40/1276593740.db2.gz GWXLFYQFRXNODM-UHFFFAOYSA-N 2 1 344.503 2.711 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057419 1276677127 /nfs/dbraw/zinc/67/71/27/1276677127.db2.gz QGPXCVJONXFVMM-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057419 1276677136 /nfs/dbraw/zinc/67/71/36/1276677136.db2.gz QGPXCVJONXFVMM-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005893466 1276696540 /nfs/dbraw/zinc/69/65/40/1276696540.db2.gz YDXQGCRNMXQBTR-QGZVFWFLSA-N 2 1 344.503 2.643 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013994 1276947070 /nfs/dbraw/zinc/94/70/70/1276947070.db2.gz XJEWPYOQNXBAMS-RUYXUALKSA-N 2 1 335.536 2.735 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000820810410 1277317659 /nfs/dbraw/zinc/31/76/59/1277317659.db2.gz WLQJRZSHBSBZDX-INIZCTEOSA-N 2 1 325.460 2.958 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597522 1278044945 /nfs/dbraw/zinc/04/49/45/1278044945.db2.gz JWKDGCNXNULPBZ-VQTJNVASSA-N 2 1 346.434 2.718 20 30 EFEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272739 1287387291 /nfs/dbraw/zinc/38/72/91/1287387291.db2.gz LVIARCIWTNBUEY-NVXWUHKLSA-N 2 1 332.492 2.595 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236044 1280292697 /nfs/dbraw/zinc/29/26/97/1280292697.db2.gz KMDZLXXSALCDHA-IAGOWNOFSA-N 2 1 343.943 2.981 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171307712 1281190758 /nfs/dbraw/zinc/19/07/58/1281190758.db2.gz LFTRYBXGNDDFHC-ICSRJNTNSA-N 2 1 341.499 2.549 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171307712 1281190761 /nfs/dbraw/zinc/19/07/61/1281190761.db2.gz LFTRYBXGNDDFHC-ICSRJNTNSA-N 2 1 341.499 2.549 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC ZINC001171308109 1281192220 /nfs/dbraw/zinc/19/22/20/1281192220.db2.gz OYFPDCSQQZBUCT-MJGOQNOKSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC ZINC001171308109 1281192225 /nfs/dbraw/zinc/19/22/25/1281192225.db2.gz OYFPDCSQQZBUCT-MJGOQNOKSA-N 2 1 335.536 2.785 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573311 1281209306 /nfs/dbraw/zinc/20/93/06/1281209306.db2.gz ZYIOPFZFWCGMCP-LJQANCHMSA-N 2 1 347.547 2.833 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658687 1281231981 /nfs/dbraw/zinc/23/19/81/1281231981.db2.gz XKRDTUXNJFHXDE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658687 1281231989 /nfs/dbraw/zinc/23/19/89/1281231989.db2.gz XKRDTUXNJFHXDE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658687 1281231995 /nfs/dbraw/zinc/23/19/95/1281231995.db2.gz XKRDTUXNJFHXDE-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658688 1281232430 /nfs/dbraw/zinc/23/24/30/1281232430.db2.gz XKRDTUXNJFHXDE-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658688 1281232436 /nfs/dbraw/zinc/23/24/36/1281232436.db2.gz XKRDTUXNJFHXDE-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658688 1281232440 /nfs/dbraw/zinc/23/24/40/1281232440.db2.gz XKRDTUXNJFHXDE-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780366 1281281605 /nfs/dbraw/zinc/28/16/05/1281281605.db2.gz JLXRPIIQGXASOY-GOSISDBHSA-N 2 1 345.531 2.751 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784273 1287486016 /nfs/dbraw/zinc/48/60/16/1287486016.db2.gz HRYZUHVDNMWXCB-RTBURBONSA-N 2 1 347.547 2.929 20 30 EFEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020995 1287488497 /nfs/dbraw/zinc/48/84/97/1287488497.db2.gz KVRWXRIGQJBTRQ-HOTGVXAUSA-N 2 1 332.492 2.601 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846631 1281319163 /nfs/dbraw/zinc/31/91/63/1281319163.db2.gz HFQFJDBECPKBJJ-UHFFFAOYSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684793 1281443635 /nfs/dbraw/zinc/44/36/35/1281443635.db2.gz QMQYOAMHHXNLSA-HLIPFELVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684793 1281443640 /nfs/dbraw/zinc/44/36/40/1281443640.db2.gz QMQYOAMHHXNLSA-HLIPFELVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458666 1281559147 /nfs/dbraw/zinc/55/91/47/1281559147.db2.gz RIHZSBYPEOSSBC-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458666 1281559156 /nfs/dbraw/zinc/55/91/56/1281559156.db2.gz RIHZSBYPEOSSBC-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458666 1281559161 /nfs/dbraw/zinc/55/91/61/1281559161.db2.gz RIHZSBYPEOSSBC-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458666 1281559166 /nfs/dbraw/zinc/55/91/66/1281559166.db2.gz RIHZSBYPEOSSBC-UHFFFAOYSA-N 2 1 341.927 2.785 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737369 1281684265 /nfs/dbraw/zinc/68/42/65/1281684265.db2.gz KHOWBOUENSKTEX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737369 1281684274 /nfs/dbraw/zinc/68/42/74/1281684274.db2.gz KHOWBOUENSKTEX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737369 1281684282 /nfs/dbraw/zinc/68/42/82/1281684282.db2.gz KHOWBOUENSKTEX-GGPKGHCWSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738109 1281686796 /nfs/dbraw/zinc/68/67/96/1281686796.db2.gz QLYGOGZOWPUVAH-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738109 1281686808 /nfs/dbraw/zinc/68/68/08/1281686808.db2.gz QLYGOGZOWPUVAH-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738109 1281686816 /nfs/dbraw/zinc/68/68/16/1281686816.db2.gz QLYGOGZOWPUVAH-QFUCXCTJSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657161 1281717560 /nfs/dbraw/zinc/71/75/60/1281717560.db2.gz OQFVYJKTYLKDKW-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657161 1281717563 /nfs/dbraw/zinc/71/75/63/1281717563.db2.gz OQFVYJKTYLKDKW-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657161 1281717573 /nfs/dbraw/zinc/71/75/73/1281717573.db2.gz OQFVYJKTYLKDKW-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900309 1281800271 /nfs/dbraw/zinc/80/02/71/1281800271.db2.gz ZCOKIXADLUQJHM-UHFFFAOYSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910362 1281913281 /nfs/dbraw/zinc/91/32/81/1281913281.db2.gz RQJLFXRMVIIYMF-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704078 1287539648 /nfs/dbraw/zinc/53/96/48/1287539648.db2.gz RHRHHKFNHRLBBA-HNNXBMFYSA-N 2 1 340.899 2.989 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928047 1281989753 /nfs/dbraw/zinc/98/97/53/1281989753.db2.gz UOIJZLNLDYAKSA-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928151 1281990122 /nfs/dbraw/zinc/99/01/22/1281990122.db2.gz WPQXSODELVMYSK-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369436 /nfs/dbraw/zinc/36/94/36/1282369436.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369441 /nfs/dbraw/zinc/36/94/41/1282369441.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369445 /nfs/dbraw/zinc/36/94/45/1282369445.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071339 1282369489 /nfs/dbraw/zinc/36/94/89/1282369489.db2.gz RPKYQOXJSPYESA-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190678 1282449664 /nfs/dbraw/zinc/44/96/64/1282449664.db2.gz UGCZJVBJRFYKKB-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190678 1282449668 /nfs/dbraw/zinc/44/96/68/1282449668.db2.gz UGCZJVBJRFYKKB-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190678 1282449675 /nfs/dbraw/zinc/44/96/75/1282449675.db2.gz UGCZJVBJRFYKKB-GGPKGHCWSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092299868 1282548560 /nfs/dbraw/zinc/54/85/60/1282548560.db2.gz KHGWSHPWSVJYRA-NQIIRXRSSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676685 1282941933 /nfs/dbraw/zinc/94/19/33/1282941933.db2.gz IUMKRXHEDQGEMV-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676685 1282941944 /nfs/dbraw/zinc/94/19/44/1282941944.db2.gz IUMKRXHEDQGEMV-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676685 1282941956 /nfs/dbraw/zinc/94/19/56/1282941956.db2.gz IUMKRXHEDQGEMV-LMMKCTJWSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092756609 1283005801 /nfs/dbraw/zinc/00/58/01/1283005801.db2.gz FTLCGFQTARQZMC-IUODEOHRSA-N 2 1 346.862 2.693 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141142 1283066843 /nfs/dbraw/zinc/06/68/43/1283066843.db2.gz OKROYEDZMQPPRF-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141142 1283066849 /nfs/dbraw/zinc/06/68/49/1283066849.db2.gz OKROYEDZMQPPRF-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141142 1283066856 /nfs/dbraw/zinc/06/68/56/1283066856.db2.gz OKROYEDZMQPPRF-DLBZAZTESA-N 2 1 333.520 2.632 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141528 1283068044 /nfs/dbraw/zinc/06/80/44/1283068044.db2.gz RJXUJBLIPOIKKP-ZWKOTPCHSA-N 2 1 344.503 2.843 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175930219 1287619761 /nfs/dbraw/zinc/61/97/61/1287619761.db2.gz ROROUZXLEPGYBF-INIZCTEOSA-N 2 1 341.459 2.722 20 30 EFEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206093 1283155559 /nfs/dbraw/zinc/15/55/59/1283155559.db2.gz DQKLLJNYIZNZNI-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206093 1283155564 /nfs/dbraw/zinc/15/55/64/1283155564.db2.gz DQKLLJNYIZNZNI-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206093 1283155568 /nfs/dbraw/zinc/15/55/68/1283155568.db2.gz DQKLLJNYIZNZNI-ZWKOTPCHSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731405 1283293148 /nfs/dbraw/zinc/29/31/48/1283293148.db2.gz SSBZVZZFRYISHU-RDJZCZTQSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731602 1283293866 /nfs/dbraw/zinc/29/38/66/1283293866.db2.gz WNQABHBDEWRPIW-ZBFHGGJFSA-N 2 1 333.501 2.532 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310428 1283305043 /nfs/dbraw/zinc/30/50/43/1283305043.db2.gz KSNRLYGGIVVSMM-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310428 1283305056 /nfs/dbraw/zinc/30/50/56/1283305056.db2.gz KSNRLYGGIVVSMM-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310428 1283305069 /nfs/dbraw/zinc/30/50/69/1283305069.db2.gz KSNRLYGGIVVSMM-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310428 1283305076 /nfs/dbraw/zinc/30/50/76/1283305076.db2.gz KSNRLYGGIVVSMM-AZUAARDMSA-N 2 1 343.515 2.706 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754255 1283419456 /nfs/dbraw/zinc/41/94/56/1283419456.db2.gz CQSNRDFCBXTPNA-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754255 1283419467 /nfs/dbraw/zinc/41/94/67/1283419467.db2.gz CQSNRDFCBXTPNA-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754255 1283419474 /nfs/dbraw/zinc/41/94/74/1283419474.db2.gz CQSNRDFCBXTPNA-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754516 1283421180 /nfs/dbraw/zinc/42/11/80/1283421180.db2.gz HLXXQRWVHHNOLA-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754516 1283421185 /nfs/dbraw/zinc/42/11/85/1283421185.db2.gz HLXXQRWVHHNOLA-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754516 1283421190 /nfs/dbraw/zinc/42/11/90/1283421190.db2.gz HLXXQRWVHHNOLA-FUHWJXTLSA-N 2 1 333.520 2.748 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420605 1283515800 /nfs/dbraw/zinc/51/58/00/1283515800.db2.gz VQXVWGSJIYBVQS-RTBURBONSA-N 2 1 335.536 2.881 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773720 1283554676 /nfs/dbraw/zinc/55/46/76/1283554676.db2.gz RWGNJLXYOSQGHU-RHSMWYFYSA-N 2 1 344.846 2.623 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773781 1283555469 /nfs/dbraw/zinc/55/54/69/1283555469.db2.gz SVIGVVUCPGVWQI-QFBILLFUSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@H]21 ZINC001036779222 1283607238 /nfs/dbraw/zinc/60/72/38/1283607238.db2.gz GVHYQGSQDOHBGY-UYAOXDASSA-N 2 1 341.499 2.513 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518638 1283779797 /nfs/dbraw/zinc/77/97/97/1283779797.db2.gz LZVJSNCXMUFHNJ-UYAOXDASSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518634 1283779871 /nfs/dbraw/zinc/77/98/71/1283779871.db2.gz LZVJSNCXMUFHNJ-ICSRJNTNSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093361298 1283784454 /nfs/dbraw/zinc/78/44/54/1283784454.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093361298 1283784460 /nfs/dbraw/zinc/78/44/60/1283784460.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093361298 1283784467 /nfs/dbraw/zinc/78/44/67/1283784467.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093361539 1283784709 /nfs/dbraw/zinc/78/47/09/1283784709.db2.gz LPWXWOZHGXZKQG-OALUTQOASA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374025 1283818336 /nfs/dbraw/zinc/81/83/36/1283818336.db2.gz XJOBZMMMFKHGED-QZTJIDSGSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001093377039 1283828688 /nfs/dbraw/zinc/82/86/88/1283828688.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093377039 1283828695 /nfs/dbraw/zinc/82/86/95/1283828695.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093377039 1283828703 /nfs/dbraw/zinc/82/87/03/1283828703.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093382849 1283853474 /nfs/dbraw/zinc/85/34/74/1283853474.db2.gz FDAKAEYABFWGHR-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382849 1283853479 /nfs/dbraw/zinc/85/34/79/1283853479.db2.gz FDAKAEYABFWGHR-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382849 1283853490 /nfs/dbraw/zinc/85/34/90/1283853490.db2.gz FDAKAEYABFWGHR-RTBURBONSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000815652906 1287671332 /nfs/dbraw/zinc/67/13/32/1287671332.db2.gz ZXKYKFASKZNAJK-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000815652906 1287671343 /nfs/dbraw/zinc/67/13/43/1287671343.db2.gz ZXKYKFASKZNAJK-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060196 /nfs/dbraw/zinc/06/01/96/1284060196.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060200 /nfs/dbraw/zinc/06/02/00/1284060200.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060205 /nfs/dbraw/zinc/06/02/05/1284060205.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832565 1284137220 /nfs/dbraw/zinc/13/72/20/1284137220.db2.gz DYMCJTSGIBDHQL-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832565 1284137225 /nfs/dbraw/zinc/13/72/25/1284137225.db2.gz DYMCJTSGIBDHQL-IRXDYDNUSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871757 1284429191 /nfs/dbraw/zinc/42/91/91/1284429191.db2.gz PWWMQGJPCQVDMT-SJLPKXTDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871757 1284429197 /nfs/dbraw/zinc/42/91/97/1284429197.db2.gz PWWMQGJPCQVDMT-SJLPKXTDSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871758 1284429358 /nfs/dbraw/zinc/42/93/58/1284429358.db2.gz PWWMQGJPCQVDMT-WMZOPIPTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871758 1284429363 /nfs/dbraw/zinc/42/93/63/1284429363.db2.gz PWWMQGJPCQVDMT-WMZOPIPTSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867466 1284441748 /nfs/dbraw/zinc/44/17/48/1284441748.db2.gz VPLNLMONNDZTTJ-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132932646 1284485287 /nfs/dbraw/zinc/48/52/87/1284485287.db2.gz KOWNKXLUWVOPAK-UKRRQHHQSA-N 2 1 329.916 2.543 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120255 1287718127 /nfs/dbraw/zinc/71/81/27/1287718127.db2.gz MBKXWYVHOGLPOH-AZUAARDMSA-N 2 1 343.515 2.967 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120258 1287718748 /nfs/dbraw/zinc/71/87/48/1287718748.db2.gz MBKXWYVHOGLPOH-UYAOXDASSA-N 2 1 343.515 2.967 20 30 EFEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133120780 1284829636 /nfs/dbraw/zinc/82/96/36/1284829636.db2.gz AYPMBROLSGIARV-MSOLQXFVSA-N 2 1 335.536 2.759 20 30 EFEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121978 1284831246 /nfs/dbraw/zinc/83/12/46/1284831246.db2.gz NCNQZMJGAYCEED-ROUUACIJSA-N 2 1 335.536 2.759 20 30 EFEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185667 1284952357 /nfs/dbraw/zinc/95/23/57/1284952357.db2.gz HBFQPCBMEPYFDZ-MOPGFXCFSA-N 2 1 335.536 2.596 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434023 1285078911 /nfs/dbraw/zinc/07/89/11/1285078911.db2.gz NQKONOWQXNLFJL-SFHLNBCPSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434023 1285078923 /nfs/dbraw/zinc/07/89/23/1285078923.db2.gz NQKONOWQXNLFJL-SFHLNBCPSA-N 2 1 345.531 2.940 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434023 1285078935 /nfs/dbraw/zinc/07/89/35/1285078935.db2.gz NQKONOWQXNLFJL-SFHLNBCPSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094498105 1285161775 /nfs/dbraw/zinc/16/17/75/1285161775.db2.gz YDXYLKIJXVXNJS-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094498105 1285161785 /nfs/dbraw/zinc/16/17/85/1285161785.db2.gz YDXYLKIJXVXNJS-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094498105 1285161790 /nfs/dbraw/zinc/16/17/90/1285161790.db2.gz YDXYLKIJXVXNJS-PNYFIKQUSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001133392963 1285336481 /nfs/dbraw/zinc/33/64/81/1285336481.db2.gz VQQFGXUIMOIDQT-GOSISDBHSA-N 2 1 349.906 2.929 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902141 1285380897 /nfs/dbraw/zinc/38/08/97/1285380897.db2.gz FTIDTFXQGIFPEI-QUCCMNQESA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904109 1285391841 /nfs/dbraw/zinc/39/18/41/1285391841.db2.gz MQXHLORBNZFBRD-IRXDYDNUSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160166 1285437686 /nfs/dbraw/zinc/43/76/86/1285437686.db2.gz BRXDZPAMFZMOMP-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160166 1285437691 /nfs/dbraw/zinc/43/76/91/1285437691.db2.gz BRXDZPAMFZMOMP-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160392 1285439912 /nfs/dbraw/zinc/43/99/12/1285439912.db2.gz MQRVMSQNVJHNET-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160392 1285439917 /nfs/dbraw/zinc/43/99/17/1285439917.db2.gz MQRVMSQNVJHNET-FUMNGEBKSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825707 1285795692 /nfs/dbraw/zinc/79/56/92/1285795692.db2.gz GUAHNRMZHVCMOM-INIZCTEOSA-N 2 1 332.492 2.603 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171808804 1285824748 /nfs/dbraw/zinc/82/47/48/1285824748.db2.gz DTRSJJBQVMUFJQ-LJQANCHMSA-N 2 1 343.490 2.585 20 30 EFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129271 1286012392 /nfs/dbraw/zinc/01/23/92/1286012392.db2.gz XXJWEFYOGPWJFG-PIIMJCKOSA-N 2 1 342.462 2.835 20 30 EFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129271 1286012402 /nfs/dbraw/zinc/01/24/02/1286012402.db2.gz XXJWEFYOGPWJFG-PIIMJCKOSA-N 2 1 342.462 2.835 20 30 EFEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114738 1286025706 /nfs/dbraw/zinc/02/57/06/1286025706.db2.gz SRIOMXCIUKVFND-PIIMJCKOSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172113957 1286025717 /nfs/dbraw/zinc/02/57/17/1286025717.db2.gz NDMOPBVFKLUVMB-BCDXTJNWSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120865 1286030298 /nfs/dbraw/zinc/03/02/98/1286030298.db2.gz GPTOQUIKQLTZEF-MFKWGIFDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120865 1286030299 /nfs/dbraw/zinc/03/02/99/1286030299.db2.gz GPTOQUIKQLTZEF-MFKWGIFDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120865 1286030301 /nfs/dbraw/zinc/03/03/01/1286030301.db2.gz GPTOQUIKQLTZEF-MFKWGIFDSA-N 2 1 334.504 2.828 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122646 1286031073 /nfs/dbraw/zinc/03/10/73/1286031073.db2.gz RQMODGUNGALAJI-SFNKJDCFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122646 1286031082 /nfs/dbraw/zinc/03/10/82/1286031082.db2.gz RQMODGUNGALAJI-SFNKJDCFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122646 1286031085 /nfs/dbraw/zinc/03/10/85/1286031085.db2.gz RQMODGUNGALAJI-SFNKJDCFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122646 1286031089 /nfs/dbraw/zinc/03/10/89/1286031089.db2.gz RQMODGUNGALAJI-SFNKJDCFSA-N 2 1 344.503 2.537 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103485 1286101122 /nfs/dbraw/zinc/10/11/22/1286101122.db2.gz WWPPYUOBAHCLPV-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103485 1286101131 /nfs/dbraw/zinc/10/11/31/1286101131.db2.gz WWPPYUOBAHCLPV-SQNIBIBYSA-N 2 1 330.476 2.659 20 30 EFEDMP CCCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133922118 1286118590 /nfs/dbraw/zinc/11/85/90/1286118590.db2.gz QHVSQMNPPXTAGV-UHFFFAOYSA-N 2 1 333.520 2.837 20 30 EFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172497358 1286171895 /nfs/dbraw/zinc/17/18/95/1286171895.db2.gz BHSHMKHWWURHFV-DFQSSKMNSA-N 2 1 342.487 2.687 20 30 EFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172497358 1286171900 /nfs/dbraw/zinc/17/19/00/1286171900.db2.gz BHSHMKHWWURHFV-DFQSSKMNSA-N 2 1 342.487 2.687 20 30 EFEDMP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989170 1286365887 /nfs/dbraw/zinc/36/58/87/1286365887.db2.gz GGDAFLCQZLSIIC-CVEARBPZSA-N 2 1 338.496 2.552 20 30 EFEDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989170 1286365895 /nfs/dbraw/zinc/36/58/95/1286365895.db2.gz GGDAFLCQZLSIIC-CVEARBPZSA-N 2 1 338.496 2.552 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086739955 1288095017 /nfs/dbraw/zinc/09/50/17/1288095017.db2.gz BDEFKYUFTCAICV-GVDBMIGSSA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728393 1312671305 /nfs/dbraw/zinc/67/13/05/1312671305.db2.gz QRMVMVQSQJXSLX-HOTGVXAUSA-N 2 1 339.911 2.632 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680263 1288252770 /nfs/dbraw/zinc/25/27/70/1288252770.db2.gz UAVZJHRTRCBYJQ-KGLIPLIRSA-N 2 1 326.872 2.597 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135785325 1288367886 /nfs/dbraw/zinc/36/78/86/1288367886.db2.gz UTVNVMSSOHVCHR-KGLIPLIRSA-N 2 1 347.850 2.506 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784871 1288394109 /nfs/dbraw/zinc/39/41/09/1288394109.db2.gz YYHGHKDSISQIDB-SCTDSRPQSA-N 2 1 333.520 2.844 20 30 EFEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177341733 1288400568 /nfs/dbraw/zinc/40/05/68/1288400568.db2.gz BIDBMGXKQZGCRA-FQEVSTJZSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368711 1288405002 /nfs/dbraw/zinc/40/50/02/1288405002.db2.gz SWUHBEHGZBIVFH-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177416101 1288424484 /nfs/dbraw/zinc/42/44/84/1288424484.db2.gz UJFFMHUHXZXPPS-UHFFFAOYSA-N 2 1 347.547 2.740 20 30 EFEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177416268 1288424591 /nfs/dbraw/zinc/42/45/91/1288424591.db2.gz YIVZJRNLZIBFBM-UHFFFAOYSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177466883 1288431521 /nfs/dbraw/zinc/43/15/21/1288431521.db2.gz IAOAWOPDCDTZCT-IBGZPJMESA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484722 1288445834 /nfs/dbraw/zinc/44/58/34/1288445834.db2.gz IRSFFCOQXRJSOY-UHFFFAOYSA-N 2 1 332.492 2.766 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165736116 1312672386 /nfs/dbraw/zinc/67/23/86/1312672386.db2.gz HRVLZOQUKKYMHE-ROUUACIJSA-N 2 1 333.520 2.846 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353311 1302763363 /nfs/dbraw/zinc/76/33/63/1302763363.db2.gz PPJXWMBORMBPBI-XWTMOSNGSA-N 2 1 341.515 2.683 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114353443 1302765587 /nfs/dbraw/zinc/76/55/87/1302765587.db2.gz SBRXHBKBPLNYFE-SIXLDLHFSA-N 2 1 347.528 2.824 20 30 EFEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178689491 1288872116 /nfs/dbraw/zinc/87/21/16/1288872116.db2.gz ZGPSCVBOOPRORL-QGZVFWFLSA-N 2 1 343.943 2.983 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539382 1289183633 /nfs/dbraw/zinc/18/36/33/1289183633.db2.gz WOPJSBPHIQMKNS-BXWFABGCSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179585085 1289202579 /nfs/dbraw/zinc/20/25/79/1289202579.db2.gz CEADZTSIPWCHBZ-SFHVURJKSA-N 2 1 327.488 2.651 20 30 EFEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001180039686 1289392217 /nfs/dbraw/zinc/39/22/17/1289392217.db2.gz HCUNZPORQAYHMV-LJQANCHMSA-N 2 1 329.488 2.579 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926858 1312705585 /nfs/dbraw/zinc/70/55/85/1312705585.db2.gz GZBZTTWZCAVCDG-MRXNPFEDSA-N 2 1 341.927 2.735 20 30 EFEDMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180369784 1289516776 /nfs/dbraw/zinc/51/67/76/1289516776.db2.gz XKQBEMDAFZYZFF-UHFFFAOYSA-N 2 1 344.503 2.665 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441143 1289807682 /nfs/dbraw/zinc/80/76/82/1289807682.db2.gz MJDGMKAMSHHHHP-QWFCFKBJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672360 1289898685 /nfs/dbraw/zinc/89/86/85/1289898685.db2.gz WQMZUQYHRFTKJX-UWWQBHOKSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671857 1289899101 /nfs/dbraw/zinc/89/91/01/1289899101.db2.gz RKMNXSDXNGCDNA-WSTZPKSXSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720703 1289914721 /nfs/dbraw/zinc/91/47/21/1289914721.db2.gz NBHTYAHPHLYTDR-WSTZPKSXSA-N 2 1 335.536 2.615 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001181763751 1289932454 /nfs/dbraw/zinc/93/24/54/1289932454.db2.gz JEHQKTDLMKMMDX-SLYNCCJLSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001181763751 1289932466 /nfs/dbraw/zinc/93/24/66/1289932466.db2.gz JEHQKTDLMKMMDX-SLYNCCJLSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736295 1289938861 /nfs/dbraw/zinc/93/88/61/1289938861.db2.gz KITJDSFUUDOLTA-MBOZVWFJSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896679 1290271911 /nfs/dbraw/zinc/27/19/11/1290271911.db2.gz CDGDADGOAXABPV-VQIMIIECSA-N 2 1 332.492 2.622 20 30 EFEDMP CC#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166390849 1312770121 /nfs/dbraw/zinc/77/01/21/1312770121.db2.gz OZZWRQTUERFBKP-UHFFFAOYSA-N 2 1 333.520 2.540 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517178 1290352706 /nfs/dbraw/zinc/35/27/06/1290352706.db2.gz SWVBKQPZGFOTMG-QWFCFKBJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516890 1290353339 /nfs/dbraw/zinc/35/33/39/1290353339.db2.gz DDZHDJHPGWDTDA-WSTZPKSXSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171168 1290608951 /nfs/dbraw/zinc/60/89/51/1290608951.db2.gz URRUGMYBWVEPTA-GDBMZVCRSA-N 2 1 343.943 2.791 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170806 1290609435 /nfs/dbraw/zinc/60/94/35/1290609435.db2.gz RZKFQAZMJHOSFO-MSOLQXFVSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000876736968 1290995014 /nfs/dbraw/zinc/99/50/14/1290995014.db2.gz YNKGRGYYXZIECI-IRXDYDNUSA-N 2 1 335.879 2.627 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793046 1312843109 /nfs/dbraw/zinc/84/31/09/1312843109.db2.gz CDQVNYWDBPOIER-SFHVURJKSA-N 2 1 335.536 2.951 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944616 1291270168 /nfs/dbraw/zinc/27/01/68/1291270168.db2.gz KTJKXWQEPOAGOX-XUVXKRRUSA-N 2 1 347.547 2.831 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957994 1291273748 /nfs/dbraw/zinc/27/37/48/1291273748.db2.gz BPWZFBSFAWCYMV-FCGDIQPGSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957994 1291273751 /nfs/dbraw/zinc/27/37/51/1291273751.db2.gz BPWZFBSFAWCYMV-FCGDIQPGSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957994 1291273759 /nfs/dbraw/zinc/27/37/59/1291273759.db2.gz BPWZFBSFAWCYMV-FCGDIQPGSA-N 2 1 333.520 2.606 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803323 1312844594 /nfs/dbraw/zinc/84/45/94/1312844594.db2.gz QXUBHCLOEUDGRA-LJQANCHMSA-N 2 1 345.531 2.683 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561531 1291769083 /nfs/dbraw/zinc/76/90/83/1291769083.db2.gz SFAGSZZRODUKCS-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611746 1312881215 /nfs/dbraw/zinc/88/12/15/1312881215.db2.gz FSRBFKLECKKBRD-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603216 1291856062 /nfs/dbraw/zinc/85/60/62/1291856062.db2.gz OKXDVONYGIVSLR-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001189942443 1291942824 /nfs/dbraw/zinc/94/28/24/1291942824.db2.gz PKOIBIBCSHTPQB-FUHWJXTLSA-N 2 1 330.476 2.540 20 30 EFEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647477 1291959468 /nfs/dbraw/zinc/95/94/68/1291959468.db2.gz JLMOHUSVMAQFOJ-KDURUIRLSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221807 1292050270 /nfs/dbraw/zinc/05/02/70/1292050270.db2.gz ONWWSALDZWQMFM-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475746 1312903020 /nfs/dbraw/zinc/90/30/20/1312903020.db2.gz ARHOODDAGLKMOS-QZTJIDSGSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247842 1292080338 /nfs/dbraw/zinc/08/03/38/1292080338.db2.gz UAKURXJHLCLPSX-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247842 1292080344 /nfs/dbraw/zinc/08/03/44/1292080344.db2.gz UAKURXJHLCLPSX-SJORKVTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261055 1292086978 /nfs/dbraw/zinc/08/69/78/1292086978.db2.gz ZALAYPIHSLIVIJ-WMZOPIPTSA-N 2 1 344.503 2.649 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652334 1312904781 /nfs/dbraw/zinc/90/47/81/1312904781.db2.gz RWXJXOPWRNQTJR-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652517 1312905436 /nfs/dbraw/zinc/90/54/36/1312905436.db2.gz SUQUXACUIBFBQB-HOTGVXAUSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016653750 1312905999 /nfs/dbraw/zinc/90/59/99/1312905999.db2.gz BLLHXOHPNRSEEZ-MSOLQXFVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445646 1292165156 /nfs/dbraw/zinc/16/51/56/1292165156.db2.gz ZJGIKFZPEHXGPJ-QZTJIDSGSA-N 2 1 341.515 2.945 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480734 1292178148 /nfs/dbraw/zinc/17/81/48/1292178148.db2.gz HTVHERTUGYYFRI-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479050 1312908175 /nfs/dbraw/zinc/90/81/75/1312908175.db2.gz XHONWSADRQKUNU-ROUUACIJSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660819 1312910041 /nfs/dbraw/zinc/91/00/41/1312910041.db2.gz BZTWKVRMJMMANM-MSOLQXFVSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485479 1312913209 /nfs/dbraw/zinc/91/32/09/1312913209.db2.gz NWBREYYRAWYALD-IXDOHACOSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485479 1312913213 /nfs/dbraw/zinc/91/32/13/1312913213.db2.gz NWBREYYRAWYALD-IXDOHACOSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485477 1312913695 /nfs/dbraw/zinc/91/36/95/1312913695.db2.gz NWBREYYRAWYALD-BRWVUGGUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485477 1312913698 /nfs/dbraw/zinc/91/36/98/1312913698.db2.gz NWBREYYRAWYALD-BRWVUGGUSA-N 2 1 330.476 2.648 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000775408340 1292298056 /nfs/dbraw/zinc/29/80/56/1292298056.db2.gz JFEYIFBNKPCOBO-QGZVFWFLSA-N 2 1 331.460 2.950 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428328 1312922580 /nfs/dbraw/zinc/92/25/80/1312922580.db2.gz XXVGGYHKVAJPGE-IRXDYDNUSA-N 2 1 335.536 2.948 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191010394 1292423528 /nfs/dbraw/zinc/42/35/28/1292423528.db2.gz LRCLUDHOXGNXEY-IEBWSBKVSA-N 2 1 346.519 2.949 20 30 EFEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070546 1292448445 /nfs/dbraw/zinc/44/84/45/1292448445.db2.gz QNUHOCFQOBXRLS-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070546 1292448450 /nfs/dbraw/zinc/44/84/50/1292448450.db2.gz QNUHOCFQOBXRLS-MRXNPFEDSA-N 2 1 348.491 2.629 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191081324 1292456663 /nfs/dbraw/zinc/45/66/63/1292456663.db2.gz QZLWSYZYKAUVJV-KRWDZBQOSA-N 2 1 326.444 2.755 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203452841 1312928148 /nfs/dbraw/zinc/92/81/48/1312928148.db2.gz QJZNDGLNPQUBFQ-SJORKVTESA-N 2 1 344.503 2.990 20 30 EFEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493814 1312938419 /nfs/dbraw/zinc/93/84/19/1312938419.db2.gz XANSFGLUGMIRLB-ROUUACIJSA-N 2 1 344.503 2.955 20 30 EFEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508570 1312941924 /nfs/dbraw/zinc/94/19/24/1312941924.db2.gz ZDYGIRCZLNVWAB-MSOLQXFVSA-N 2 1 333.520 2.539 20 30 EFEDMP N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570966 1292654264 /nfs/dbraw/zinc/65/42/64/1292654264.db2.gz QWHMZHUZGMVHEF-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570966 1292654277 /nfs/dbraw/zinc/65/42/77/1292654277.db2.gz QWHMZHUZGMVHEF-HNNXBMFYSA-N 2 1 340.240 2.974 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514521 1312949885 /nfs/dbraw/zinc/94/98/85/1312949885.db2.gz GRVAGJZQJMYKBS-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514521 1312949888 /nfs/dbraw/zinc/94/98/88/1312949888.db2.gz GRVAGJZQJMYKBS-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514521 1312949892 /nfs/dbraw/zinc/94/98/92/1312949892.db2.gz GRVAGJZQJMYKBS-CEXWTWQISA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523844 1312963742 /nfs/dbraw/zinc/96/37/42/1312963742.db2.gz IAFUVKCXXAJSCR-KZNAEPCWSA-N 2 1 342.487 2.792 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523844 1312963747 /nfs/dbraw/zinc/96/37/47/1312963747.db2.gz IAFUVKCXXAJSCR-KZNAEPCWSA-N 2 1 342.487 2.792 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597911 1292939601 /nfs/dbraw/zinc/93/96/01/1292939601.db2.gz XOKKAPOSGCSFEZ-IRXDYDNUSA-N 2 1 332.492 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597911 1292939605 /nfs/dbraw/zinc/93/96/05/1292939605.db2.gz XOKKAPOSGCSFEZ-IRXDYDNUSA-N 2 1 332.492 2.894 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(CC)CC ZINC001049527833 1312969563 /nfs/dbraw/zinc/96/95/63/1312969563.db2.gz BDOAOGKNHXBCIB-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(CC)CC ZINC001049527833 1312969566 /nfs/dbraw/zinc/96/95/66/1312969566.db2.gz BDOAOGKNHXBCIB-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049527833 1312969567 /nfs/dbraw/zinc/96/95/67/1312969567.db2.gz BDOAOGKNHXBCIB-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049527833 1312969570 /nfs/dbraw/zinc/96/95/70/1312969570.db2.gz BDOAOGKNHXBCIB-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049529377 1312971510 /nfs/dbraw/zinc/97/15/10/1312971510.db2.gz LPPMVVDAYLCXKP-OTWHNJEPSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049529377 1312971514 /nfs/dbraw/zinc/97/15/14/1312971514.db2.gz LPPMVVDAYLCXKP-OTWHNJEPSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049529377 1312971516 /nfs/dbraw/zinc/97/15/16/1312971516.db2.gz LPPMVVDAYLCXKP-OTWHNJEPSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049529377 1312971520 /nfs/dbraw/zinc/97/15/20/1312971520.db2.gz LPPMVVDAYLCXKP-OTWHNJEPSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924312 1293111499 /nfs/dbraw/zinc/11/14/99/1293111499.db2.gz YNRHGALXTAVYLT-CVEARBPZSA-N 2 1 329.916 2.638 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924312 1293111500 /nfs/dbraw/zinc/11/15/00/1293111500.db2.gz YNRHGALXTAVYLT-CVEARBPZSA-N 2 1 329.916 2.638 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788499 1312980304 /nfs/dbraw/zinc/98/03/04/1312980304.db2.gz ZGVGROGULYQXJH-RBUKOAKNSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049538068 1312981290 /nfs/dbraw/zinc/98/12/90/1312981290.db2.gz SYTZGDNMKDFXPI-YESZJQIVSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049538068 1312981294 /nfs/dbraw/zinc/98/12/94/1312981294.db2.gz SYTZGDNMKDFXPI-YESZJQIVSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538068 1312981297 /nfs/dbraw/zinc/98/12/97/1312981297.db2.gz SYTZGDNMKDFXPI-YESZJQIVSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538068 1312981300 /nfs/dbraw/zinc/98/13/00/1312981300.db2.gz SYTZGDNMKDFXPI-YESZJQIVSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383245 1293284318 /nfs/dbraw/zinc/28/43/18/1293284318.db2.gz RAFTYHVKJDOQRB-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544889 1312992169 /nfs/dbraw/zinc/99/21/69/1312992169.db2.gz HGIPGWLWPFJRNA-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498020 1293325329 /nfs/dbraw/zinc/32/53/29/1293325329.db2.gz FDJAUFBTVLGHBQ-HOTGVXAUSA-N 2 1 330.476 2.649 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000883131637 1293474069 /nfs/dbraw/zinc/47/40/69/1293474069.db2.gz LCZWFVRILPMREY-UHFFFAOYSA-N 2 1 328.435 2.673 20 30 EFEDMP C#CC[N@@H+](C)CCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000883131637 1293474072 /nfs/dbraw/zinc/47/40/72/1293474072.db2.gz LCZWFVRILPMREY-UHFFFAOYSA-N 2 1 328.435 2.673 20 30 EFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007355 /nfs/dbraw/zinc/00/73/55/1313007355.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007358 /nfs/dbraw/zinc/00/73/58/1313007358.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007362 /nfs/dbraw/zinc/00/73/62/1313007362.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007365 /nfs/dbraw/zinc/00/73/65/1313007365.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007369 /nfs/dbraw/zinc/00/73/69/1313007369.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 1 339.483 2.739 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194226863 1293560555 /nfs/dbraw/zinc/56/05/55/1293560555.db2.gz HCACYXVUGGRJFO-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCCCC)C2)CC1 ZINC001194245433 1293568649 /nfs/dbraw/zinc/56/86/49/1293568649.db2.gz AIGLZGFXXZSEHY-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420654 1293626567 /nfs/dbraw/zinc/62/65/67/1293626567.db2.gz VBTACAHBRCVDMI-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420654 1293626572 /nfs/dbraw/zinc/62/65/72/1293626572.db2.gz VBTACAHBRCVDMI-INIZCTEOSA-N 2 1 327.900 2.538 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862016 1313015457 /nfs/dbraw/zinc/01/54/57/1313015457.db2.gz RQFNWKIYXGZAHC-QZTJIDSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563788 1313023240 /nfs/dbraw/zinc/02/32/40/1313023240.db2.gz DKKXUZHDSCGXKG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563788 1313023244 /nfs/dbraw/zinc/02/32/44/1313023244.db2.gz DKKXUZHDSCGXKG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563788 1313023248 /nfs/dbraw/zinc/02/32/48/1313023248.db2.gz DKKXUZHDSCGXKG-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568776 1313030867 /nfs/dbraw/zinc/03/08/67/1313030867.db2.gz WKFKKJMFFYSJNM-OTWHNJEPSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918738 1313047008 /nfs/dbraw/zinc/04/70/08/1313047008.db2.gz BSDPJNKTUSZBTJ-IBGZPJMESA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2cncn2c1 ZINC001049589692 1313058476 /nfs/dbraw/zinc/05/84/76/1313058476.db2.gz AWCPEWUGSPXKSJ-IAGOWNOFSA-N 2 1 344.846 2.766 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196524054 1294270632 /nfs/dbraw/zinc/27/06/32/1294270632.db2.gz ZXJLJTOEQFSHLN-QGZVFWFLSA-N 2 1 344.503 2.651 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196524054 1294270636 /nfs/dbraw/zinc/27/06/36/1294270636.db2.gz ZXJLJTOEQFSHLN-QGZVFWFLSA-N 2 1 344.503 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983476 1313071111 /nfs/dbraw/zinc/07/11/11/1313071111.db2.gz TZYOPHVPVHMRJY-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP COc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)cc1 ZINC000303701831 1294563134 /nfs/dbraw/zinc/56/31/34/1294563134.db2.gz ILLHUHJFNHAGFN-GOSISDBHSA-N 2 1 332.492 2.783 20 30 EFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303782836 1294581467 /nfs/dbraw/zinc/58/14/67/1294581467.db2.gz NRABGNOCIXQPPU-KRWDZBQOSA-N 2 1 330.476 2.537 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871588 1294592881 /nfs/dbraw/zinc/59/28/81/1294592881.db2.gz FYBOFCFZGDJBIQ-QGZVFWFLSA-N 2 1 340.471 2.607 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871581 1294593790 /nfs/dbraw/zinc/59/37/90/1294593790.db2.gz FYBOFCFZGDJBIQ-KRWDZBQOSA-N 2 1 340.471 2.607 20 30 EFEDMP C[N@@H+](Cc1ccccc1CNC(=[NH2+])N1CCOCC1)C1CCCCC1 ZINC000303881644 1294596227 /nfs/dbraw/zinc/59/62/27/1294596227.db2.gz LBHNDGTZFKHFMB-UHFFFAOYSA-N 2 1 344.503 2.598 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000303894357 1294598993 /nfs/dbraw/zinc/59/89/93/1294598993.db2.gz SOQJGWNKQRQUAB-OAHLLOKOSA-N 2 1 338.455 2.869 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000303894357 1294599002 /nfs/dbraw/zinc/59/90/02/1294599002.db2.gz SOQJGWNKQRQUAB-OAHLLOKOSA-N 2 1 338.455 2.869 20 30 EFEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303898998 1294600778 /nfs/dbraw/zinc/60/07/78/1294600778.db2.gz VWEMUPHQXFBFFO-PKOBYXMFSA-N 2 1 328.504 2.598 20 30 EFEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197545200 1294600902 /nfs/dbraw/zinc/60/09/02/1294600902.db2.gz HWCXVNPHBFUVAC-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCCO2)cc1C#N ZINC001276443388 1313087814 /nfs/dbraw/zinc/08/78/14/1313087814.db2.gz KLGCHYHIBTWWOE-AQDPXUSMSA-N 2 1 342.487 2.551 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988121 1294615738 /nfs/dbraw/zinc/61/57/38/1294615738.db2.gz WGBDBDKTSVGWPC-MRXNPFEDSA-N 2 1 334.895 2.760 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988120 1294615989 /nfs/dbraw/zinc/61/59/89/1294615989.db2.gz WGBDBDKTSVGWPC-INIZCTEOSA-N 2 1 334.895 2.760 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197802937 1294723456 /nfs/dbraw/zinc/72/34/56/1294723456.db2.gz XXCCPJKRXHPARC-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197802937 1294723462 /nfs/dbraw/zinc/72/34/62/1294723462.db2.gz XXCCPJKRXHPARC-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197802937 1294723470 /nfs/dbraw/zinc/72/34/70/1294723470.db2.gz XXCCPJKRXHPARC-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197802937 1294723477 /nfs/dbraw/zinc/72/34/77/1294723477.db2.gz XXCCPJKRXHPARC-IBGZPJMESA-N 2 1 329.488 2.790 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000886209127 1294763928 /nfs/dbraw/zinc/76/39/28/1294763928.db2.gz FLRBDDIALBYUMD-GIVPXCGWSA-N 2 1 325.500 2.727 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000886209127 1294763939 /nfs/dbraw/zinc/76/39/39/1294763939.db2.gz FLRBDDIALBYUMD-GIVPXCGWSA-N 2 1 325.500 2.727 20 30 EFEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313512 1294834508 /nfs/dbraw/zinc/83/45/08/1294834508.db2.gz SALMEOZXTXUADM-LJQANCHMSA-N 2 1 329.488 2.836 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345901 1313109429 /nfs/dbraw/zinc/10/94/29/1313109429.db2.gz NRXZZJPHKRLPEE-RTBURBONSA-N 2 1 335.536 2.831 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198774829 1295245425 /nfs/dbraw/zinc/24/54/25/1295245425.db2.gz BFEYYNGGADBCEU-ROUUACIJSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198776765 1295247429 /nfs/dbraw/zinc/24/74/29/1295247429.db2.gz UFWUFGUJFKOEPF-QZTJIDSGSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198902862 1295304658 /nfs/dbraw/zinc/30/46/58/1295304658.db2.gz QWCKFDSFBWVYON-WMZOPIPTSA-N 2 1 345.487 2.503 20 30 EFEDMP C=CCCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757893 1295381056 /nfs/dbraw/zinc/38/10/56/1295381056.db2.gz SUCWEOMSHSYXAS-UHFFFAOYSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001204514325 1313154463 /nfs/dbraw/zinc/15/44/63/1313154463.db2.gz UTFZJGJJRQYOQN-UHFFFAOYSA-N 2 1 331.479 2.926 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049669867 1313161566 /nfs/dbraw/zinc/16/15/66/1313161566.db2.gz BHBZRWMVHPLTAP-VJANTYMQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669867 1313161567 /nfs/dbraw/zinc/16/15/67/1313161567.db2.gz BHBZRWMVHPLTAP-VJANTYMQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049669867 1313161570 /nfs/dbraw/zinc/16/15/70/1313161570.db2.gz BHBZRWMVHPLTAP-VJANTYMQSA-N 2 1 333.520 2.748 20 30 EFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000305037209 1295838220 /nfs/dbraw/zinc/83/82/20/1295838220.db2.gz BPSRGGRJOHDMMB-IBGZPJMESA-N 2 1 328.504 2.742 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](CC3(C)CC[NH2+]CC3)C2)CC1 ZINC001204843003 1313201995 /nfs/dbraw/zinc/20/19/95/1313201995.db2.gz HQYMEEOWOQPHCY-UHFFFAOYSA-N 2 1 349.519 2.877 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717933 1313219631 /nfs/dbraw/zinc/21/96/31/1313219631.db2.gz HQKJUKSDZGIJBY-PMACEKPBSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718806 1313220416 /nfs/dbraw/zinc/22/04/16/1313220416.db2.gz NYMVRTYSELUEJB-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718806 1313220418 /nfs/dbraw/zinc/22/04/18/1313220418.db2.gz NYMVRTYSELUEJB-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049718806 1313220422 /nfs/dbraw/zinc/22/04/22/1313220422.db2.gz NYMVRTYSELUEJB-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447040 1296282857 /nfs/dbraw/zinc/28/28/57/1296282857.db2.gz GJUZOMIEAKPMQF-OAQYLSRUSA-N 2 1 348.450 2.561 20 30 EFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447040 1296282866 /nfs/dbraw/zinc/28/28/66/1296282866.db2.gz GJUZOMIEAKPMQF-OAQYLSRUSA-N 2 1 348.450 2.561 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283414 1313264473 /nfs/dbraw/zinc/26/44/73/1313264473.db2.gz BKHIBTJWEWNOPY-RTBURBONSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049766758 1313277106 /nfs/dbraw/zinc/27/71/06/1313277106.db2.gz MXSGZQZNRLHZFS-CEXWTWQISA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767673 1313278003 /nfs/dbraw/zinc/27/80/03/1313278003.db2.gz QDRPDFVUXSNQEB-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767673 1313278005 /nfs/dbraw/zinc/27/80/05/1313278005.db2.gz QDRPDFVUXSNQEB-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767673 1313278008 /nfs/dbraw/zinc/27/80/08/1313278008.db2.gz QDRPDFVUXSNQEB-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768218 1313278656 /nfs/dbraw/zinc/27/86/56/1313278656.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768218 1313278658 /nfs/dbraw/zinc/27/86/58/1313278658.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768218 1313278667 /nfs/dbraw/zinc/27/86/67/1313278667.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235279149 1313281420 /nfs/dbraw/zinc/28/14/20/1313281420.db2.gz YRDBBGXAGKQXET-CVEARBPZSA-N 2 1 348.409 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235279149 1313281422 /nfs/dbraw/zinc/28/14/22/1313281422.db2.gz YRDBBGXAGKQXET-CVEARBPZSA-N 2 1 348.409 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235339013 1313296267 /nfs/dbraw/zinc/29/62/67/1313296267.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339013 1313296271 /nfs/dbraw/zinc/29/62/71/1313296271.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235339013 1313296275 /nfs/dbraw/zinc/29/62/75/1313296275.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C\CCC)CC1 ZINC001205479733 1313296890 /nfs/dbraw/zinc/29/68/90/1313296890.db2.gz VNGVQRLIQJKTPK-HCZHMGAMSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C\CCC)CC1 ZINC001205479733 1313296893 /nfs/dbraw/zinc/29/68/93/1313296893.db2.gz VNGVQRLIQJKTPK-HCZHMGAMSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518786 1313303569 /nfs/dbraw/zinc/30/35/69/1313303569.db2.gz KQLOIKQVDRHFRY-RBUKOAKNSA-N 2 1 333.520 2.798 20 30 EFEDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428173 1313319457 /nfs/dbraw/zinc/31/94/57/1313319457.db2.gz PGQRFWPMKSPSOI-HOTGVXAUSA-N 2 1 344.478 2.975 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594234 1313319861 /nfs/dbraw/zinc/31/98/61/1313319861.db2.gz MQAFVBPJQKFPRY-QGZVFWFLSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807468 1313323674 /nfs/dbraw/zinc/32/36/74/1313323674.db2.gz SSMKBUOCFSNKHE-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205629885 1313325458 /nfs/dbraw/zinc/32/54/58/1313325458.db2.gz HXIUPQIQNXBGOM-FUHWJXTLSA-N 2 1 347.478 2.626 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674172 1313334969 /nfs/dbraw/zinc/33/49/69/1313334969.db2.gz CDHLVJAQQWTGGA-PKOBYXMFSA-N 2 1 347.478 2.628 20 30 EFEDMP N#CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277951464 1313344124 /nfs/dbraw/zinc/34/41/24/1313344124.db2.gz KAMKHDNAANKGAD-IBGZPJMESA-N 2 1 329.492 2.755 20 30 EFEDMP CCCCCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201762412 1297060198 /nfs/dbraw/zinc/06/01/98/1297060198.db2.gz KGDXTYAUJNUDLX-UHFFFAOYSA-N 2 1 333.520 2.781 20 30 EFEDMP N#CCc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001235514041 1313341193 /nfs/dbraw/zinc/34/11/93/1313341193.db2.gz NEGVWAHAXKXAMP-UHFFFAOYSA-N 2 1 349.482 2.603 20 30 EFEDMP C=CC[NH2+]CCN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001235672343 1313371414 /nfs/dbraw/zinc/37/14/14/1313371414.db2.gz BJASVRTWJZWYAI-UHFFFAOYSA-N 2 1 330.863 2.786 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960676468 1297409790 /nfs/dbraw/zinc/40/97/90/1297409790.db2.gz NKFQXCVAPOOXCV-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960676468 1297409796 /nfs/dbraw/zinc/40/97/96/1297409796.db2.gz NKFQXCVAPOOXCV-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960676468 1297409803 /nfs/dbraw/zinc/40/98/03/1297409803.db2.gz NKFQXCVAPOOXCV-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960676468 1297409814 /nfs/dbraw/zinc/40/98/14/1297409814.db2.gz NKFQXCVAPOOXCV-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005928 1313390165 /nfs/dbraw/zinc/39/01/65/1313390165.db2.gz FIPLMRAKVPCNBI-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006971 1313390757 /nfs/dbraw/zinc/39/07/57/1313390757.db2.gz UQIDBEOVBPZXDD-QGZVFWFLSA-N 2 1 341.927 2.689 20 30 EFEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022894 1313392936 /nfs/dbraw/zinc/39/29/36/1313392936.db2.gz LGWRSIOWBKSSRK-HXUWFJFHSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206022890 1313393104 /nfs/dbraw/zinc/39/31/04/1313393104.db2.gz LGWRSIOWBKSSRK-FQEVSTJZSA-N 2 1 345.531 2.635 20 30 EFEDMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CO1 ZINC001235789211 1313396432 /nfs/dbraw/zinc/39/64/32/1313396432.db2.gz NBNXCHDZGHJDSU-IBGZPJMESA-N 2 1 327.472 2.927 20 30 EFEDMP C=C(C)COc1ccccc1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235814937 1313403762 /nfs/dbraw/zinc/40/37/62/1313403762.db2.gz HESPHTNYQJPXKN-UHFFFAOYSA-N 2 1 343.515 2.901 20 30 EFEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555821 1313412618 /nfs/dbraw/zinc/41/26/18/1313412618.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555821 1313412621 /nfs/dbraw/zinc/41/26/21/1313412621.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555821 1313412623 /nfs/dbraw/zinc/41/26/23/1313412623.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555821 1313412625 /nfs/dbraw/zinc/41/26/25/1313412625.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555821 1313412627 /nfs/dbraw/zinc/41/26/27/1313412627.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565129 1313415994 /nfs/dbraw/zinc/41/59/94/1313415994.db2.gz CNUQASXOKUSAEV-ZACQAIPSSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565129 1313415997 /nfs/dbraw/zinc/41/59/97/1313415997.db2.gz CNUQASXOKUSAEV-ZACQAIPSSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618671 1313441671 /nfs/dbraw/zinc/44/16/71/1313441671.db2.gz UIBLMVAHWPIZEI-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618671 1313441673 /nfs/dbraw/zinc/44/16/73/1313441673.db2.gz UIBLMVAHWPIZEI-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618671 1313441674 /nfs/dbraw/zinc/44/16/74/1313441674.db2.gz UIBLMVAHWPIZEI-CEXWTWQISA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775818 1298061955 /nfs/dbraw/zinc/06/19/55/1298061955.db2.gz RSLULVGKJARWQI-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775818 1298061967 /nfs/dbraw/zinc/06/19/67/1298061967.db2.gz RSLULVGKJARWQI-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775818 1298061978 /nfs/dbraw/zinc/06/19/78/1298061978.db2.gz RSLULVGKJARWQI-HOTGVXAUSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268038 1314466863 /nfs/dbraw/zinc/46/68/63/1314466863.db2.gz GFHGTCHDYBUALA-RBUKOAKNSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547025 1313473418 /nfs/dbraw/zinc/47/34/18/1313473418.db2.gz BSXVWGBEDIQJIH-OALUTQOASA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913486 1313475337 /nfs/dbraw/zinc/47/53/37/1313475337.db2.gz YKFWJEBVOROSSN-RBUKOAKNSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689063 1313475634 /nfs/dbraw/zinc/47/56/34/1313475634.db2.gz MLWPJOYPPXOKBA-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689063 1313475637 /nfs/dbraw/zinc/47/56/37/1313475637.db2.gz MLWPJOYPPXOKBA-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689063 1313475640 /nfs/dbraw/zinc/47/56/40/1313475640.db2.gz MLWPJOYPPXOKBA-HDICACEKSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913484 1313475666 /nfs/dbraw/zinc/47/56/66/1313475666.db2.gz YKFWJEBVOROSSN-MOPGFXCFSA-N 2 1 327.472 2.613 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915427 1313479237 /nfs/dbraw/zinc/47/92/37/1313479237.db2.gz VUGHOWHALHQCHF-OTWHNJEPSA-N 2 1 327.472 2.541 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915427 1313479240 /nfs/dbraw/zinc/47/92/40/1313479240.db2.gz VUGHOWHALHQCHF-OTWHNJEPSA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049917901 1313483193 /nfs/dbraw/zinc/48/31/93/1313483193.db2.gz JDHLQOZYGFPDRS-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049917901 1313483196 /nfs/dbraw/zinc/48/31/96/1313483196.db2.gz JDHLQOZYGFPDRS-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049917901 1313483199 /nfs/dbraw/zinc/48/31/99/1313483199.db2.gz JDHLQOZYGFPDRS-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180412 1298257379 /nfs/dbraw/zinc/25/73/79/1298257379.db2.gz GVZUDQUVGBTLKN-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049917903 1313483465 /nfs/dbraw/zinc/48/34/65/1313483465.db2.gz JDHLQOZYGFPDRS-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049917903 1313483467 /nfs/dbraw/zinc/48/34/67/1313483467.db2.gz JDHLQOZYGFPDRS-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049917903 1313483469 /nfs/dbraw/zinc/48/34/69/1313483469.db2.gz JDHLQOZYGFPDRS-OTWHNJEPSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961184739 1298268552 /nfs/dbraw/zinc/26/85/52/1298268552.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184739 1298268565 /nfs/dbraw/zinc/26/85/65/1298268565.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961184739 1298268575 /nfs/dbraw/zinc/26/85/75/1298268575.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000961193896 1298288809 /nfs/dbraw/zinc/28/88/09/1298288809.db2.gz GCROVHRBIIBXBB-ROUUACIJSA-N 2 1 344.503 2.673 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197343 1298295828 /nfs/dbraw/zinc/29/58/28/1298295828.db2.gz NOZRLQINPJLQEW-OALUTQOASA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199067 1298302486 /nfs/dbraw/zinc/30/24/86/1298302486.db2.gz JMHAJQMZZBCSPI-ROUUACIJSA-N 2 1 338.455 2.694 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206000 1298322816 /nfs/dbraw/zinc/32/28/16/1298322816.db2.gz WWCHDIGRQJCZRT-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206004 1298323061 /nfs/dbraw/zinc/32/30/61/1298323061.db2.gz WWCHDIGRQJCZRT-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259608 1298431592 /nfs/dbraw/zinc/43/15/92/1298431592.db2.gz ISFUWHYTDIBVRU-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268228 1298456677 /nfs/dbraw/zinc/45/66/77/1298456677.db2.gz FTJCWXQOQSLULY-RTBURBONSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276832 1298473995 /nfs/dbraw/zinc/47/39/95/1298473995.db2.gz WPOAAIQHSMJXLN-PMACEKPBSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292538 1298509883 /nfs/dbraw/zinc/50/98/83/1298509883.db2.gz JREYCVPJCRQVRN-UXHICEINSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961365353 1298621928 /nfs/dbraw/zinc/62/19/28/1298621928.db2.gz GPYWRVDDNZQYMC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365353 1298621936 /nfs/dbraw/zinc/62/19/36/1298621936.db2.gz GPYWRVDDNZQYMC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961365353 1298621943 /nfs/dbraw/zinc/62/19/43/1298621943.db2.gz GPYWRVDDNZQYMC-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372945 1298635564 /nfs/dbraw/zinc/63/55/64/1298635564.db2.gz FDXZHQUNJQBFFT-UXHICEINSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372296 1298635726 /nfs/dbraw/zinc/63/57/26/1298635726.db2.gz AVKAZQMIWOTQNL-WOJBJXKFSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376764 1298646962 /nfs/dbraw/zinc/64/69/62/1298646962.db2.gz CPHUTOHHBVVGGB-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376764 1298646968 /nfs/dbraw/zinc/64/69/68/1298646968.db2.gz CPHUTOHHBVVGGB-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376764 1298646975 /nfs/dbraw/zinc/64/69/75/1298646975.db2.gz CPHUTOHHBVVGGB-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376805 1298647090 /nfs/dbraw/zinc/64/70/90/1298647090.db2.gz DHGAEYVPDATVNP-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376805 1298647098 /nfs/dbraw/zinc/64/70/98/1298647098.db2.gz DHGAEYVPDATVNP-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376805 1298647107 /nfs/dbraw/zinc/64/71/07/1298647107.db2.gz DHGAEYVPDATVNP-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377992 1298648237 /nfs/dbraw/zinc/64/82/37/1298648237.db2.gz JSUUZIVIBWVNPX-RTBURBONSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961401308 1298692843 /nfs/dbraw/zinc/69/28/43/1298692843.db2.gz DGNCXROFHYYTBI-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961401308 1298692850 /nfs/dbraw/zinc/69/28/50/1298692850.db2.gz DGNCXROFHYYTBI-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961401308 1298692860 /nfs/dbraw/zinc/69/28/60/1298692860.db2.gz DGNCXROFHYYTBI-MJGOQNOKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410265 1298705257 /nfs/dbraw/zinc/70/52/57/1298705257.db2.gz GETUKGRGCDMLRT-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410265 1298705269 /nfs/dbraw/zinc/70/52/69/1298705269.db2.gz GETUKGRGCDMLRT-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410265 1298705284 /nfs/dbraw/zinc/70/52/84/1298705284.db2.gz GETUKGRGCDMLRT-QUCCMNQESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410261 1298706076 /nfs/dbraw/zinc/70/60/76/1298706076.db2.gz GETUKGRGCDMLRT-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410261 1298706084 /nfs/dbraw/zinc/70/60/84/1298706084.db2.gz GETUKGRGCDMLRT-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410261 1298706094 /nfs/dbraw/zinc/70/60/94/1298706094.db2.gz GETUKGRGCDMLRT-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961435354 1298744250 /nfs/dbraw/zinc/74/42/50/1298744250.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435354 1298744256 /nfs/dbraw/zinc/74/42/56/1298744256.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961435354 1298744266 /nfs/dbraw/zinc/74/42/66/1298744266.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961435327 1298744843 /nfs/dbraw/zinc/74/48/43/1298744843.db2.gz LWCXBUFEBSIEEI-FQEVSTJZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961435328 1298744858 /nfs/dbraw/zinc/74/48/58/1298744858.db2.gz LWCXBUFEBSIEEI-HXUWFJFHSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439237 1298748986 /nfs/dbraw/zinc/74/89/86/1298748986.db2.gz GLPASNVTSGNJMW-IBGZPJMESA-N 2 1 333.520 2.609 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)c(F)c2)CC1 ZINC001236939645 1313557104 /nfs/dbraw/zinc/55/71/04/1313557104.db2.gz UAXBORJNHRYXGQ-INIZCTEOSA-N 2 1 330.451 2.703 20 30 EFEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C#N)CC3)c(F)c2)CC1 ZINC001236938162 1313557172 /nfs/dbraw/zinc/55/71/72/1313557172.db2.gz KNKQUFWWYYQXRW-INIZCTEOSA-N 2 1 330.451 2.703 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206929985 1313558061 /nfs/dbraw/zinc/55/80/61/1313558061.db2.gz MMTCULFFCPNFGQ-UHFFFAOYSA-N 2 1 334.508 2.990 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793247 1298868778 /nfs/dbraw/zinc/86/87/78/1298868778.db2.gz MHEGAJJRCSTSTQ-IRXDYDNUSA-N 2 1 344.503 2.504 20 30 EFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953545 1313570100 /nfs/dbraw/zinc/57/01/00/1313570100.db2.gz RDWAEGVNFCETTQ-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001207001402 1313586242 /nfs/dbraw/zinc/58/62/42/1313586242.db2.gz XHSVKCKLUNECLK-FCGDIQPGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207001402 1313586244 /nfs/dbraw/zinc/58/62/44/1313586244.db2.gz XHSVKCKLUNECLK-FCGDIQPGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207001402 1313586247 /nfs/dbraw/zinc/58/62/47/1313586247.db2.gz XHSVKCKLUNECLK-FCGDIQPGSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207007740 1313587857 /nfs/dbraw/zinc/58/78/57/1313587857.db2.gz PIXKLLRTUFSWAC-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207007740 1313587860 /nfs/dbraw/zinc/58/78/60/1313587860.db2.gz PIXKLLRTUFSWAC-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232734 1313642553 /nfs/dbraw/zinc/64/25/53/1313642553.db2.gz YPQWODUCXBKDPS-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232734 1313642556 /nfs/dbraw/zinc/64/25/56/1313642556.db2.gz YPQWODUCXBKDPS-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP COc1cc(C#N)ccc1OC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207283140 1313651749 /nfs/dbraw/zinc/65/17/49/1313651749.db2.gz TUVPGBWDHPZDPX-UHFFFAOYSA-N 2 1 345.487 2.998 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052147 1313660356 /nfs/dbraw/zinc/66/03/56/1313660356.db2.gz MABNWGAIPLNTPH-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052147 1313660359 /nfs/dbraw/zinc/66/03/59/1313660359.db2.gz MABNWGAIPLNTPH-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052147 1313660363 /nfs/dbraw/zinc/66/03/63/1313660363.db2.gz MABNWGAIPLNTPH-AKHDSKFASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661310 1300013109 /nfs/dbraw/zinc/01/31/09/1300013109.db2.gz QAAGZNLSYOWWGY-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661310 1300013121 /nfs/dbraw/zinc/01/31/21/1300013121.db2.gz QAAGZNLSYOWWGY-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661310 1300013125 /nfs/dbraw/zinc/01/31/25/1300013125.db2.gz QAAGZNLSYOWWGY-MANSERQUSA-N 2 1 333.520 2.652 20 30 EFEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237606258 1313675522 /nfs/dbraw/zinc/67/55/22/1313675522.db2.gz POILUAWCEOJDPI-UHFFFAOYSA-N 2 1 346.438 2.648 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207480151 1313696190 /nfs/dbraw/zinc/69/61/90/1313696190.db2.gz UZDRWYCTACYMKD-HXUWFJFHSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482064 1313696802 /nfs/dbraw/zinc/69/68/02/1313696802.db2.gz SGZJTGZIRVIGJF-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307036 1300557581 /nfs/dbraw/zinc/55/75/81/1300557581.db2.gz VWIWNHVFTFSXQZ-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307037 1300557605 /nfs/dbraw/zinc/55/76/05/1300557605.db2.gz VWIWNHVFTFSXQZ-OALUTQOASA-N 2 1 345.531 2.587 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313542 1300574388 /nfs/dbraw/zinc/57/43/88/1300574388.db2.gz GCUIHVRUMCYGAZ-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322624 1300598489 /nfs/dbraw/zinc/59/84/89/1300598489.db2.gz HVPDQEKWVYOOLE-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328324 1300612295 /nfs/dbraw/zinc/61/22/95/1300612295.db2.gz NUSCFFTXTSOLJZ-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329496 1300616972 /nfs/dbraw/zinc/61/69/72/1300616972.db2.gz ZMUARLDFDQSAOS-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337210 1300633437 /nfs/dbraw/zinc/63/34/37/1300633437.db2.gz MAJGQGVGGCZVTO-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337210 1300633441 /nfs/dbraw/zinc/63/34/41/1300633441.db2.gz MAJGQGVGGCZVTO-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384211 1300741058 /nfs/dbraw/zinc/74/10/58/1300741058.db2.gz RRAMCYVQPSZKLS-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000963421393 1300819968 /nfs/dbraw/zinc/81/99/68/1300819968.db2.gz RLGSDHSAAVQEBQ-OFLPRAFFSA-N 2 1 330.476 2.696 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429139 1300835276 /nfs/dbraw/zinc/83/52/76/1300835276.db2.gz OOINNFYIRYFHQA-UXHICEINSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682149 1313748916 /nfs/dbraw/zinc/74/89/16/1313748916.db2.gz BQIXQWIEXMIQJF-FGTMMUONSA-N 2 1 333.520 2.654 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963832978 1301353873 /nfs/dbraw/zinc/35/38/73/1301353873.db2.gz HJKRNWHQOXFLFV-QLOJAFMTSA-N 2 1 345.531 2.776 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963832977 1301354170 /nfs/dbraw/zinc/35/41/70/1301354170.db2.gz HJKRNWHQOXFLFV-AFMYVXGZSA-N 2 1 345.531 2.776 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238104626 1313761230 /nfs/dbraw/zinc/76/12/30/1313761230.db2.gz MTRGHGPXHWEXDB-HXUWFJFHSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238104626 1313761231 /nfs/dbraw/zinc/76/12/31/1313761231.db2.gz MTRGHGPXHWEXDB-HXUWFJFHSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccc3cncn31)C2 ZINC001238105993 1313762004 /nfs/dbraw/zinc/76/20/04/1313762004.db2.gz HZCSUMWVHQEQDP-FQEVSTJZSA-N 2 1 338.455 2.867 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105993 1313762007 /nfs/dbraw/zinc/76/20/07/1313762007.db2.gz HZCSUMWVHQEQDP-FQEVSTJZSA-N 2 1 338.455 2.867 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000964030221 1301624068 /nfs/dbraw/zinc/62/40/68/1301624068.db2.gz HWFSJPZZQKXQCO-NQPFRDSSSA-N 2 1 331.504 2.596 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964167211 1301685225 /nfs/dbraw/zinc/68/52/25/1301685225.db2.gz JWYSTEQACCOIHF-QAELIBMJSA-N 2 1 333.520 2.700 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816825 1302335684 /nfs/dbraw/zinc/33/56/84/1302335684.db2.gz AGAFWMIJGNEHPU-KURKYZTESA-N 2 1 330.476 2.659 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816825 1302335692 /nfs/dbraw/zinc/33/56/92/1302335692.db2.gz AGAFWMIJGNEHPU-KURKYZTESA-N 2 1 330.476 2.659 20 30 EFEDMP CCc1cc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)ccc1C#N ZINC001238766911 1313865594 /nfs/dbraw/zinc/86/55/94/1313865594.db2.gz QMLLQTLZGDQZET-UHFFFAOYSA-N 2 1 328.504 2.580 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163929 1313886635 /nfs/dbraw/zinc/88/66/35/1313886635.db2.gz UPVSROYQZRZGAY-OAGGEKHMSA-N 2 1 333.501 2.721 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163929 1313886638 /nfs/dbraw/zinc/88/66/38/1313886638.db2.gz UPVSROYQZRZGAY-OAGGEKHMSA-N 2 1 333.501 2.721 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965932985 1303466592 /nfs/dbraw/zinc/46/65/92/1303466592.db2.gz HFODBFWKOPSOOW-GFBLOWMDSA-N 2 1 339.911 2.629 20 30 EFEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208466812 1313937319 /nfs/dbraw/zinc/93/73/19/1313937319.db2.gz DAGQMMBIVVUHHC-INIZCTEOSA-N 2 1 348.491 2.677 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208466821 1313937420 /nfs/dbraw/zinc/93/74/20/1313937420.db2.gz DAGQMMBIVVUHHC-MRXNPFEDSA-N 2 1 348.491 2.677 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485973 1304008818 /nfs/dbraw/zinc/00/88/18/1304008818.db2.gz BXTOSRYQXALKGF-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485973 1304008819 /nfs/dbraw/zinc/00/88/19/1304008819.db2.gz BXTOSRYQXALKGF-GDBMZVCRSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097314779 1313964928 /nfs/dbraw/zinc/96/49/28/1313964928.db2.gz FKYDIENPXWUJKO-KURKYZTESA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264994 1304776392 /nfs/dbraw/zinc/77/63/92/1304776392.db2.gz RQLLMORHCFPPNX-YJBOKZPZSA-N 2 1 326.444 2.741 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037927016 1304817610 /nfs/dbraw/zinc/81/76/10/1304817610.db2.gz PIUYXYDMCYVDLW-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934642 1304917679 /nfs/dbraw/zinc/91/76/79/1304917679.db2.gz NPRWUBUVVKNDFL-IRXDYDNUSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403704 1304951791 /nfs/dbraw/zinc/95/17/91/1304951791.db2.gz ZIABOZBLBFMEAL-SJLPKXTDSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403704 1304951794 /nfs/dbraw/zinc/95/17/94/1304951794.db2.gz ZIABOZBLBFMEAL-SJLPKXTDSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967403704 1304951799 /nfs/dbraw/zinc/95/17/99/1304951799.db2.gz ZIABOZBLBFMEAL-SJLPKXTDSA-N 2 1 344.503 2.555 20 30 EFEDMP COC1CC[NH+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC001208929503 1314049062 /nfs/dbraw/zinc/04/90/62/1314049062.db2.gz TYFUOGQCWGQVMR-UHFFFAOYSA-N 2 1 327.472 2.676 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1CC ZINC001037967483 1305438733 /nfs/dbraw/zinc/43/87/33/1305438733.db2.gz PXEWTWIPCYNJBY-KBPBESRZSA-N 2 1 338.883 2.657 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851226 1314068521 /nfs/dbraw/zinc/06/85/21/1314068521.db2.gz OIVRGSINFHNGMR-CVEARBPZSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246046434 1314573479 /nfs/dbraw/zinc/57/34/79/1314573479.db2.gz QBDMVQFFZCZVPO-LJQANCHMSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150912 1314100376 /nfs/dbraw/zinc/10/03/76/1314100376.db2.gz WCRUXGZDTHOKTF-IEBWSBKVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326775 1306136613 /nfs/dbraw/zinc/13/66/13/1306136613.db2.gz IUHWRRVCTUMYQH-PXNSSMCTSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376790 1306214055 /nfs/dbraw/zinc/21/40/55/1306214055.db2.gz BLTSQDMQIJYDCF-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376790 1306214066 /nfs/dbraw/zinc/21/40/66/1306214066.db2.gz BLTSQDMQIJYDCF-SJORKVTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496929 1306400709 /nfs/dbraw/zinc/40/07/09/1306400709.db2.gz FJODTGNLDYDFOU-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681088 1306563410 /nfs/dbraw/zinc/56/34/10/1306563410.db2.gz GQERGRDZTSLJJV-LPHOPBHVSA-N 2 1 329.488 2.765 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887382 1306760302 /nfs/dbraw/zinc/76/03/02/1306760302.db2.gz CBHMJSWLDVDBEP-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887382 1306760307 /nfs/dbraw/zinc/76/03/07/1306760307.db2.gz CBHMJSWLDVDBEP-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887382 1306760314 /nfs/dbraw/zinc/76/03/14/1306760314.db2.gz CBHMJSWLDVDBEP-VQTJNVASSA-N 2 1 345.531 2.778 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888026 1306762338 /nfs/dbraw/zinc/76/23/38/1306762338.db2.gz PRXKSTSWWGNMCK-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888026 1306762331 /nfs/dbraw/zinc/76/23/31/1306762331.db2.gz PRXKSTSWWGNMCK-IRXDYDNUSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044761615 1306781182 /nfs/dbraw/zinc/78/11/82/1306781182.db2.gz XPKOOGHKBRVDQD-GJZGRUSLSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936758 1306816006 /nfs/dbraw/zinc/81/60/06/1306816006.db2.gz PNFXLWFEEFXSCO-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969001997 1306876626 /nfs/dbraw/zinc/87/66/26/1306876626.db2.gz IEMJJOWHGIROJT-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969001997 1306876630 /nfs/dbraw/zinc/87/66/30/1306876630.db2.gz IEMJJOWHGIROJT-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969001997 1306876633 /nfs/dbraw/zinc/87/66/33/1306876633.db2.gz IEMJJOWHGIROJT-UXHICEINSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001702 1306877188 /nfs/dbraw/zinc/87/71/88/1306877188.db2.gz FOAHHWHVQRISLI-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001702 1306877193 /nfs/dbraw/zinc/87/71/93/1306877193.db2.gz FOAHHWHVQRISLI-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058813 1306931769 /nfs/dbraw/zinc/93/17/69/1306931769.db2.gz AHIXHADOOGRINL-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969058813 1306931772 /nfs/dbraw/zinc/93/17/72/1306931772.db2.gz AHIXHADOOGRINL-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969058813 1306931779 /nfs/dbraw/zinc/93/17/79/1306931779.db2.gz AHIXHADOOGRINL-OALUTQOASA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072544 1306946274 /nfs/dbraw/zinc/94/62/74/1306946274.db2.gz KWVXHQZLKAIROB-FQEVSTJZSA-N 2 1 341.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585204 1307448224 /nfs/dbraw/zinc/44/82/24/1307448224.db2.gz OXCMHVKBSSRNPV-ROUUACIJSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705473 1314203384 /nfs/dbraw/zinc/20/33/84/1314203384.db2.gz NRCLJXGCIVSOCF-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705473 1314203385 /nfs/dbraw/zinc/20/33/85/1314203385.db2.gz NRCLJXGCIVSOCF-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705473 1314203388 /nfs/dbraw/zinc/20/33/88/1314203388.db2.gz NRCLJXGCIVSOCF-YSTOQKLRSA-N 2 1 343.515 2.528 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640406 1314205943 /nfs/dbraw/zinc/20/59/43/1314205943.db2.gz BXXFSUACQFIEPF-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209644147 1314208418 /nfs/dbraw/zinc/20/84/18/1314208418.db2.gz ZBJMVGJKRKRWPA-VQIMIIECSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921193 1307897585 /nfs/dbraw/zinc/89/75/85/1307897585.db2.gz HJXHFDTVYKYVPL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921193 1307897589 /nfs/dbraw/zinc/89/75/89/1307897589.db2.gz HJXHFDTVYKYVPL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921193 1307897593 /nfs/dbraw/zinc/89/75/93/1307897593.db2.gz HJXHFDTVYKYVPL-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938277 1307940571 /nfs/dbraw/zinc/94/05/71/1307940571.db2.gz WKENKYWGPDVBHW-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938277 1307940576 /nfs/dbraw/zinc/94/05/76/1307940576.db2.gz WKENKYWGPDVBHW-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938277 1307940581 /nfs/dbraw/zinc/94/05/81/1307940581.db2.gz WKENKYWGPDVBHW-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045942468 1307953826 /nfs/dbraw/zinc/95/38/26/1307953826.db2.gz YBKAMRIFOSZTKM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942468 1307953829 /nfs/dbraw/zinc/95/38/29/1307953829.db2.gz YBKAMRIFOSZTKM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045942468 1307953833 /nfs/dbraw/zinc/95/38/33/1307953833.db2.gz YBKAMRIFOSZTKM-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045942909 1307955210 /nfs/dbraw/zinc/95/52/10/1307955210.db2.gz CVMQYSVYTPMLMX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942909 1307955212 /nfs/dbraw/zinc/95/52/12/1307955212.db2.gz CVMQYSVYTPMLMX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045942909 1307955216 /nfs/dbraw/zinc/95/52/16/1307955216.db2.gz CVMQYSVYTPMLMX-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943347 1307956902 /nfs/dbraw/zinc/95/69/02/1307956902.db2.gz IKGKPEPLNIYXCW-IBGZPJMESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943738 1307959079 /nfs/dbraw/zinc/95/90/79/1307959079.db2.gz NSZWSOQDIPHSRA-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945555 1307965367 /nfs/dbraw/zinc/96/53/67/1307965367.db2.gz VUBKVFRAZURXSZ-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945555 1307965370 /nfs/dbraw/zinc/96/53/70/1307965370.db2.gz VUBKVFRAZURXSZ-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945555 1307965372 /nfs/dbraw/zinc/96/53/72/1307965372.db2.gz VUBKVFRAZURXSZ-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953333 1307987514 /nfs/dbraw/zinc/98/75/14/1307987514.db2.gz YENGFOLUWHUPGM-TZIWHRDSSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977284 1308055480 /nfs/dbraw/zinc/05/54/80/1308055480.db2.gz ABGKPKPZWLATTO-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045981796 1308071739 /nfs/dbraw/zinc/07/17/39/1308071739.db2.gz GIMQAKFKGGSTRW-HXUWFJFHSA-N 2 1 344.503 2.931 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982120 1308074401 /nfs/dbraw/zinc/07/44/01/1308074401.db2.gz OFLUXYVCKLQZCY-LJQANCHMSA-N 2 1 330.476 2.541 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983478 1308077763 /nfs/dbraw/zinc/07/77/63/1308077763.db2.gz OJGVAYVAZSHVPX-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985351 1308083338 /nfs/dbraw/zinc/08/33/38/1308083338.db2.gz RYPMXCZTSWBDMV-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985351 1308083340 /nfs/dbraw/zinc/08/33/40/1308083340.db2.gz RYPMXCZTSWBDMV-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985351 1308083343 /nfs/dbraw/zinc/08/33/43/1308083343.db2.gz RYPMXCZTSWBDMV-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540750 1308143566 /nfs/dbraw/zinc/14/35/66/1308143566.db2.gz OXGCNJRHWVFTPU-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008882918 1308311893 /nfs/dbraw/zinc/31/18/93/1308311893.db2.gz POXICXXJXURXBB-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319395 1308537208 /nfs/dbraw/zinc/53/72/08/1308537208.db2.gz RHCDLIBAPLGFFI-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319395 1308537211 /nfs/dbraw/zinc/53/72/11/1308537211.db2.gz RHCDLIBAPLGFFI-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319395 1308537214 /nfs/dbraw/zinc/53/72/14/1308537214.db2.gz RHCDLIBAPLGFFI-PXNSSMCTSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626327 1308953284 /nfs/dbraw/zinc/95/32/84/1308953284.db2.gz RQUCBLNOZOUAOS-OAQYLSRUSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243677 1314301144 /nfs/dbraw/zinc/30/11/44/1314301144.db2.gz ODDBTRFDZIWERV-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243677 1314301147 /nfs/dbraw/zinc/30/11/47/1314301147.db2.gz ODDBTRFDZIWERV-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243677 1314301151 /nfs/dbraw/zinc/30/11/51/1314301151.db2.gz ODDBTRFDZIWERV-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243677 1314301155 /nfs/dbraw/zinc/30/11/55/1314301155.db2.gz ODDBTRFDZIWERV-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046944151 1309732818 /nfs/dbraw/zinc/73/28/18/1309732818.db2.gz GHIRWGBOIDUHLN-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046944151 1309732827 /nfs/dbraw/zinc/73/28/27/1309732827.db2.gz GHIRWGBOIDUHLN-HZPDHXFCSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046996813 1309886762 /nfs/dbraw/zinc/88/67/62/1309886762.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046996813 1309886765 /nfs/dbraw/zinc/88/67/65/1309886765.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046996813 1309886766 /nfs/dbraw/zinc/88/67/66/1309886766.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 2 1 343.462 2.510 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763685 1314357867 /nfs/dbraw/zinc/35/78/67/1314357867.db2.gz IXAAPHUBHRUURV-SJORKVTESA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231014 1310365387 /nfs/dbraw/zinc/36/53/87/1310365387.db2.gz JJSRKMDHTPQTQQ-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231017 1310366222 /nfs/dbraw/zinc/36/62/22/1310366222.db2.gz JJSRKMDHTPQTQQ-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047241415 1310392337 /nfs/dbraw/zinc/39/23/37/1310392337.db2.gz CCTNWMOCJZXRFT-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243604 1310397385 /nfs/dbraw/zinc/39/73/85/1310397385.db2.gz LTEGUZWEPBIOOC-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047243995 1310399540 /nfs/dbraw/zinc/39/95/40/1310399540.db2.gz OPBXHLJDGVXANV-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256063 1310429337 /nfs/dbraw/zinc/42/93/37/1310429337.db2.gz GATDAUIUIPCVES-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256810 1310431880 /nfs/dbraw/zinc/43/18/80/1310431880.db2.gz OCSGCAXJMLLAOZ-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258273 1310435754 /nfs/dbraw/zinc/43/57/54/1310435754.db2.gz YXUMZCRMOHIEBG-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266214 1310460841 /nfs/dbraw/zinc/46/08/41/1310460841.db2.gz TUCWCMIHYDVHSR-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813659 1311036239 /nfs/dbraw/zinc/03/62/39/1311036239.db2.gz UDMKNXRIDVTEPA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813659 1311036242 /nfs/dbraw/zinc/03/62/42/1311036242.db2.gz UDMKNXRIDVTEPA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813659 1311036246 /nfs/dbraw/zinc/03/62/46/1311036246.db2.gz UDMKNXRIDVTEPA-GUDVDZBRSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910451 1311052645 /nfs/dbraw/zinc/05/26/45/1311052645.db2.gz BOBDKGQAPOPGBL-MISYRCLQSA-N 2 1 347.547 2.994 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221969076 1311062208 /nfs/dbraw/zinc/06/22/08/1311062208.db2.gz PHRPGCMTTISWAX-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221969076 1311062210 /nfs/dbraw/zinc/06/22/10/1311062210.db2.gz PHRPGCMTTISWAX-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221969076 1311062211 /nfs/dbraw/zinc/06/22/11/1311062211.db2.gz PHRPGCMTTISWAX-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258840 1311080038 /nfs/dbraw/zinc/08/00/38/1311080038.db2.gz UJMKIPHJDBAPPK-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258840 1311080040 /nfs/dbraw/zinc/08/00/40/1311080040.db2.gz UJMKIPHJDBAPPK-KRWDZBQOSA-N 2 1 344.503 2.637 20 30 EFEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259244 1311080577 /nfs/dbraw/zinc/08/05/77/1311080577.db2.gz YOGXFHSAIZVNQF-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259244 1311080579 /nfs/dbraw/zinc/08/05/79/1311080579.db2.gz YOGXFHSAIZVNQF-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547253 1311100878 /nfs/dbraw/zinc/10/08/78/1311100878.db2.gz BRHJOHSPLZXARO-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548203 1311101454 /nfs/dbraw/zinc/10/14/54/1311101454.db2.gz RLSCFPOKXMKQQN-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548203 1311101459 /nfs/dbraw/zinc/10/14/59/1311101459.db2.gz RLSCFPOKXMKQQN-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548203 1311101463 /nfs/dbraw/zinc/10/14/63/1311101463.db2.gz RLSCFPOKXMKQQN-NMLBUPMWSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521350 1311146151 /nfs/dbraw/zinc/14/61/51/1311146151.db2.gz REPNOZXSMYAKJW-HXUWFJFHSA-N 2 1 333.520 2.705 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968759 1311203869 /nfs/dbraw/zinc/20/38/69/1311203869.db2.gz SXJDCNXWELHXBO-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223057930 1311213111 /nfs/dbraw/zinc/21/31/11/1311213111.db2.gz FQQOWTQTOLQTBY-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101066744 1311213333 /nfs/dbraw/zinc/21/33/33/1311213333.db2.gz GGAXFBFOQBKZLA-KKXNLOMOSA-N 2 1 343.515 2.958 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101066744 1311213336 /nfs/dbraw/zinc/21/33/36/1311213336.db2.gz GGAXFBFOQBKZLA-KKXNLOMOSA-N 2 1 343.515 2.958 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115523 1311220150 /nfs/dbraw/zinc/22/01/50/1311220150.db2.gz DGPDXUDTRJESBJ-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115523 1311220152 /nfs/dbraw/zinc/22/01/52/1311220152.db2.gz DGPDXUDTRJESBJ-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312749 1311232204 /nfs/dbraw/zinc/23/22/04/1311232204.db2.gz JGPKCZGIZBNVEM-XLIONFOSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312749 1311232207 /nfs/dbraw/zinc/23/22/07/1311232207.db2.gz JGPKCZGIZBNVEM-XLIONFOSSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312749 1311232209 /nfs/dbraw/zinc/23/22/09/1311232209.db2.gz JGPKCZGIZBNVEM-XLIONFOSSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101549071 1311248665 /nfs/dbraw/zinc/24/86/65/1311248665.db2.gz ZKDBKTPJUQPTKP-IBGZPJMESA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001223467027 1311264437 /nfs/dbraw/zinc/26/44/37/1311264437.db2.gz VGHLYPJYAOLBPD-QGZVFWFLSA-N 2 1 330.476 2.555 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001223467026 1311264627 /nfs/dbraw/zinc/26/46/27/1311264627.db2.gz VGHLYPJYAOLBPD-KRWDZBQOSA-N 2 1 330.476 2.555 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223512251 1311270850 /nfs/dbraw/zinc/27/08/50/1311270850.db2.gz CWUMXVLIHVDYGR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223512251 1311270854 /nfs/dbraw/zinc/27/08/54/1311270854.db2.gz CWUMXVLIHVDYGR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223512251 1311270857 /nfs/dbraw/zinc/27/08/57/1311270857.db2.gz CWUMXVLIHVDYGR-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001223578516 1311277464 /nfs/dbraw/zinc/27/74/64/1311277464.db2.gz YQBSPLLIKOVRTN-MOPGFXCFSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001223693830 1311293024 /nfs/dbraw/zinc/29/30/24/1311293024.db2.gz HNXAIKLDMYPCIY-LJQANCHMSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190179 1311293289 /nfs/dbraw/zinc/29/32/89/1311293289.db2.gz VHYNEHCBDQQUJN-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190179 1311293292 /nfs/dbraw/zinc/29/32/92/1311293292.db2.gz VHYNEHCBDQQUJN-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190179 1311293295 /nfs/dbraw/zinc/29/32/95/1311293295.db2.gz VHYNEHCBDQQUJN-QZTJIDSGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430483 1311309320 /nfs/dbraw/zinc/30/93/20/1311309320.db2.gz RZKDIZUCIGIFBO-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223846537 1311311378 /nfs/dbraw/zinc/31/13/78/1311311378.db2.gz NWVBFXHMZJJZPY-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846537 1311311382 /nfs/dbraw/zinc/31/13/82/1311311382.db2.gz NWVBFXHMZJJZPY-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846537 1311311386 /nfs/dbraw/zinc/31/13/86/1311311386.db2.gz NWVBFXHMZJJZPY-MOPGFXCFSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223901302 1311319068 /nfs/dbraw/zinc/31/90/68/1311319068.db2.gz VRQIQMAOJUZYEP-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223901302 1311319071 /nfs/dbraw/zinc/31/90/71/1311319071.db2.gz VRQIQMAOJUZYEP-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901302 1311319074 /nfs/dbraw/zinc/31/90/74/1311319074.db2.gz VRQIQMAOJUZYEP-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901302 1311319077 /nfs/dbraw/zinc/31/90/77/1311319077.db2.gz VRQIQMAOJUZYEP-YZGWKJHDSA-N 2 1 341.499 2.788 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC/C=C/CC)C[C@H]1C ZINC001103099347 1311344301 /nfs/dbraw/zinc/34/43/01/1311344301.db2.gz LVSXNPQWLZQNHQ-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001103099347 1311344304 /nfs/dbraw/zinc/34/43/04/1311344304.db2.gz LVSXNPQWLZQNHQ-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001103099347 1311344310 /nfs/dbraw/zinc/34/43/10/1311344310.db2.gz LVSXNPQWLZQNHQ-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001103099347 1311344313 /nfs/dbraw/zinc/34/43/13/1311344313.db2.gz LVSXNPQWLZQNHQ-JCHUFIKGSA-N 2 1 345.531 2.515 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495410 1311360450 /nfs/dbraw/zinc/36/04/50/1311360450.db2.gz BDBQDBZVDNGFNE-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224216069 1311361992 /nfs/dbraw/zinc/36/19/92/1311361992.db2.gz YNLXPGZZMTUYOS-LJQANCHMSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224232767 1311364107 /nfs/dbraw/zinc/36/41/07/1311364107.db2.gz FYRIYOCMJCXAFE-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224232767 1311364109 /nfs/dbraw/zinc/36/41/09/1311364109.db2.gz FYRIYOCMJCXAFE-QYZOEREBSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980356 1311405978 /nfs/dbraw/zinc/40/59/78/1311405978.db2.gz WKGWPAVZVKWJCH-CTNGQTDRSA-N 2 1 347.547 2.692 20 30 EFEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980359 1311406080 /nfs/dbraw/zinc/40/60/80/1311406080.db2.gz WKGWPAVZVKWJCH-TZIWHRDSSA-N 2 1 347.547 2.692 20 30 EFEDMP C=C(C)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224745578 1311430166 /nfs/dbraw/zinc/43/01/66/1311430166.db2.gz CDXPUVVMTMOBSH-UHFFFAOYSA-N 2 1 332.492 2.801 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434310 1311514076 /nfs/dbraw/zinc/51/40/76/1311514076.db2.gz LSSUHQHZSMTZBH-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434310 1311514080 /nfs/dbraw/zinc/51/40/80/1311514080.db2.gz LSSUHQHZSMTZBH-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434310 1311514081 /nfs/dbraw/zinc/51/40/81/1311514081.db2.gz LSSUHQHZSMTZBH-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578120 1311546665 /nfs/dbraw/zinc/54/66/65/1311546665.db2.gz PTEAKUDFEWKBEE-KRWDZBQOSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131472 1311650301 /nfs/dbraw/zinc/65/03/01/1311650301.db2.gz MZQNWQTVGNLFCY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131472 1311650303 /nfs/dbraw/zinc/65/03/03/1311650303.db2.gz MZQNWQTVGNLFCY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131472 1311650306 /nfs/dbraw/zinc/65/03/06/1311650306.db2.gz MZQNWQTVGNLFCY-RTBURBONSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131322 1311650438 /nfs/dbraw/zinc/65/04/38/1311650438.db2.gz LKRGGRWZUFFKKY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131322 1311650442 /nfs/dbraw/zinc/65/04/42/1311650442.db2.gz LKRGGRWZUFFKKY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131322 1311650445 /nfs/dbraw/zinc/65/04/45/1311650445.db2.gz LKRGGRWZUFFKKY-RBUKOAKNSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653694 /nfs/dbraw/zinc/65/36/94/1311653694.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653696 /nfs/dbraw/zinc/65/36/96/1311653696.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653697 /nfs/dbraw/zinc/65/36/97/1311653697.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155452 1311656234 /nfs/dbraw/zinc/65/62/34/1311656234.db2.gz GIFBQJHQFJJWHR-PXNSSMCTSA-N 2 1 345.531 2.821 20 30 EFEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285125 1311679884 /nfs/dbraw/zinc/67/98/84/1311679884.db2.gz BIQIPFOWUFRRHD-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285125 1311679889 /nfs/dbraw/zinc/67/98/89/1311679889.db2.gz BIQIPFOWUFRRHD-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285125 1311679893 /nfs/dbraw/zinc/67/98/93/1311679893.db2.gz BIQIPFOWUFRRHD-IBGZPJMESA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285509 1311679958 /nfs/dbraw/zinc/67/99/58/1311679958.db2.gz FWDZKTXYTZICMC-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285509 1311679961 /nfs/dbraw/zinc/67/99/61/1311679961.db2.gz FWDZKTXYTZICMC-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285509 1311679964 /nfs/dbraw/zinc/67/99/64/1311679964.db2.gz FWDZKTXYTZICMC-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285509 1311679969 /nfs/dbraw/zinc/67/99/69/1311679969.db2.gz FWDZKTXYTZICMC-KRWDZBQOSA-N 2 1 339.911 2.752 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160291684 1311681448 /nfs/dbraw/zinc/68/14/48/1311681448.db2.gz JABNLFHKTVZSQS-UHFFFAOYSA-N 2 1 333.501 2.748 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293414 1311682204 /nfs/dbraw/zinc/68/22/04/1311682204.db2.gz WUYAODDTNOWMIZ-UHFFFAOYSA-N 2 1 345.512 2.585 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359922 1311696519 /nfs/dbraw/zinc/69/65/19/1311696519.db2.gz GJQQJIQCVTXTCH-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359922 1311696522 /nfs/dbraw/zinc/69/65/22/1311696522.db2.gz GJQQJIQCVTXTCH-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359922 1311696524 /nfs/dbraw/zinc/69/65/24/1311696524.db2.gz GJQQJIQCVTXTCH-FQEVSTJZSA-N 2 1 343.515 2.555 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467248 1311716986 /nfs/dbraw/zinc/71/69/86/1311716986.db2.gz PUBVTIPQGVFYIO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467248 1311716988 /nfs/dbraw/zinc/71/69/88/1311716988.db2.gz PUBVTIPQGVFYIO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467248 1311716990 /nfs/dbraw/zinc/71/69/90/1311716990.db2.gz PUBVTIPQGVFYIO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226775631 1311721145 /nfs/dbraw/zinc/72/11/45/1311721145.db2.gz VAUKZDZNBWDHQC-QRVBRYPASA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226774462 1311721274 /nfs/dbraw/zinc/72/12/74/1311721274.db2.gz MVXAGIQMTXTPQP-BRWVUGGUSA-N 2 1 330.476 2.744 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499771 1311722717 /nfs/dbraw/zinc/72/27/17/1311722717.db2.gz ICMVVAQXJXVLCD-HKUYNNGSSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499771 1311722720 /nfs/dbraw/zinc/72/27/20/1311722720.db2.gz ICMVVAQXJXVLCD-HKUYNNGSSA-N 2 1 333.520 2.964 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499771 1311722723 /nfs/dbraw/zinc/72/27/23/1311722723.db2.gz ICMVVAQXJXVLCD-HKUYNNGSSA-N 2 1 333.520 2.964 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519116 1311726547 /nfs/dbraw/zinc/72/65/47/1311726547.db2.gz WWVRWYBGEPIXJE-UHFFFAOYSA-N 2 1 327.900 2.608 20 30 EFEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519116 1311726550 /nfs/dbraw/zinc/72/65/50/1311726550.db2.gz WWVRWYBGEPIXJE-UHFFFAOYSA-N 2 1 327.900 2.608 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519116 1311726553 /nfs/dbraw/zinc/72/65/53/1311726553.db2.gz WWVRWYBGEPIXJE-UHFFFAOYSA-N 2 1 327.900 2.608 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519116 1311726555 /nfs/dbraw/zinc/72/65/55/1311726555.db2.gz WWVRWYBGEPIXJE-UHFFFAOYSA-N 2 1 327.900 2.608 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277153185 1311727047 /nfs/dbraw/zinc/72/70/47/1311727047.db2.gz XZCZXBDYJRLLOG-FXAWDEMLSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778064 1311779073 /nfs/dbraw/zinc/77/90/73/1311779073.db2.gz FGZZRYFOSAOPQK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778064 1311779074 /nfs/dbraw/zinc/77/90/74/1311779074.db2.gz FGZZRYFOSAOPQK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778064 1311779078 /nfs/dbraw/zinc/77/90/78/1311779078.db2.gz FGZZRYFOSAOPQK-UHFFFAOYSA-N 2 1 345.531 2.803 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160953698 1311820558 /nfs/dbraw/zinc/82/05/58/1311820558.db2.gz HGBKRCRWEPJVGA-VSGCLNPGSA-N 2 1 331.420 2.584 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160953698 1311820562 /nfs/dbraw/zinc/82/05/62/1311820562.db2.gz HGBKRCRWEPJVGA-VSGCLNPGSA-N 2 1 331.420 2.584 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001160958077 1311821100 /nfs/dbraw/zinc/82/11/00/1311821100.db2.gz ZONRXFWSODKAFT-INIZCTEOSA-N 3 1 330.476 2.617 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277224525 1311828478 /nfs/dbraw/zinc/82/84/78/1311828478.db2.gz CECYEBNMJYXOJJ-XLIONFOSSA-N 2 1 335.536 2.974 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792684 1311856178 /nfs/dbraw/zinc/85/61/78/1311856178.db2.gz RKUDZXGVZNYYIH-ZWKOTPCHSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101612 1311857317 /nfs/dbraw/zinc/85/73/17/1311857317.db2.gz GSTDWIGMDDZACP-QGZVFWFLSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531875 1311870510 /nfs/dbraw/zinc/87/05/10/1311870510.db2.gz IRXIPWLRKFBPSU-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531875 1311870511 /nfs/dbraw/zinc/87/05/11/1311870511.db2.gz IRXIPWLRKFBPSU-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531875 1311870515 /nfs/dbraw/zinc/87/05/15/1311870515.db2.gz IRXIPWLRKFBPSU-HAGHYFMRSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382863 1311874505 /nfs/dbraw/zinc/87/45/05/1311874505.db2.gz BWAHWAPWRMFBPC-SFHVURJKSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383036 1311874586 /nfs/dbraw/zinc/87/45/86/1311874586.db2.gz GAHDXPPYMBRROU-GOSISDBHSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538020 1311878081 /nfs/dbraw/zinc/87/80/81/1311878081.db2.gz IGSPGLQWFJTSMF-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538020 1311878083 /nfs/dbraw/zinc/87/80/83/1311878083.db2.gz IGSPGLQWFJTSMF-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538020 1311878084 /nfs/dbraw/zinc/87/80/84/1311878084.db2.gz IGSPGLQWFJTSMF-RDGPPVDQSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538504 1311878740 /nfs/dbraw/zinc/87/87/40/1311878740.db2.gz XMRSBNZUDPZRSX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538504 1311878744 /nfs/dbraw/zinc/87/87/44/1311878744.db2.gz XMRSBNZUDPZRSX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538504 1311878747 /nfs/dbraw/zinc/87/87/47/1311878747.db2.gz XMRSBNZUDPZRSX-UHZRXMQZSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538502 1311879261 /nfs/dbraw/zinc/87/92/61/1311879261.db2.gz XMRSBNZUDPZRSX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538502 1311879263 /nfs/dbraw/zinc/87/92/63/1311879263.db2.gz XMRSBNZUDPZRSX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538502 1311879264 /nfs/dbraw/zinc/87/92/64/1311879264.db2.gz XMRSBNZUDPZRSX-OBKDMQGPSA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545635 1311888739 /nfs/dbraw/zinc/88/87/39/1311888739.db2.gz GSAYGJXWBOWTBP-VBUUOAMHSA-N 2 1 338.455 2.883 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001228168374 1311910140 /nfs/dbraw/zinc/91/01/40/1311910140.db2.gz ZVSQJLWVJICCRA-AQNXPRMDSA-N 2 1 345.531 2.824 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553535 1311913883 /nfs/dbraw/zinc/91/38/83/1311913883.db2.gz DIGWYPVJUQJSBB-UHFFFAOYSA-N 2 1 339.911 2.609 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553535 1311913885 /nfs/dbraw/zinc/91/38/85/1311913885.db2.gz DIGWYPVJUQJSBB-UHFFFAOYSA-N 2 1 339.911 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555173 1311914340 /nfs/dbraw/zinc/91/43/40/1311914340.db2.gz ZFXBJZNJUVDAKY-UHFFFAOYSA-N 2 1 333.520 2.823 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570473 1311917960 /nfs/dbraw/zinc/91/79/60/1311917960.db2.gz PMQGFDAOGYDMHO-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570473 1311917963 /nfs/dbraw/zinc/91/79/63/1311917963.db2.gz PMQGFDAOGYDMHO-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570473 1311917967 /nfs/dbraw/zinc/91/79/67/1311917967.db2.gz PMQGFDAOGYDMHO-KNJMJIDISA-N 2 1 345.531 2.939 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572625 1311921069 /nfs/dbraw/zinc/92/10/69/1311921069.db2.gz PCPMPQZZEHFGRV-IYWMVGAKSA-N 2 1 345.531 2.632 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572625 1311921072 /nfs/dbraw/zinc/92/10/72/1311921072.db2.gz PCPMPQZZEHFGRV-IYWMVGAKSA-N 2 1 345.531 2.632 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048583901 1311934294 /nfs/dbraw/zinc/93/42/94/1311934294.db2.gz NHHXBYLRICVITF-BJWYYQGGSA-N 2 1 342.487 2.697 20 30 EFEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679318 1311949345 /nfs/dbraw/zinc/94/93/45/1311949345.db2.gz ZEOMWSRGUOQGQH-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679318 1311949347 /nfs/dbraw/zinc/94/93/47/1311949347.db2.gz ZEOMWSRGUOQGQH-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679318 1311949349 /nfs/dbraw/zinc/94/93/49/1311949349.db2.gz ZEOMWSRGUOQGQH-FQEVSTJZSA-N 2 1 345.531 2.803 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705168 1311956027 /nfs/dbraw/zinc/95/60/27/1311956027.db2.gz MSVCSDWIBWVSSU-RBUKOAKNSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716310 1311958691 /nfs/dbraw/zinc/95/86/91/1311958691.db2.gz MAERQTMGXRTUGX-QGZVFWFLSA-N 2 1 331.504 2.575 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723466 1311959979 /nfs/dbraw/zinc/95/99/79/1311959979.db2.gz PHTCODWVBMWMQZ-UHFFFAOYSA-N 2 1 342.487 2.866 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228640322 1311974360 /nfs/dbraw/zinc/97/43/60/1311974360.db2.gz UKGQGEOHIDIYRE-WOJBJXKFSA-N 2 1 343.515 2.754 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228865176 1312012530 /nfs/dbraw/zinc/01/25/30/1312012530.db2.gz VKLDJUCIJNMFHD-RDJZCZTQSA-N 2 1 344.503 2.689 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953623 1312012536 /nfs/dbraw/zinc/01/25/36/1312012536.db2.gz YNODSKSOHWEMMJ-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161987289 1312022614 /nfs/dbraw/zinc/02/26/14/1312022614.db2.gz VRQLSTRMLJSUSQ-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161987289 1312022617 /nfs/dbraw/zinc/02/26/17/1312022617.db2.gz VRQLSTRMLJSUSQ-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987289 1312022620 /nfs/dbraw/zinc/02/26/20/1312022620.db2.gz VRQLSTRMLJSUSQ-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987289 1312022622 /nfs/dbraw/zinc/02/26/22/1312022622.db2.gz VRQLSTRMLJSUSQ-UHFFFAOYSA-N 2 1 341.499 2.833 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228939373 1312023675 /nfs/dbraw/zinc/02/36/75/1312023675.db2.gz KZQDGBHGQOXTLI-IAGOWNOFSA-N 2 1 332.492 2.990 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052589 1312179412 /nfs/dbraw/zinc/17/94/12/1312179412.db2.gz FOPTXGICTXOAAB-OAHLLOKOSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052588 1312179674 /nfs/dbraw/zinc/17/96/74/1312179674.db2.gz FOPTXGICTXOAAB-HNNXBMFYSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001162982830 1312218483 /nfs/dbraw/zinc/21/84/83/1312218483.db2.gz QYUGCRZRYFNDLB-FQEVSTJZSA-N 2 1 343.515 2.565 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001162982799 1312218521 /nfs/dbraw/zinc/21/85/21/1312218521.db2.gz PLNMBJQLBDMCMP-FQEVSTJZSA-N 2 1 343.515 2.565 20 30 EFEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001163001905 1312223546 /nfs/dbraw/zinc/22/35/46/1312223546.db2.gz PZNALLWFLURCLQ-KDURUIRLSA-N 2 1 343.515 2.706 20 30 EFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230516173 1312251762 /nfs/dbraw/zinc/25/17/62/1312251762.db2.gz OYLFJACWEXJIHU-INIZCTEOSA-N 2 1 333.395 2.670 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591550 1312275698 /nfs/dbraw/zinc/27/56/98/1312275698.db2.gz BTZURDFYIQPZBS-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001230591752 1312276018 /nfs/dbraw/zinc/27/60/18/1312276018.db2.gz ILZUVLSWADAYJO-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598613 1312278783 /nfs/dbraw/zinc/27/87/83/1312278783.db2.gz UUMFVCOXEWSEKK-OALUTQOASA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230606744 1312281503 /nfs/dbraw/zinc/28/15/03/1312281503.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230606744 1312281506 /nfs/dbraw/zinc/28/15/06/1312281506.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230606744 1312281509 /nfs/dbraw/zinc/28/15/09/1312281509.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230613196 1312283764 /nfs/dbraw/zinc/28/37/64/1312283764.db2.gz MBNTVFGOCFWXKQ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230613196 1312283768 /nfs/dbraw/zinc/28/37/68/1312283768.db2.gz MBNTVFGOCFWXKQ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230613196 1312283772 /nfs/dbraw/zinc/28/37/72/1312283772.db2.gz MBNTVFGOCFWXKQ-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618444 1312285461 /nfs/dbraw/zinc/28/54/61/1312285461.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618444 1312285464 /nfs/dbraw/zinc/28/54/64/1312285464.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618444 1312285468 /nfs/dbraw/zinc/28/54/68/1312285468.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618386 1312285868 /nfs/dbraw/zinc/28/58/68/1312285868.db2.gz MICQQMNFOACEQM-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618386 1312285870 /nfs/dbraw/zinc/28/58/70/1312285870.db2.gz MICQQMNFOACEQM-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618386 1312285872 /nfs/dbraw/zinc/28/58/72/1312285872.db2.gz MICQQMNFOACEQM-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617926 1312285965 /nfs/dbraw/zinc/28/59/65/1312285965.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617926 1312285967 /nfs/dbraw/zinc/28/59/67/1312285967.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617926 1312285970 /nfs/dbraw/zinc/28/59/70/1312285970.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 2 1 341.927 2.784 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622248 1312287250 /nfs/dbraw/zinc/28/72/50/1312287250.db2.gz LWOPVFBCPNPHFM-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621884 1312287760 /nfs/dbraw/zinc/28/77/60/1312287760.db2.gz IFSWUPIBOCDJRV-FQEVSTJZSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230622192 1312287907 /nfs/dbraw/zinc/28/79/07/1312287907.db2.gz KMUYGBKTGOWIDP-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230621837 1312288049 /nfs/dbraw/zinc/28/80/49/1312288049.db2.gz HPPNFQMKJROIDR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230621837 1312288054 /nfs/dbraw/zinc/28/80/54/1312288054.db2.gz HPPNFQMKJROIDR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230621837 1312288056 /nfs/dbraw/zinc/28/80/56/1312288056.db2.gz HPPNFQMKJROIDR-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628015 1312289984 /nfs/dbraw/zinc/28/99/84/1312289984.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628015 1312289986 /nfs/dbraw/zinc/28/99/86/1312289986.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628015 1312289990 /nfs/dbraw/zinc/28/99/90/1312289990.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628131 1312290028 /nfs/dbraw/zinc/29/00/28/1312290028.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628131 1312290031 /nfs/dbraw/zinc/29/00/31/1312290031.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628131 1312290035 /nfs/dbraw/zinc/29/00/35/1312290035.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714086 1312297339 /nfs/dbraw/zinc/29/73/39/1312297339.db2.gz UAJQLEZYFSSVDZ-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP CC(Nc1cc(Cl)nc2c1CC[NH2+]C2)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163473182 1312320769 /nfs/dbraw/zinc/32/07/69/1312320769.db2.gz LEMPNZJJEAHAOR-UHFFFAOYSA-N 3 1 343.862 2.870 20 30 EFEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781757 1312340943 /nfs/dbraw/zinc/34/09/43/1312340943.db2.gz VSIZGZIPUVODHH-IBGZPJMESA-N 2 1 346.519 2.552 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000381367054 1312458433 /nfs/dbraw/zinc/45/84/33/1312458433.db2.gz HUUOGOYUNMVFNC-UHFFFAOYSA-N 2 1 325.250 2.502 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000381367054 1312458434 /nfs/dbraw/zinc/45/84/34/1312458434.db2.gz HUUOGOYUNMVFNC-UHFFFAOYSA-N 2 1 325.250 2.502 20 30 EFEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540379 1312536176 /nfs/dbraw/zinc/53/61/76/1312536176.db2.gz JFDPXGUIHXGUDS-GOSISDBHSA-N 2 1 345.531 2.540 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001231819540 1312569792 /nfs/dbraw/zinc/56/97/92/1312569792.db2.gz BJIVCXPRGKSTPV-UHFFFAOYSA-N 2 1 326.488 2.954 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232786 1312607635 /nfs/dbraw/zinc/60/76/35/1312607635.db2.gz ZOJTUCGRCPAMIS-BGYRXZFFSA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049234640 1312609661 /nfs/dbraw/zinc/60/96/61/1312609661.db2.gz GXFUFJCYXVSXAZ-KDURUIRLSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485089 1312636322 /nfs/dbraw/zinc/63/63/22/1312636322.db2.gz LJVWDEBYXZLARL-INIZCTEOSA-N 2 1 330.476 2.603 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858190 1314425884 /nfs/dbraw/zinc/42/58/84/1314425884.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858190 1314425888 /nfs/dbraw/zinc/42/58/88/1314425888.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858190 1314425893 /nfs/dbraw/zinc/42/58/93/1314425893.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857521 1314426298 /nfs/dbraw/zinc/42/62/98/1314426298.db2.gz OEHFAUICHJJFOA-IBGZPJMESA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857739 1314426310 /nfs/dbraw/zinc/42/63/10/1314426310.db2.gz SOTFRMSPODRGKW-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)CC2)CC1 ZINC001052953732 1314513458 /nfs/dbraw/zinc/51/34/58/1314513458.db2.gz GYLMBDNOWQKPRB-FQEVSTJZSA-N 2 1 347.547 2.739 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001246001837 1314562916 /nfs/dbraw/zinc/56/29/16/1314562916.db2.gz OYMZISSRCCCKNU-MSOLQXFVSA-N 2 1 340.508 2.690 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246028054 1314569471 /nfs/dbraw/zinc/56/94/71/1314569471.db2.gz MCFMWPPANXYWTR-CEXWTWQISA-N 2 1 326.525 2.798 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246028054 1314569476 /nfs/dbraw/zinc/56/94/76/1314569476.db2.gz MCFMWPPANXYWTR-CEXWTWQISA-N 2 1 326.525 2.798 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246046944 1314573736 /nfs/dbraw/zinc/57/37/36/1314573736.db2.gz UPDAQTPXIQHQEH-OALUTQOASA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCCCCCC[C@H](O)C[N@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246046944 1314573740 /nfs/dbraw/zinc/57/37/40/1314573740.db2.gz UPDAQTPXIQHQEH-OALUTQOASA-N 2 1 326.525 2.964 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048312 1314574454 /nfs/dbraw/zinc/57/44/54/1314574454.db2.gz WQXQMKXGDNTYPJ-TUVJXNFZSA-N 2 1 326.525 2.784 20 30 EFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246050488 1314574674 /nfs/dbraw/zinc/57/46/74/1314574674.db2.gz WXVXQFUUACSAIZ-UXHICEINSA-N 2 1 339.568 2.985 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027826 1314598125 /nfs/dbraw/zinc/59/81/25/1314598125.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027826 1314598130 /nfs/dbraw/zinc/59/81/30/1314598130.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027826 1314598135 /nfs/dbraw/zinc/59/81/35/1314598135.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246218029 1314598558 /nfs/dbraw/zinc/59/85/58/1314598558.db2.gz YQWUJAAFDLQHKZ-IRFCIJBXSA-N 2 1 342.483 2.839 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028341 1314599284 /nfs/dbraw/zinc/59/92/84/1314599284.db2.gz LEVFQFPPFZEBMQ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030019 1314604486 /nfs/dbraw/zinc/60/44/86/1314604486.db2.gz ZYAZJLJZUVRVFC-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030723 1314605324 /nfs/dbraw/zinc/60/53/24/1314605324.db2.gz GUVBCMBANFIBJO-RTBURBONSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623132 /nfs/dbraw/zinc/62/31/32/1314623132.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623136 /nfs/dbraw/zinc/62/31/36/1314623136.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623141 /nfs/dbraw/zinc/62/31/41/1314623141.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623337 /nfs/dbraw/zinc/62/33/37/1314623337.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623342 /nfs/dbraw/zinc/62/33/42/1314623342.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623345 /nfs/dbraw/zinc/62/33/45/1314623345.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045182 1314628566 /nfs/dbraw/zinc/62/85/66/1314628566.db2.gz XQULGEUSTLDNLJ-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442887 1314629785 /nfs/dbraw/zinc/62/97/85/1314629785.db2.gz QVALJSNHBRCWFH-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442887 1314629789 /nfs/dbraw/zinc/62/97/89/1314629789.db2.gz QVALJSNHBRCWFH-XLNTUCKNSA-N 3 1 326.488 2.771 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050168 1314636257 /nfs/dbraw/zinc/63/62/57/1314636257.db2.gz IAKYRYHQWDHDHK-OALUTQOASA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246528717 1314642025 /nfs/dbraw/zinc/64/20/25/1314642025.db2.gz ZYHPRWOOIBMGFP-IRXDYDNUSA-N 2 1 335.492 2.628 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246528715 1314642361 /nfs/dbraw/zinc/64/23/61/1314642361.db2.gz ZYHPRWOOIBMGFP-DLBZAZTESA-N 2 1 335.492 2.628 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088425 1314695441 /nfs/dbraw/zinc/69/54/41/1314695441.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088425 1314695446 /nfs/dbraw/zinc/69/54/46/1314695446.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088425 1314695453 /nfs/dbraw/zinc/69/54/53/1314695453.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088424 1314696418 /nfs/dbraw/zinc/69/64/18/1314696418.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088424 1314696422 /nfs/dbraw/zinc/69/64/22/1314696422.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088424 1314696429 /nfs/dbraw/zinc/69/64/29/1314696429.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246889531 1314704219 /nfs/dbraw/zinc/70/42/19/1314704219.db2.gz FEWJIINUKGRUFQ-MOPGFXCFSA-N 2 1 326.488 2.847 20 30 EFEDMP CCCCCCC[C@H](CCC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923654 1314709027 /nfs/dbraw/zinc/70/90/27/1314709027.db2.gz DOTYHPKWSSNHAN-SFHVURJKSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCC[C@H](CCC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923654 1314709029 /nfs/dbraw/zinc/70/90/29/1314709029.db2.gz DOTYHPKWSSNHAN-SFHVURJKSA-N 2 1 342.572 2.631 20 30 EFEDMP C=CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053098955 1314713727 /nfs/dbraw/zinc/71/37/27/1314713727.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098955 1314713730 /nfs/dbraw/zinc/71/37/30/1314713730.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053098955 1314713732 /nfs/dbraw/zinc/71/37/32/1314713732.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636552 1314719000 /nfs/dbraw/zinc/71/90/00/1314719000.db2.gz LVTIFTTXKAQKKB-ZHALLVOQSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662159 1314722843 /nfs/dbraw/zinc/72/28/43/1314722843.db2.gz WMZTVGYRUMUAKL-BRWVUGGUSA-N 2 1 332.492 2.799 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103961 1314723517 /nfs/dbraw/zinc/72/35/17/1314723517.db2.gz BEBKUOXNBRXBHX-UXHICEINSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103884 1314724201 /nfs/dbraw/zinc/72/42/01/1314724201.db2.gz ARTXYWTZUALHMB-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105412 1314727851 /nfs/dbraw/zinc/72/78/51/1314727851.db2.gz OIIZDTXZBJZVRE-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108099 1314733279 /nfs/dbraw/zinc/73/32/79/1314733279.db2.gz PEFWGEQJNMXHHI-RTBURBONSA-N 2 1 333.520 2.751 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401017733 1314792585 /nfs/dbraw/zinc/79/25/85/1314792585.db2.gz JJCAXCRCMUHNBJ-OKZBNKHCSA-N 2 1 349.519 2.567 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401017733 1314792589 /nfs/dbraw/zinc/79/25/89/1314792589.db2.gz JJCAXCRCMUHNBJ-OKZBNKHCSA-N 2 1 349.519 2.567 20 30 EFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215722971 1314871959 /nfs/dbraw/zinc/87/19/59/1314871959.db2.gz ORNVRLCXZPRBNA-IXDOHACOSA-N 2 1 332.492 2.798 20 30 EFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215767357 1314876151 /nfs/dbraw/zinc/87/61/51/1314876151.db2.gz SDXXHHRBOMLGLT-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216352266 1314943827 /nfs/dbraw/zinc/94/38/27/1314943827.db2.gz LFWULTFVIBRBGH-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216353211 1314944199 /nfs/dbraw/zinc/94/41/99/1314944199.db2.gz WQMNYCIJXDLFIB-QRQLOZEOSA-N 2 1 329.488 2.692 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987953 1315028317 /nfs/dbraw/zinc/02/83/17/1315028317.db2.gz MRNVAOHPVKHEKS-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987953 1315028321 /nfs/dbraw/zinc/02/83/21/1315028321.db2.gz MRNVAOHPVKHEKS-QWFCFKBJSA-N 2 1 343.515 2.910 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218203352 1315163234 /nfs/dbraw/zinc/16/32/34/1315163234.db2.gz DXSZOERYTBIGHX-FQEVSTJZSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218203352 1315163239 /nfs/dbraw/zinc/16/32/39/1315163239.db2.gz DXSZOERYTBIGHX-FQEVSTJZSA-N 2 1 335.451 2.937 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135195 1315346957 /nfs/dbraw/zinc/34/69/57/1315346957.db2.gz WCUNXLLLYTVZDP-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135195 1315346961 /nfs/dbraw/zinc/34/69/61/1315346961.db2.gz WCUNXLLLYTVZDP-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135195 1315346965 /nfs/dbraw/zinc/34/69/65/1315346965.db2.gz WCUNXLLLYTVZDP-NLWGTHIKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141386 1315356272 /nfs/dbraw/zinc/35/62/72/1315356272.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141386 1315356273 /nfs/dbraw/zinc/35/62/73/1315356273.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141386 1315356279 /nfs/dbraw/zinc/35/62/79/1315356279.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142459 1315359118 /nfs/dbraw/zinc/35/91/18/1315359118.db2.gz CGKSBAUABKMOGS-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142459 1315359121 /nfs/dbraw/zinc/35/91/21/1315359121.db2.gz CGKSBAUABKMOGS-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142459 1315359124 /nfs/dbraw/zinc/35/91/24/1315359124.db2.gz CGKSBAUABKMOGS-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144168 1315361218 /nfs/dbraw/zinc/36/12/18/1315361218.db2.gz RAGSBDQKFZNOER-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144168 1315361221 /nfs/dbraw/zinc/36/12/21/1315361221.db2.gz RAGSBDQKFZNOER-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144168 1315361223 /nfs/dbraw/zinc/36/12/23/1315361223.db2.gz RAGSBDQKFZNOER-PZJWPPBQSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145234 1315363957 /nfs/dbraw/zinc/36/39/57/1315363957.db2.gz NKBUBHZQCDDBMR-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147127 1315368430 /nfs/dbraw/zinc/36/84/30/1315368430.db2.gz KTMDZYIBBDIKDO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147127 1315368434 /nfs/dbraw/zinc/36/84/34/1315368434.db2.gz KTMDZYIBBDIKDO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147127 1315368438 /nfs/dbraw/zinc/36/84/38/1315368438.db2.gz KTMDZYIBBDIKDO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054151785 1315375018 /nfs/dbraw/zinc/37/50/18/1315375018.db2.gz RPOUTEKCTMNDFU-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158620 1315386497 /nfs/dbraw/zinc/38/64/97/1315386497.db2.gz NTVUKXOZRSKNMI-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158620 1315386500 /nfs/dbraw/zinc/38/65/00/1315386500.db2.gz NTVUKXOZRSKNMI-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158620 1315386503 /nfs/dbraw/zinc/38/65/03/1315386503.db2.gz NTVUKXOZRSKNMI-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169918 1315403884 /nfs/dbraw/zinc/40/38/84/1315403884.db2.gz AOJPTOWMWGEWPE-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182456 1315423048 /nfs/dbraw/zinc/42/30/48/1315423048.db2.gz KOZIBHFJOFHJST-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182456 1315423051 /nfs/dbraw/zinc/42/30/51/1315423051.db2.gz KOZIBHFJOFHJST-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182456 1315423054 /nfs/dbraw/zinc/42/30/54/1315423054.db2.gz KOZIBHFJOFHJST-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183115 1315423723 /nfs/dbraw/zinc/42/37/23/1315423723.db2.gz YJKMOBUXOXQSIA-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183115 1315423727 /nfs/dbraw/zinc/42/37/27/1315423727.db2.gz YJKMOBUXOXQSIA-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183115 1315423728 /nfs/dbraw/zinc/42/37/28/1315423728.db2.gz YJKMOBUXOXQSIA-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191839 1315433328 /nfs/dbraw/zinc/43/33/28/1315433328.db2.gz NERDZRCXLKHZGS-QUCCMNQESA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198011 1315443147 /nfs/dbraw/zinc/44/31/47/1315443147.db2.gz NIYRXRPYROZKPO-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198011 1315443151 /nfs/dbraw/zinc/44/31/51/1315443151.db2.gz NIYRXRPYROZKPO-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198011 1315443155 /nfs/dbraw/zinc/44/31/55/1315443155.db2.gz NIYRXRPYROZKPO-SJLPKXTDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252460528 1315452354 /nfs/dbraw/zinc/45/23/54/1315452354.db2.gz CPCNZBKGKKOOPE-PKOBYXMFSA-N 2 1 348.487 2.520 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205251 1315453417 /nfs/dbraw/zinc/45/34/17/1315453417.db2.gz NVXZVRZAFOFRJN-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205251 1315453420 /nfs/dbraw/zinc/45/34/20/1315453420.db2.gz NVXZVRZAFOFRJN-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209882 1315461560 /nfs/dbraw/zinc/46/15/60/1315461560.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209882 1315461565 /nfs/dbraw/zinc/46/15/65/1315461565.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209882 1315461568 /nfs/dbraw/zinc/46/15/68/1315461568.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552192 1315466844 /nfs/dbraw/zinc/46/68/44/1315466844.db2.gz HQTFTIHCZWMKRU-UXHICEINSA-N 2 1 344.499 2.679 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219890 1315476634 /nfs/dbraw/zinc/47/66/34/1315476634.db2.gz YYZFUVIRGBCGAB-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054221814 1315478487 /nfs/dbraw/zinc/47/84/87/1315478487.db2.gz CLADVEHWSWJGJE-FQEVSTJZSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222883 1315479896 /nfs/dbraw/zinc/47/98/96/1315479896.db2.gz KVQYWAHXAQCGGV-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227897 1315487829 /nfs/dbraw/zinc/48/78/29/1315487829.db2.gz MEXJYVKJMIWGJS-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227897 1315487831 /nfs/dbraw/zinc/48/78/31/1315487831.db2.gz MEXJYVKJMIWGJS-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132525 1315515043 /nfs/dbraw/zinc/51/50/43/1315515043.db2.gz NMNXHBMSGXWYRW-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132525 1315515048 /nfs/dbraw/zinc/51/50/48/1315515048.db2.gz NMNXHBMSGXWYRW-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132525 1315515052 /nfs/dbraw/zinc/51/50/52/1315515052.db2.gz NMNXHBMSGXWYRW-SLFFLAALSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245537 1315516792 /nfs/dbraw/zinc/51/67/92/1315516792.db2.gz VEVFAZJIECTRMT-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245877 1315517272 /nfs/dbraw/zinc/51/72/72/1315517272.db2.gz GMAFVIHNZCNHKQ-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245877 1315517273 /nfs/dbraw/zinc/51/72/73/1315517273.db2.gz GMAFVIHNZCNHKQ-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245880 1315517721 /nfs/dbraw/zinc/51/77/21/1315517721.db2.gz GMAFVIHNZCNHKQ-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054245880 1315517723 /nfs/dbraw/zinc/51/77/23/1315517723.db2.gz GMAFVIHNZCNHKQ-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039134487 1315518355 /nfs/dbraw/zinc/51/83/55/1315518355.db2.gz QPTUGYPOEDVBOA-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134487 1315518359 /nfs/dbraw/zinc/51/83/59/1315518359.db2.gz QPTUGYPOEDVBOA-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039134487 1315518362 /nfs/dbraw/zinc/51/83/62/1315518362.db2.gz QPTUGYPOEDVBOA-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139798 1315528729 /nfs/dbraw/zinc/52/87/29/1315528729.db2.gz JWKFYUHPWNKERG-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139798 1315528737 /nfs/dbraw/zinc/52/87/37/1315528737.db2.gz JWKFYUHPWNKERG-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139798 1315528739 /nfs/dbraw/zinc/52/87/39/1315528739.db2.gz JWKFYUHPWNKERG-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141008 1315530890 /nfs/dbraw/zinc/53/08/90/1315530890.db2.gz NAZAIVWWFGGHIH-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141008 1315530897 /nfs/dbraw/zinc/53/08/97/1315530897.db2.gz NAZAIVWWFGGHIH-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141008 1315530899 /nfs/dbraw/zinc/53/08/99/1315530899.db2.gz NAZAIVWWFGGHIH-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145236 1315538530 /nfs/dbraw/zinc/53/85/30/1315538530.db2.gz XJAHRHTXOLJFDI-VQTJNVASSA-N 2 1 345.531 2.607 20 30 EFEDMP N#Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948064 1315540137 /nfs/dbraw/zinc/54/01/37/1315540137.db2.gz JHZSJWCZCSZFJH-YADHBBJMSA-N 2 1 347.462 2.772 20 30 EFEDMP N#Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948064 1315540142 /nfs/dbraw/zinc/54/01/42/1315540142.db2.gz JHZSJWCZCSZFJH-YADHBBJMSA-N 2 1 347.462 2.772 20 30 EFEDMP N#CC12CCC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC001252948770 1315542126 /nfs/dbraw/zinc/54/21/26/1315542126.db2.gz WNFVAVNZTRAPJJ-CBNMVNINSA-N 2 1 339.483 2.830 20 30 EFEDMP N#CC12CCC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC001252948770 1315542128 /nfs/dbraw/zinc/54/21/28/1315542128.db2.gz WNFVAVNZTRAPJJ-CBNMVNINSA-N 2 1 339.483 2.830 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153004 1315547976 /nfs/dbraw/zinc/54/79/76/1315547976.db2.gz MRGLHDYCKRHTKQ-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153004 1315547979 /nfs/dbraw/zinc/54/79/79/1315547979.db2.gz MRGLHDYCKRHTKQ-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153004 1315547982 /nfs/dbraw/zinc/54/79/82/1315547982.db2.gz MRGLHDYCKRHTKQ-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555765 1315550425 /nfs/dbraw/zinc/55/04/25/1315550425.db2.gz XSLWPKPIUZALNT-VAMGGRTRSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585104 1315557928 /nfs/dbraw/zinc/55/79/28/1315557928.db2.gz TXVPHHBEPCMOJF-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585104 1315557933 /nfs/dbraw/zinc/55/79/33/1315557933.db2.gz TXVPHHBEPCMOJF-NVXWUHKLSA-N 2 1 347.528 2.922 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167182 1315568991 /nfs/dbraw/zinc/56/89/91/1315568991.db2.gz NTKNFUOACGMEFU-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167182 1315568994 /nfs/dbraw/zinc/56/89/94/1315568994.db2.gz NTKNFUOACGMEFU-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167182 1315568997 /nfs/dbraw/zinc/56/89/97/1315568997.db2.gz NTKNFUOACGMEFU-PMACEKPBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182495 1315589977 /nfs/dbraw/zinc/58/99/77/1315589977.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182495 1315589980 /nfs/dbraw/zinc/58/99/80/1315589980.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182495 1315589986 /nfs/dbraw/zinc/58/99/86/1315589986.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039183135 1315591476 /nfs/dbraw/zinc/59/14/76/1315591476.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183135 1315591479 /nfs/dbraw/zinc/59/14/79/1315591479.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183135 1315591481 /nfs/dbraw/zinc/59/14/81/1315591481.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001039187991 1315596386 /nfs/dbraw/zinc/59/63/86/1315596386.db2.gz IUEXNHQRYJSDGF-GOSISDBHSA-N 2 1 344.503 2.787 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205254 1315617959 /nfs/dbraw/zinc/61/79/59/1315617959.db2.gz NXZYFEIWPOSYEY-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205254 1315617963 /nfs/dbraw/zinc/61/79/63/1315617963.db2.gz NXZYFEIWPOSYEY-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205254 1315617965 /nfs/dbraw/zinc/61/79/65/1315617965.db2.gz NXZYFEIWPOSYEY-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205253 1315618001 /nfs/dbraw/zinc/61/80/01/1315618001.db2.gz NXZYFEIWPOSYEY-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205253 1315618004 /nfs/dbraw/zinc/61/80/04/1315618004.db2.gz NXZYFEIWPOSYEY-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205253 1315618008 /nfs/dbraw/zinc/61/80/08/1315618008.db2.gz NXZYFEIWPOSYEY-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208317 1315621245 /nfs/dbraw/zinc/62/12/45/1315621245.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208317 1315621249 /nfs/dbraw/zinc/62/12/49/1315621249.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001039208317 1315621253 /nfs/dbraw/zinc/62/12/53/1315621253.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 1 330.476 2.621 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225458 1315646427 /nfs/dbraw/zinc/64/64/27/1315646427.db2.gz OIVBIMGULVJVFW-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225455 1315646452 /nfs/dbraw/zinc/64/64/52/1315646452.db2.gz OIVBIMGULVJVFW-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225738 1315646730 /nfs/dbraw/zinc/64/67/30/1315646730.db2.gz QVUIFXIQHRPQRI-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)CN1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000236704 1315649973 /nfs/dbraw/zinc/64/99/73/1315649973.db2.gz CXYODCLPEAKJOE-INIZCTEOSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000236704 1315649981 /nfs/dbraw/zinc/64/99/81/1315649981.db2.gz CXYODCLPEAKJOE-INIZCTEOSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234160 1315657180 /nfs/dbraw/zinc/65/71/80/1315657180.db2.gz PRCWGAXSIYMTPM-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235510 1315659754 /nfs/dbraw/zinc/65/97/54/1315659754.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235510 1315659756 /nfs/dbraw/zinc/65/97/56/1315659756.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235510 1315659759 /nfs/dbraw/zinc/65/97/59/1315659759.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236348 1315660931 /nfs/dbraw/zinc/66/09/31/1315660931.db2.gz ZHUKSVDNPOBZNE-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236297 1315660979 /nfs/dbraw/zinc/66/09/79/1315660979.db2.gz YPGQSMUWVNHXCK-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP N#CC[C@@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038660 1315667861 /nfs/dbraw/zinc/66/78/61/1315667861.db2.gz MUHCDXCTUWMESL-IBGZPJMESA-N 2 1 327.472 2.639 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241385 1315668949 /nfs/dbraw/zinc/66/89/49/1315668949.db2.gz AMIPRQSTZBWRNU-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241385 1315668951 /nfs/dbraw/zinc/66/89/51/1315668951.db2.gz AMIPRQSTZBWRNU-RTBURBONSA-N 2 1 344.503 2.861 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039276902 1315698278 /nfs/dbraw/zinc/69/82/78/1315698278.db2.gz PTLIJWGNLGTTPO-XVLXNVKGSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039282180 1315700565 /nfs/dbraw/zinc/70/05/65/1315700565.db2.gz FPCDDDQVEPCIFT-XVLXNVKGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039297806 1315706853 /nfs/dbraw/zinc/70/68/53/1315706853.db2.gz ARVXSVBCXODCDQ-AYHJJNSGSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039298227 1315707262 /nfs/dbraw/zinc/70/72/62/1315707262.db2.gz QLNVNKYCUXFVIQ-LNRIEFBSSA-N 2 1 339.911 2.582 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254516202 1315713354 /nfs/dbraw/zinc/71/33/54/1315713354.db2.gz KGVJNEKMDZTZEX-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254516202 1315713358 /nfs/dbraw/zinc/71/33/58/1315713358.db2.gz KGVJNEKMDZTZEX-GOSISDBHSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[NH+](C)CC1)[C@H]2CC ZINC001254517702 1315714837 /nfs/dbraw/zinc/71/48/37/1315714837.db2.gz JELBEXQNWXEFFE-BJLQDIEVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1CCC[N@H+](C)CC1)[C@H]2CC ZINC001254517702 1315714840 /nfs/dbraw/zinc/71/48/40/1315714840.db2.gz JELBEXQNWXEFFE-BJLQDIEVSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1CCC[N@@H+](C)CC1)[C@H]2CC ZINC001254517702 1315714842 /nfs/dbraw/zinc/71/48/42/1315714842.db2.gz JELBEXQNWXEFFE-BJLQDIEVSA-N 2 1 333.520 2.892 20 30 EFEDMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254646888 1315734567 /nfs/dbraw/zinc/73/45/67/1315734567.db2.gz PSEDQFTUQBRKBD-HOTGVXAUSA-N 2 1 338.496 2.505 20 30 EFEDMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254646889 1315734964 /nfs/dbraw/zinc/73/49/64/1315734964.db2.gz PSEDQFTUQBRKBD-HZPDHXFCSA-N 2 1 338.496 2.505 20 30 EFEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254647450 1315735000 /nfs/dbraw/zinc/73/50/00/1315735000.db2.gz DAAYZEZRLWJDNP-HKUYNNGSSA-N 2 1 327.472 2.984 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001522699 1315735125 /nfs/dbraw/zinc/73/51/25/1315735125.db2.gz OWBTUGJEMCWXNF-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001522699 1315735127 /nfs/dbraw/zinc/73/51/27/1315735127.db2.gz OWBTUGJEMCWXNF-IAGOWNOFSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740905 /nfs/dbraw/zinc/74/09/05/1315740905.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740908 /nfs/dbraw/zinc/74/09/08/1315740908.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740911 /nfs/dbraw/zinc/74/09/11/1315740911.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050157584 1315746214 /nfs/dbraw/zinc/74/62/14/1315746214.db2.gz IPQAPIUVEYYDOT-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050157584 1315746219 /nfs/dbraw/zinc/74/62/19/1315746219.db2.gz IPQAPIUVEYYDOT-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039386940 1315756095 /nfs/dbraw/zinc/75/60/95/1315756095.db2.gz LFYCHAJNEUQJFA-QYZOEREBSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386940 1315756098 /nfs/dbraw/zinc/75/60/98/1315756098.db2.gz LFYCHAJNEUQJFA-QYZOEREBSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039386940 1315756101 /nfs/dbraw/zinc/75/61/01/1315756101.db2.gz LFYCHAJNEUQJFA-QYZOEREBSA-N 2 1 331.504 2.645 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401876 1315766776 /nfs/dbraw/zinc/76/67/76/1315766776.db2.gz XNTODSBLIPHLER-MSOLQXFVSA-N 2 1 338.455 2.979 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001039411460 1315773811 /nfs/dbraw/zinc/77/38/11/1315773811.db2.gz VQISXJVILQBCKE-MOPGFXCFSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125214 1315779617 /nfs/dbraw/zinc/77/96/17/1315779617.db2.gz SAPOVIYHTOIAML-OWZKRDHZSA-N 2 1 341.499 2.854 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001050563353 1315782664 /nfs/dbraw/zinc/78/26/64/1315782664.db2.gz JNXADGTVMRQZSS-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563357 1315782949 /nfs/dbraw/zinc/78/29/49/1315782949.db2.gz JNXADGTVMRQZSS-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001050563466 1315783016 /nfs/dbraw/zinc/78/30/16/1315783016.db2.gz KWWDWVFLKGDDNH-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425580 1315784252 /nfs/dbraw/zinc/78/42/52/1315784252.db2.gz KDVNEZVENIPRIY-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425580 1315784254 /nfs/dbraw/zinc/78/42/54/1315784254.db2.gz KDVNEZVENIPRIY-SJORKVTESA-N 2 1 331.460 2.596 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434155 1315789053 /nfs/dbraw/zinc/78/90/53/1315789053.db2.gz BRLQRUOUOCKELL-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434155 1315789056 /nfs/dbraw/zinc/78/90/56/1315789056.db2.gz BRLQRUOUOCKELL-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039434155 1315789059 /nfs/dbraw/zinc/78/90/59/1315789059.db2.gz BRLQRUOUOCKELL-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447812 1315797621 /nfs/dbraw/zinc/79/76/21/1315797621.db2.gz KYXUEVYUNHLWJG-QRVBRYPASA-N 2 1 333.520 2.892 20 30 EFEDMP [NH2+]=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC001255385309 1315814473 /nfs/dbraw/zinc/81/44/73/1315814473.db2.gz GDVKGCMSLPGZJN-QGZVFWFLSA-N 2 1 326.419 2.981 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474588 1315817247 /nfs/dbraw/zinc/81/72/47/1315817247.db2.gz PLMNZSSVBNSJDC-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474588 1315817249 /nfs/dbraw/zinc/81/72/49/1315817249.db2.gz PLMNZSSVBNSJDC-AABGKKOBSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051290005 1315843823 /nfs/dbraw/zinc/84/38/23/1315843823.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051290005 1315843826 /nfs/dbraw/zinc/84/38/26/1315843826.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051290005 1315843827 /nfs/dbraw/zinc/84/38/27/1315843827.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051290006 1315843856 /nfs/dbraw/zinc/84/38/56/1315843856.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051290006 1315843857 /nfs/dbraw/zinc/84/38/57/1315843857.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051290006 1315843859 /nfs/dbraw/zinc/84/38/59/1315843859.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255674689 1315856643 /nfs/dbraw/zinc/85/66/43/1315856643.db2.gz SRIOMXCIUKVFND-JWTNVVGKSA-N 2 1 347.503 2.722 20 30 EFEDMP CN1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256202130 1315916763 /nfs/dbraw/zinc/91/67/63/1315916763.db2.gz YSEYBZWOISIRPK-WGSAOQKQSA-N 2 1 326.488 2.724 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427866 1315946030 /nfs/dbraw/zinc/94/60/30/1315946030.db2.gz BWXHJSXQJMPGIV-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427866 1315946027 /nfs/dbraw/zinc/94/60/27/1315946027.db2.gz BWXHJSXQJMPGIV-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427866 1315946029 /nfs/dbraw/zinc/94/60/29/1315946029.db2.gz BWXHJSXQJMPGIV-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522418 1315951442 /nfs/dbraw/zinc/95/14/42/1315951442.db2.gz GWBBCAGNGKJGSB-MJGOQNOKSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522418 1315951446 /nfs/dbraw/zinc/95/14/46/1315951446.db2.gz GWBBCAGNGKJGSB-MJGOQNOKSA-N 2 1 329.488 2.712 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513615 1315961611 /nfs/dbraw/zinc/96/16/11/1315961611.db2.gz HEPVCGUKRKOSJZ-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256576905 1315963254 /nfs/dbraw/zinc/96/32/54/1315963254.db2.gz VHTSRFGQAYDQHQ-UHFFFAOYSA-N 2 1 348.579 2.541 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001256623325 1315970892 /nfs/dbraw/zinc/97/08/92/1315970892.db2.gz NXIPIUMYHFEOTJ-NHJHPMQKSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001256623325 1315970895 /nfs/dbraw/zinc/97/08/95/1315970895.db2.gz NXIPIUMYHFEOTJ-NHJHPMQKSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001256623325 1315970898 /nfs/dbraw/zinc/97/08/98/1315970898.db2.gz NXIPIUMYHFEOTJ-NHJHPMQKSA-N 2 1 347.503 2.722 20 30 EFEDMP N#CC1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001256968248 1316015562 /nfs/dbraw/zinc/01/55/62/1316015562.db2.gz RFMYJJCONWNYLJ-UHFFFAOYSA-N 2 1 341.503 2.809 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014119 1316110404 /nfs/dbraw/zinc/11/04/04/1316110404.db2.gz CJOXUBICOOJFDK-WOJBJXKFSA-N 2 1 336.520 2.933 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199975 1316139355 /nfs/dbraw/zinc/13/93/55/1316139355.db2.gz DIOYOXXKMMVXDL-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199975 1316139358 /nfs/dbraw/zinc/13/93/58/1316139358.db2.gz DIOYOXXKMMVXDL-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199975 1316139359 /nfs/dbraw/zinc/13/93/59/1316139359.db2.gz DIOYOXXKMMVXDL-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240833 1316160367 /nfs/dbraw/zinc/16/03/67/1316160367.db2.gz JTCQODDCOAVITF-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240833 1316160368 /nfs/dbraw/zinc/16/03/68/1316160368.db2.gz JTCQODDCOAVITF-PXNSSMCTSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040240804 1316160783 /nfs/dbraw/zinc/16/07/83/1316160783.db2.gz JPESGKYBVUMSHW-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040240804 1316160784 /nfs/dbraw/zinc/16/07/84/1316160784.db2.gz JPESGKYBVUMSHW-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240804 1316160785 /nfs/dbraw/zinc/16/07/85/1316160785.db2.gz JPESGKYBVUMSHW-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240804 1316160786 /nfs/dbraw/zinc/16/07/86/1316160786.db2.gz JPESGKYBVUMSHW-GOSISDBHSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241633 1316161328 /nfs/dbraw/zinc/16/13/28/1316161328.db2.gz QJHCOOJSTMMDEQ-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241633 1316161329 /nfs/dbraw/zinc/16/13/29/1316161329.db2.gz QJHCOOJSTMMDEQ-XLIONFOSSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241631 1316161500 /nfs/dbraw/zinc/16/15/00/1316161500.db2.gz QJHCOOJSTMMDEQ-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040241631 1316161503 /nfs/dbraw/zinc/16/15/03/1316161503.db2.gz QJHCOOJSTMMDEQ-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264578 1316173777 /nfs/dbraw/zinc/17/37/77/1316173777.db2.gz PQUGKGTVNPTCEV-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264578 1316173778 /nfs/dbraw/zinc/17/37/78/1316173778.db2.gz PQUGKGTVNPTCEV-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264578 1316173780 /nfs/dbraw/zinc/17/37/80/1316173780.db2.gz PQUGKGTVNPTCEV-UYAOXDASSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040276606 1316179565 /nfs/dbraw/zinc/17/95/65/1316179565.db2.gz NXENVYXGZASKRP-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276606 1316179566 /nfs/dbraw/zinc/17/95/66/1316179566.db2.gz NXENVYXGZASKRP-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040276606 1316179568 /nfs/dbraw/zinc/17/95/68/1316179568.db2.gz NXENVYXGZASKRP-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277269 1316180138 /nfs/dbraw/zinc/18/01/38/1316180138.db2.gz ZWQVLTSUNRWORL-FQEVSTJZSA-N 2 1 338.455 2.757 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298742 1316191315 /nfs/dbraw/zinc/19/13/15/1316191315.db2.gz ZIJHNDIWHDOCHH-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327729 1316203953 /nfs/dbraw/zinc/20/39/53/1316203953.db2.gz HNHJMWXBDNHYSZ-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040348879 1316214717 /nfs/dbraw/zinc/21/47/17/1316214717.db2.gz TURXELGRHANBIT-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348879 1316214720 /nfs/dbraw/zinc/21/47/20/1316214720.db2.gz TURXELGRHANBIT-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040348879 1316214722 /nfs/dbraw/zinc/21/47/22/1316214722.db2.gz TURXELGRHANBIT-FPOVZHCZSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040357138 1316219966 /nfs/dbraw/zinc/21/99/66/1316219966.db2.gz NQPNUVSBDKYCFD-HXUWFJFHSA-N 2 1 345.487 2.845 20 30 EFEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433248 1316263529 /nfs/dbraw/zinc/26/35/29/1316263529.db2.gz VCCJJENGBATMEM-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480084 1316287114 /nfs/dbraw/zinc/28/71/14/1316287114.db2.gz RMZJEYBPNYCQJK-NRFANRHFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040494039 1316292945 /nfs/dbraw/zinc/29/29/45/1316292945.db2.gz SYQLKTSQADUYPS-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040494039 1316292948 /nfs/dbraw/zinc/29/29/48/1316292948.db2.gz SYQLKTSQADUYPS-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548067 1316318168 /nfs/dbraw/zinc/31/81/68/1316318168.db2.gz POQUAJBGRVSHQH-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548067 1316318169 /nfs/dbraw/zinc/31/81/69/1316318169.db2.gz POQUAJBGRVSHQH-PZJWPPBQSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548065 1316318197 /nfs/dbraw/zinc/31/81/97/1316318197.db2.gz POQUAJBGRVSHQH-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040548065 1316318200 /nfs/dbraw/zinc/31/82/00/1316318200.db2.gz POQUAJBGRVSHQH-CTNGQTDRSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040702737 1316355139 /nfs/dbraw/zinc/35/51/39/1316355139.db2.gz YIQQLWXQDWMNQD-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707815 1316356070 /nfs/dbraw/zinc/35/60/70/1316356070.db2.gz JNQFYLDZJLCMFW-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707890 1316356630 /nfs/dbraw/zinc/35/66/30/1316356630.db2.gz KSSGXBRJYPPXGC-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109773 1316359244 /nfs/dbraw/zinc/35/92/44/1316359244.db2.gz MNXGODAIPWZLHR-IRXDYDNUSA-N 2 1 345.487 2.727 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040727430 1316361650 /nfs/dbraw/zinc/36/16/50/1316361650.db2.gz QZDLNPPQORVHGR-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040746081 1316365638 /nfs/dbraw/zinc/36/56/38/1316365638.db2.gz VNSVYTPFGSUEKM-RBUKOAKNSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040848255 1316389069 /nfs/dbraw/zinc/38/90/69/1316389069.db2.gz GYIGCGOUYUMQET-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040870844 1316393722 /nfs/dbraw/zinc/39/37/22/1316393722.db2.gz YBVWPOXIUWMSLT-UHFFFAOYSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882557 1316396659 /nfs/dbraw/zinc/39/66/59/1316396659.db2.gz FSIULVUWDZISFK-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276246 1316498913 /nfs/dbraw/zinc/49/89/13/1316498913.db2.gz JOYXWMORCQLZND-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276246 1316498915 /nfs/dbraw/zinc/49/89/15/1316498915.db2.gz JOYXWMORCQLZND-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276246 1316498919 /nfs/dbraw/zinc/49/89/19/1316498919.db2.gz JOYXWMORCQLZND-QUCCMNQESA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286617 1316503547 /nfs/dbraw/zinc/50/35/47/1316503547.db2.gz LSBNBPPBSARMHT-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300938 1316507237 /nfs/dbraw/zinc/50/72/37/1316507237.db2.gz KPYXSROTGAMEJK-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300938 1316507241 /nfs/dbraw/zinc/50/72/41/1316507241.db2.gz KPYXSROTGAMEJK-FXAWDEMLSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301525 1316507265 /nfs/dbraw/zinc/50/72/65/1316507265.db2.gz NGRRYQZMAACWJA-LPHOPBHVSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301525 1316507268 /nfs/dbraw/zinc/50/72/68/1316507268.db2.gz NGRRYQZMAACWJA-LPHOPBHVSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041328262 1316516534 /nfs/dbraw/zinc/51/65/34/1316516534.db2.gz SXSNPSCDAXXTDW-GOSISDBHSA-N 2 1 333.501 2.534 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339706 1316520189 /nfs/dbraw/zinc/52/01/89/1316520189.db2.gz PYKHAIWZMWLZJC-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339706 1316520192 /nfs/dbraw/zinc/52/01/92/1316520192.db2.gz PYKHAIWZMWLZJC-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339706 1316520194 /nfs/dbraw/zinc/52/01/94/1316520194.db2.gz PYKHAIWZMWLZJC-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339706 1316520197 /nfs/dbraw/zinc/52/01/97/1316520197.db2.gz PYKHAIWZMWLZJC-FUHWJXTLSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348668 1316523029 /nfs/dbraw/zinc/52/30/29/1316523029.db2.gz KWUIVBDGWBALHX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348668 1316523031 /nfs/dbraw/zinc/52/30/31/1316523031.db2.gz KWUIVBDGWBALHX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348668 1316523033 /nfs/dbraw/zinc/52/30/33/1316523033.db2.gz KWUIVBDGWBALHX-FPOVZHCZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348676 1316523314 /nfs/dbraw/zinc/52/33/14/1316523314.db2.gz KWUIVBDGWBALHX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348676 1316523315 /nfs/dbraw/zinc/52/33/15/1316523315.db2.gz KWUIVBDGWBALHX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348676 1316523316 /nfs/dbraw/zinc/52/33/16/1316523316.db2.gz KWUIVBDGWBALHX-TZIWHRDSSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358456 1316527167 /nfs/dbraw/zinc/52/71/67/1316527167.db2.gz OKILEMNAPUHEPV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358456 1316527169 /nfs/dbraw/zinc/52/71/69/1316527169.db2.gz OKILEMNAPUHEPV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358456 1316527170 /nfs/dbraw/zinc/52/71/70/1316527170.db2.gz OKILEMNAPUHEPV-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358025 1316527319 /nfs/dbraw/zinc/52/73/19/1316527319.db2.gz KNTXZZPWWCPCMX-ICSRJNTNSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041358025 1316527322 /nfs/dbraw/zinc/52/73/22/1316527322.db2.gz KNTXZZPWWCPCMX-ICSRJNTNSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041358025 1316527326 /nfs/dbraw/zinc/52/73/26/1316527326.db2.gz KNTXZZPWWCPCMX-ICSRJNTNSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432494 1316550241 /nfs/dbraw/zinc/55/02/41/1316550241.db2.gz QJUYVQPGJJPBSF-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432494 1316550244 /nfs/dbraw/zinc/55/02/44/1316550244.db2.gz QJUYVQPGJJPBSF-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432494 1316550246 /nfs/dbraw/zinc/55/02/46/1316550246.db2.gz QJUYVQPGJJPBSF-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433153 1316550683 /nfs/dbraw/zinc/55/06/83/1316550683.db2.gz VRZUZWYXFKSVQZ-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433153 1316550686 /nfs/dbraw/zinc/55/06/86/1316550686.db2.gz VRZUZWYXFKSVQZ-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433153 1316550688 /nfs/dbraw/zinc/55/06/88/1316550688.db2.gz VRZUZWYXFKSVQZ-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440514 1316551686 /nfs/dbraw/zinc/55/16/86/1316551686.db2.gz OHMPJVLORRJKRN-IBGZPJMESA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587815 1316609503 /nfs/dbraw/zinc/60/95/03/1316609503.db2.gz SIOIVEJVJNHVDX-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587815 1316609504 /nfs/dbraw/zinc/60/95/04/1316609504.db2.gz SIOIVEJVJNHVDX-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587815 1316609506 /nfs/dbraw/zinc/60/95/06/1316609506.db2.gz SIOIVEJVJNHVDX-PZJWPPBQSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642081 /nfs/dbraw/zinc/64/20/81/1316642081.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642084 /nfs/dbraw/zinc/64/20/84/1316642084.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642087 /nfs/dbraw/zinc/64/20/87/1316642087.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716279 1316660593 /nfs/dbraw/zinc/66/05/93/1316660593.db2.gz ROPGIHFZRKPSMP-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716279 1316660596 /nfs/dbraw/zinc/66/05/96/1316660596.db2.gz ROPGIHFZRKPSMP-FQEVSTJZSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716090 1316660754 /nfs/dbraw/zinc/66/07/54/1316660754.db2.gz NQIJJMUVUOGLBG-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716090 1316660755 /nfs/dbraw/zinc/66/07/55/1316660755.db2.gz NQIJJMUVUOGLBG-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724850 1316667383 /nfs/dbraw/zinc/66/73/83/1316667383.db2.gz GMMIZMXLTBDBTM-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757215 1316683544 /nfs/dbraw/zinc/68/35/44/1316683544.db2.gz QYTWUTDLDSNSHV-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767698 1316688495 /nfs/dbraw/zinc/68/84/95/1316688495.db2.gz KSKOAIRHWHNCOB-OAQYLSRUSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776936 1316693213 /nfs/dbraw/zinc/69/32/13/1316693213.db2.gz FYTSASWGHIYXPB-OAQYLSRUSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776935 1316693369 /nfs/dbraw/zinc/69/33/69/1316693369.db2.gz FYTSASWGHIYXPB-NRFANRHFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791333 1316701057 /nfs/dbraw/zinc/70/10/57/1316701057.db2.gz JQRWWUBGOKBBBW-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791333 1316701060 /nfs/dbraw/zinc/70/10/60/1316701060.db2.gz JQRWWUBGOKBBBW-HXUWFJFHSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844581 1316730521 /nfs/dbraw/zinc/73/05/21/1316730521.db2.gz LLGQPMZEJCYCAR-NRFANRHFSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845573 1316731917 /nfs/dbraw/zinc/73/19/17/1316731917.db2.gz IRXLTMBXYXDNNB-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845964 1316732131 /nfs/dbraw/zinc/73/21/31/1316732131.db2.gz UJCAUVGEVHIOHU-AZUAARDMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847133 1316732846 /nfs/dbraw/zinc/73/28/46/1316732846.db2.gz JHEYONFZVMXIRV-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847133 1316732849 /nfs/dbraw/zinc/73/28/49/1316732849.db2.gz JHEYONFZVMXIRV-TZIWHRDSSA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228509 1316760032 /nfs/dbraw/zinc/76/00/32/1316760032.db2.gz DLXZXADORUNDMS-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001265228509 1316760035 /nfs/dbraw/zinc/76/00/35/1316760035.db2.gz DLXZXADORUNDMS-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001265675347 1316851480 /nfs/dbraw/zinc/85/14/80/1316851480.db2.gz GLRZGGIKSBUCOE-HOTGVXAUSA-N 2 1 348.491 2.675 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062889 1316852784 /nfs/dbraw/zinc/85/27/84/1316852784.db2.gz PCJJOGMYQNGHTN-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062761 1316852940 /nfs/dbraw/zinc/85/29/40/1316852940.db2.gz OPPSJOKOMUDXAF-ROUUACIJSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114837 1316887967 /nfs/dbraw/zinc/88/79/67/1316887967.db2.gz OZOMROIZRYMPGX-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121050 1316893086 /nfs/dbraw/zinc/89/30/86/1316893086.db2.gz DFSBGTUGQYWZIU-APWZRJJASA-N 2 1 338.455 2.755 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894188 /nfs/dbraw/zinc/89/41/88/1316894188.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894191 /nfs/dbraw/zinc/89/41/91/1316894191.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894193 /nfs/dbraw/zinc/89/41/93/1316894193.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896978 /nfs/dbraw/zinc/89/69/78/1316896978.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896981 /nfs/dbraw/zinc/89/69/81/1316896981.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896985 /nfs/dbraw/zinc/89/69/85/1316896985.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136373 1316903085 /nfs/dbraw/zinc/90/30/85/1316903085.db2.gz UIXRRATUGDKPRV-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186185 1316939918 /nfs/dbraw/zinc/93/99/18/1316939918.db2.gz DRYMYKSFZBRYNY-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252173 1317033459 /nfs/dbraw/zinc/03/34/59/1317033459.db2.gz IJBSNQQIJKOFSK-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252173 1317033468 /nfs/dbraw/zinc/03/34/68/1317033468.db2.gz IJBSNQQIJKOFSK-MSOLQXFVSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252739 1317037006 /nfs/dbraw/zinc/03/70/06/1317037006.db2.gz ADLFMLNAJSZMSC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252739 1317037014 /nfs/dbraw/zinc/03/70/14/1317037014.db2.gz ADLFMLNAJSZMSC-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254083 1317037934 /nfs/dbraw/zinc/03/79/34/1317037934.db2.gz ZJWBBILLASKHJU-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254083 1317037942 /nfs/dbraw/zinc/03/79/42/1317037942.db2.gz ZJWBBILLASKHJU-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042257047 1317044615 /nfs/dbraw/zinc/04/46/15/1317044615.db2.gz CPNNVCDPZOMHAD-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042257047 1317044625 /nfs/dbraw/zinc/04/46/25/1317044625.db2.gz CPNNVCDPZOMHAD-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296880 1317108461 /nfs/dbraw/zinc/10/84/61/1317108461.db2.gz IDIAHWQXTHDOGB-HKUYNNGSSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042363985 1317216947 /nfs/dbraw/zinc/21/69/47/1317216947.db2.gz BBLYKUCOBPVDMC-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368125 1317223183 /nfs/dbraw/zinc/22/31/83/1317223183.db2.gz ODHCINKOBPYDJU-PXNSSMCTSA-N 2 1 341.499 2.861 20 30 EFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(N)c2)cc1C#N ZINC001279700315 1317366170 /nfs/dbraw/zinc/36/61/70/1317366170.db2.gz ZDXYRQBQGGZTQF-IHWFROFDSA-N 2 1 349.482 2.764 20 30 EFEDMP C#CCOc1ccc(C(=O)Nc2cnccc2-n2ccnc2C)cc1 ZINC001318814592 1328708946 /nfs/dbraw/zinc/70/89/46/1328708946.db2.gz BTYBUPUWGZZRPJ-UHFFFAOYSA-N 2 1 332.363 2.840 20 30 EFEDMP N#Cc1cccnc1NCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001322090048 1329427869 /nfs/dbraw/zinc/42/78/69/1329427869.db2.gz SMYHMYGIBYFOCI-UHFFFAOYSA-N 2 1 335.455 2.619 20 30 EFEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325086209 1329669847 /nfs/dbraw/zinc/66/98/47/1329669847.db2.gz QMBHKTJVJSUUBP-PXNSSMCTSA-N 2 1 347.478 2.648 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001326713705 1330352470 /nfs/dbraw/zinc/35/24/70/1330352470.db2.gz KRBUHONOPFXKCO-DLBZAZTESA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001340881820 1332217249 /nfs/dbraw/zinc/21/72/49/1332217249.db2.gz TXSIRNWGPMBVGJ-ZOBUZTSGSA-N 2 1 335.517 2.931 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616451 1332271493 /nfs/dbraw/zinc/27/14/93/1332271493.db2.gz YTTUIMMSEKGXRG-WDSOQIARSA-N 2 1 329.488 2.697 20 30 EFEDMP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343927007 1332391763 /nfs/dbraw/zinc/39/17/63/1332391763.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 1 346.523 2.541 20 30 EFEDMP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001343927007 1332391766 /nfs/dbraw/zinc/39/17/66/1332391766.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 1 346.523 2.541 20 30 EFEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972229 1332891079 /nfs/dbraw/zinc/89/10/79/1332891079.db2.gz IAIIUQDJIRUWKI-GOSISDBHSA-N 2 1 342.487 2.844 20 30 EFEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577881 1334138877 /nfs/dbraw/zinc/13/88/77/1334138877.db2.gz IVGMMLNSZSLOAT-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570790 1335317028 /nfs/dbraw/zinc/31/70/28/1335317028.db2.gz OZFKADNGEMVWAX-WDSOQIARSA-N 2 1 329.488 2.697 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001368161202 1339227607 /nfs/dbraw/zinc/22/76/07/1339227607.db2.gz IOCKZYPAOWDEBA-SFHVURJKSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001368161202 1339227609 /nfs/dbraw/zinc/22/76/09/1339227609.db2.gz IOCKZYPAOWDEBA-SFHVURJKSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001368161202 1339227612 /nfs/dbraw/zinc/22/76/12/1339227612.db2.gz IOCKZYPAOWDEBA-SFHVURJKSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001368161202 1339227614 /nfs/dbraw/zinc/22/76/14/1339227614.db2.gz IOCKZYPAOWDEBA-SFHVURJKSA-N 2 1 341.927 2.974 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370309067 1340026097 /nfs/dbraw/zinc/02/60/97/1340026097.db2.gz DHCXGVAAODNLPF-QGZVFWFLSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375174549 1342490281 /nfs/dbraw/zinc/49/02/81/1342490281.db2.gz FVFTYYPHCMTLML-HOTGVXAUSA-N 2 1 343.943 2.981 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001376530248 1343655139 /nfs/dbraw/zinc/65/51/39/1343655139.db2.gz JOZUVRMMISFQSJ-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001376530248 1343655140 /nfs/dbraw/zinc/65/51/40/1343655140.db2.gz JOZUVRMMISFQSJ-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001378914397 1345419541 /nfs/dbraw/zinc/41/95/41/1345419541.db2.gz IVODKSGATRKEEN-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001379155347 1345631318 /nfs/dbraw/zinc/63/13/18/1345631318.db2.gz VJTQODZLLDEVNM-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379167885 1345638392 /nfs/dbraw/zinc/63/83/92/1345638392.db2.gz KFPWMFQOEVYMAW-CABCVRRESA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001379181946 1345645967 /nfs/dbraw/zinc/64/59/67/1345645967.db2.gz VPWZGFKGRCLTFM-LSDHHAIUSA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001393887079 1357255454 /nfs/dbraw/zinc/25/54/54/1357255454.db2.gz SUQPXGSVQRHSEJ-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001393887079 1357255456 /nfs/dbraw/zinc/25/54/56/1357255456.db2.gz SUQPXGSVQRHSEJ-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001393887079 1357255460 /nfs/dbraw/zinc/25/54/60/1357255460.db2.gz SUQPXGSVQRHSEJ-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001393887079 1357255465 /nfs/dbraw/zinc/25/54/65/1357255465.db2.gz SUQPXGSVQRHSEJ-HNNXBMFYSA-N 2 1 329.916 2.640 20 30 EFEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001391359467 1355123446 /nfs/dbraw/zinc/12/34/46/1355123446.db2.gz JFCATFFRULLYJT-UHFFFAOYSA-N 2 1 341.927 2.641 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@H]1C ZINC001391808385 1355551172 /nfs/dbraw/zinc/55/11/72/1355551172.db2.gz LFITXYCIFCKUTI-RHSMWYFYSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402221963 1363541882 /nfs/dbraw/zinc/54/18/82/1363541882.db2.gz HXHQJTFJDJNEGX-SFHVURJKSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402221963 1363541885 /nfs/dbraw/zinc/54/18/85/1363541885.db2.gz HXHQJTFJDJNEGX-SFHVURJKSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001397164433 1359716940 /nfs/dbraw/zinc/71/69/40/1359716940.db2.gz AAAXFXRVRIVBID-INIZCTEOSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001402031708 1363343326 /nfs/dbraw/zinc/34/33/26/1363343326.db2.gz MEJVSPGOOISTQK-HOCLYGCPSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001402766451 1364016005 /nfs/dbraw/zinc/01/60/05/1364016005.db2.gz KAZYIZGOUCNWFT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001402766451 1364016009 /nfs/dbraw/zinc/01/60/09/1364016009.db2.gz KAZYIZGOUCNWFT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766451 1364016011 /nfs/dbraw/zinc/01/60/11/1364016011.db2.gz KAZYIZGOUCNWFT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001402766451 1364016015 /nfs/dbraw/zinc/01/60/15/1364016015.db2.gz KAZYIZGOUCNWFT-IRXDYDNUSA-N 2 1 341.927 2.926 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001419422411 1375254553 /nfs/dbraw/zinc/25/45/53/1375254553.db2.gz HRZGLCFJPAWQSV-ULQDDVLXSA-N 2 1 335.879 2.669 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001420881716 1377829175 /nfs/dbraw/zinc/82/91/75/1377829175.db2.gz ZCTXLCVCBSDWMX-HNNXBMFYSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001420881716 1377829179 /nfs/dbraw/zinc/82/91/79/1377829179.db2.gz ZCTXLCVCBSDWMX-HNNXBMFYSA-N 2 1 338.883 2.587 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001421286938 1378435083 /nfs/dbraw/zinc/43/50/83/1378435083.db2.gz SQGNXBMCIBNMFY-GOSISDBHSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001421286938 1378435085 /nfs/dbraw/zinc/43/50/85/1378435085.db2.gz SQGNXBMCIBNMFY-GOSISDBHSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001421286938 1378435090 /nfs/dbraw/zinc/43/50/90/1378435090.db2.gz SQGNXBMCIBNMFY-GOSISDBHSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001421286938 1378435091 /nfs/dbraw/zinc/43/50/91/1378435091.db2.gz SQGNXBMCIBNMFY-GOSISDBHSA-N 2 1 343.943 2.935 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125098 1379647731 /nfs/dbraw/zinc/64/77/31/1379647731.db2.gz JUTKHSDVAHMFDM-GJZGRUSLSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125098 1379647735 /nfs/dbraw/zinc/64/77/35/1379647735.db2.gz JUTKHSDVAHMFDM-GJZGRUSLSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125098 1379647740 /nfs/dbraw/zinc/64/77/40/1379647740.db2.gz JUTKHSDVAHMFDM-GJZGRUSLSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001422125098 1379647745 /nfs/dbraw/zinc/64/77/45/1379647745.db2.gz JUTKHSDVAHMFDM-GJZGRUSLSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001438614032 1388700264 /nfs/dbraw/zinc/70/02/64/1388700264.db2.gz VZFBRTMCYQDKNS-UHFFFAOYSA-N 2 1 349.906 2.890 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001422996267 1381179263 /nfs/dbraw/zinc/17/92/63/1381179263.db2.gz HHHGAFLOSDMULY-HNNXBMFYSA-N 2 1 329.916 2.543 20 30 EFEDMP CC[NH+]1CCC(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001423050153 1381270854 /nfs/dbraw/zinc/27/08/54/1381270854.db2.gz OBWGLIIICMMFSU-UHFFFAOYSA-N 2 1 340.515 2.798 20 30 EFEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001424194451 1382848807 /nfs/dbraw/zinc/84/88/07/1382848807.db2.gz AKAHYCDRMLUIRT-OAHLLOKOSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480083699 1398119057 /nfs/dbraw/zinc/11/90/57/1398119057.db2.gz GYYSFTDUDJESPK-INIZCTEOSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480083699 1398119061 /nfs/dbraw/zinc/11/90/61/1398119061.db2.gz GYYSFTDUDJESPK-INIZCTEOSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480083699 1398119063 /nfs/dbraw/zinc/11/90/63/1398119063.db2.gz GYYSFTDUDJESPK-INIZCTEOSA-N 2 1 343.943 2.887 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494718406 1399442000 /nfs/dbraw/zinc/44/20/00/1399442000.db2.gz JNUBVOWNAJOEMJ-HKUYNNGSSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001501092420 1403437216 /nfs/dbraw/zinc/43/72/16/1403437216.db2.gz UAMRZGFYZDBSPZ-FUHWJXTLSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001501092420 1403437218 /nfs/dbraw/zinc/43/72/18/1403437218.db2.gz UAMRZGFYZDBSPZ-FUHWJXTLSA-N 2 1 349.906 2.698 20 30 EFEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505819941 1405107265 /nfs/dbraw/zinc/10/72/65/1405107265.db2.gz DKCBEFAVAROYBT-INIZCTEOSA-N 2 1 343.943 2.934 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672271 1415725035 /nfs/dbraw/zinc/72/50/35/1415725035.db2.gz OPOYJLVQZQBGFB-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001566672271 1415725036 /nfs/dbraw/zinc/72/50/36/1415725036.db2.gz OPOYJLVQZQBGFB-ROUUACIJSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118633 712913284 /nfs/dbraw/zinc/91/32/84/712913284.db2.gz VMOMPLYOPUTHFJ-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118633 712913286 /nfs/dbraw/zinc/91/32/86/712913286.db2.gz VMOMPLYOPUTHFJ-MRXNPFEDSA-N 2 1 330.476 2.698 20 30 EFEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679598 713214356 /nfs/dbraw/zinc/21/43/56/713214356.db2.gz HAJHYDBRRAJEIF-IRXDYDNUSA-N 2 1 333.520 2.654 20 30 EFEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCCC3)c2)CCO1 ZINC000305095590 713224973 /nfs/dbraw/zinc/22/49/73/713224973.db2.gz ZSROQIZMXSWOFQ-KRWDZBQOSA-N 2 1 344.503 2.598 20 30 EFEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCCC3)c2)CCO1 ZINC000305095590 713224975 /nfs/dbraw/zinc/22/49/75/713224975.db2.gz ZSROQIZMXSWOFQ-KRWDZBQOSA-N 2 1 344.503 2.598 20 30 EFEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325999 713636139 /nfs/dbraw/zinc/63/61/39/713636139.db2.gz LWQXDMSEVXYMOU-QFBILLFUSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173505 713703574 /nfs/dbraw/zinc/70/35/74/713703574.db2.gz XZQAGAVNIPWCAW-LJQANCHMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000980224520 717924482 /nfs/dbraw/zinc/92/44/82/717924482.db2.gz ZYQCWJFLUPLOEB-SLFFLAALSA-N 2 1 345.531 2.511 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604039 714164836 /nfs/dbraw/zinc/16/48/36/714164836.db2.gz AFJSPBKQYANXCF-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620431 714188649 /nfs/dbraw/zinc/18/86/49/714188649.db2.gz UGXITPMUOMGGJH-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569501 717960958 /nfs/dbraw/zinc/96/09/58/717960958.db2.gz CSJPIXPZMQENCA-LJQANCHMSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666119 714264961 /nfs/dbraw/zinc/26/49/61/714264961.db2.gz PHTDXKLMDSIFSX-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021669942 714271740 /nfs/dbraw/zinc/27/17/40/714271740.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669942 714271742 /nfs/dbraw/zinc/27/17/42/714271742.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669942 714271744 /nfs/dbraw/zinc/27/17/44/714271744.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671917 714275540 /nfs/dbraw/zinc/27/55/40/714275540.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671917 714275541 /nfs/dbraw/zinc/27/55/41/714275541.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671917 714275542 /nfs/dbraw/zinc/27/55/42/714275542.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681755 714295605 /nfs/dbraw/zinc/29/56/05/714295605.db2.gz JFZIPWQYLMOIBQ-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681755 714295606 /nfs/dbraw/zinc/29/56/06/714295606.db2.gz JFZIPWQYLMOIBQ-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682827 714296636 /nfs/dbraw/zinc/29/66/36/714296636.db2.gz URXYZNAMCZRJNF-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682827 714296638 /nfs/dbraw/zinc/29/66/38/714296638.db2.gz URXYZNAMCZRJNF-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683281 714297518 /nfs/dbraw/zinc/29/75/18/714297518.db2.gz XLRCPPUAUUNRSM-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711379 714349372 /nfs/dbraw/zinc/34/93/72/714349372.db2.gz VYCBWRCWPSGDHE-UXHICEINSA-N 2 1 345.531 2.607 20 30 EFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160723317 714450447 /nfs/dbraw/zinc/45/04/47/714450447.db2.gz UHPSTQZWCXDQKN-NSHDSACASA-N 2 1 330.354 2.654 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542125 714701130 /nfs/dbraw/zinc/70/11/30/714701130.db2.gz ZIZVAJMEYFGGJP-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542125 714701133 /nfs/dbraw/zinc/70/11/33/714701133.db2.gz ZIZVAJMEYFGGJP-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542125 714701135 /nfs/dbraw/zinc/70/11/35/714701135.db2.gz ZIZVAJMEYFGGJP-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618107 718030690 /nfs/dbraw/zinc/03/06/90/718030690.db2.gz QGTOWGOABFZZJS-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618107 718030694 /nfs/dbraw/zinc/03/06/94/718030694.db2.gz QGTOWGOABFZZJS-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618107 718030700 /nfs/dbraw/zinc/03/07/00/718030700.db2.gz QGTOWGOABFZZJS-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618113 718031029 /nfs/dbraw/zinc/03/10/29/718031029.db2.gz QGTOWGOABFZZJS-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618113 718031032 /nfs/dbraw/zinc/03/10/32/718031032.db2.gz QGTOWGOABFZZJS-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618113 718031036 /nfs/dbraw/zinc/03/10/36/718031036.db2.gz QGTOWGOABFZZJS-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000104162890 715254467 /nfs/dbraw/zinc/25/44/67/715254467.db2.gz KCMMGQPWDLXWBR-KRWDZBQOSA-N 2 1 346.519 2.749 20 30 EFEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369809 /nfs/dbraw/zinc/36/98/09/715369809.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369814 /nfs/dbraw/zinc/36/98/14/715369814.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369818 /nfs/dbraw/zinc/36/98/18/715369818.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 2 1 345.531 2.633 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974947242 715370152 /nfs/dbraw/zinc/37/01/52/715370152.db2.gz NXWUDZYNEBJIQT-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947242 715370157 /nfs/dbraw/zinc/37/01/57/715370157.db2.gz NXWUDZYNEBJIQT-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974947242 715370161 /nfs/dbraw/zinc/37/01/61/715370161.db2.gz NXWUDZYNEBJIQT-ROUUACIJSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158013 715451068 /nfs/dbraw/zinc/45/10/68/715451068.db2.gz JJCKBOKHAYFXFT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972158013 715451074 /nfs/dbraw/zinc/45/10/74/715451074.db2.gz JJCKBOKHAYFXFT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972158013 715451078 /nfs/dbraw/zinc/45/10/78/715451078.db2.gz JJCKBOKHAYFXFT-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029457 715453870 /nfs/dbraw/zinc/45/38/70/715453870.db2.gz BIPPUMBLSMGKGX-BEFAXECRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029457 715453872 /nfs/dbraw/zinc/45/38/72/715453872.db2.gz BIPPUMBLSMGKGX-BEFAXECRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029457 715453874 /nfs/dbraw/zinc/45/38/74/715453874.db2.gz BIPPUMBLSMGKGX-BEFAXECRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000985458603 724409610 /nfs/dbraw/zinc/40/96/10/724409610.db2.gz FAPKORPIGQHPEF-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000985458603 724409611 /nfs/dbraw/zinc/40/96/11/724409611.db2.gz FAPKORPIGQHPEF-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000985458603 724409612 /nfs/dbraw/zinc/40/96/12/724409612.db2.gz FAPKORPIGQHPEF-INIZCTEOSA-N 2 1 327.900 2.536 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712244 724417481 /nfs/dbraw/zinc/41/74/81/724417481.db2.gz PVEBGLDNSUJEFG-OAHLLOKOSA-N 2 1 342.409 2.637 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027417383 715739373 /nfs/dbraw/zinc/73/93/73/715739373.db2.gz XEUPYABQMNLCTL-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027417383 715739380 /nfs/dbraw/zinc/73/93/80/715739380.db2.gz XEUPYABQMNLCTL-DLBZAZTESA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027444480 715820471 /nfs/dbraw/zinc/82/04/71/715820471.db2.gz RTXSYZQKKCGLGD-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444480 715820475 /nfs/dbraw/zinc/82/04/75/715820475.db2.gz RTXSYZQKKCGLGD-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444480 715820478 /nfs/dbraw/zinc/82/04/78/715820478.db2.gz RTXSYZQKKCGLGD-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444480 715820482 /nfs/dbraw/zinc/82/04/82/715820482.db2.gz RTXSYZQKKCGLGD-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470144 724442783 /nfs/dbraw/zinc/44/27/83/724442783.db2.gz LZALHTWIELAMLR-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470144 724442785 /nfs/dbraw/zinc/44/27/85/724442785.db2.gz LZALHTWIELAMLR-KRWDZBQOSA-N 2 1 341.927 2.925 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977333281 716109434 /nfs/dbraw/zinc/10/94/34/716109434.db2.gz JRKDMKWSCFYPJL-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000103338103 716157662 /nfs/dbraw/zinc/15/76/62/716157662.db2.gz WLVOQBZLRLREMU-HNNXBMFYSA-N 2 1 346.500 2.918 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542041 716374138 /nfs/dbraw/zinc/37/41/38/716374138.db2.gz HEIKEYNAKCUHGO-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542041 716374141 /nfs/dbraw/zinc/37/41/41/716374141.db2.gz HEIKEYNAKCUHGO-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542041 716374151 /nfs/dbraw/zinc/37/41/51/716374151.db2.gz HEIKEYNAKCUHGO-MOPGFXCFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369903 716389220 /nfs/dbraw/zinc/38/92/20/716389220.db2.gz ICTJOIXYDNZUIE-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369903 716389222 /nfs/dbraw/zinc/38/92/22/716389222.db2.gz ICTJOIXYDNZUIE-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369903 716389225 /nfs/dbraw/zinc/38/92/25/716389225.db2.gz ICTJOIXYDNZUIE-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410882 716430347 /nfs/dbraw/zinc/43/03/47/716430347.db2.gz XAHJNXCEPRHXGF-IAGOWNOFSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410882 716430349 /nfs/dbraw/zinc/43/03/49/716430349.db2.gz XAHJNXCEPRHXGF-IAGOWNOFSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410882 716430354 /nfs/dbraw/zinc/43/03/54/716430354.db2.gz XAHJNXCEPRHXGF-IAGOWNOFSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410882 716430359 /nfs/dbraw/zinc/43/03/59/716430359.db2.gz XAHJNXCEPRHXGF-IAGOWNOFSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410882 716430362 /nfs/dbraw/zinc/43/03/62/716430362.db2.gz XAHJNXCEPRHXGF-IAGOWNOFSA-N 2 1 341.927 2.545 20 30 EFEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977658768 716450314 /nfs/dbraw/zinc/45/03/14/716450314.db2.gz JAKZAKVYAGODCE-SFHVURJKSA-N 2 1 345.487 2.585 20 30 EFEDMP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977658768 716450318 /nfs/dbraw/zinc/45/03/18/716450318.db2.gz JAKZAKVYAGODCE-SFHVURJKSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662639 716458567 /nfs/dbraw/zinc/45/85/67/716458567.db2.gz PVMXIIHMGKTQAH-KRWDZBQOSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456874 716492561 /nfs/dbraw/zinc/49/25/61/716492561.db2.gz BCBSERXKYFOTOP-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456874 716492564 /nfs/dbraw/zinc/49/25/64/716492564.db2.gz BCBSERXKYFOTOP-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456874 716492566 /nfs/dbraw/zinc/49/25/66/716492566.db2.gz BCBSERXKYFOTOP-MOPGFXCFSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469793 716507315 /nfs/dbraw/zinc/50/73/15/716507315.db2.gz NWPYLNZCFLBSHS-INIZCTEOSA-N 2 1 326.444 2.742 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694575 716549876 /nfs/dbraw/zinc/54/98/76/716549876.db2.gz CUQTWIJYVLWIDT-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699990 716567676 /nfs/dbraw/zinc/56/76/76/716567676.db2.gz OOXIVACFJWQQKU-MRXNPFEDSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550369 716610985 /nfs/dbraw/zinc/61/09/85/716610985.db2.gz ZSTWFMJZESNJML-RBUKOAKNSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550369 716610988 /nfs/dbraw/zinc/61/09/88/716610988.db2.gz ZSTWFMJZESNJML-RBUKOAKNSA-N 2 1 335.536 2.903 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550369 716610991 /nfs/dbraw/zinc/61/09/91/716610991.db2.gz ZSTWFMJZESNJML-RBUKOAKNSA-N 2 1 335.536 2.903 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553259 716618149 /nfs/dbraw/zinc/61/81/49/716618149.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553259 716618153 /nfs/dbraw/zinc/61/81/53/716618153.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553259 716618155 /nfs/dbraw/zinc/61/81/55/716618155.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557549 716618971 /nfs/dbraw/zinc/61/89/71/716618971.db2.gz ZNXJRTPZHKXGSV-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557549 716618974 /nfs/dbraw/zinc/61/89/74/716618974.db2.gz ZNXJRTPZHKXGSV-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557549 716618977 /nfs/dbraw/zinc/61/89/77/716618977.db2.gz ZNXJRTPZHKXGSV-ZWKOTPCHSA-N 2 1 344.503 2.548 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678179 716805939 /nfs/dbraw/zinc/80/59/39/716805939.db2.gz QSAZGAHKOVIJCU-GOSISDBHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC001027601658 716916308 /nfs/dbraw/zinc/91/63/08/716916308.db2.gz GCQZIMUZVKELCJ-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027601658 716916312 /nfs/dbraw/zinc/91/63/12/716916312.db2.gz GCQZIMUZVKELCJ-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027601658 716916315 /nfs/dbraw/zinc/91/63/15/716916315.db2.gz GCQZIMUZVKELCJ-KRWDZBQOSA-N 2 1 332.492 2.896 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761512 716974635 /nfs/dbraw/zinc/97/46/35/716974635.db2.gz BNWPNGXIEUBZIQ-SFHVURJKSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930353 717244784 /nfs/dbraw/zinc/24/47/84/717244784.db2.gz OAMRNNZNSVQWLI-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930353 717244788 /nfs/dbraw/zinc/24/47/88/717244788.db2.gz OAMRNNZNSVQWLI-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930353 717244792 /nfs/dbraw/zinc/24/47/92/717244792.db2.gz OAMRNNZNSVQWLI-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027944135 717378947 /nfs/dbraw/zinc/37/89/47/717378947.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522925 717390739 /nfs/dbraw/zinc/39/07/39/717390739.db2.gz CXGPVJRUZHMXKX-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479262 717792702 /nfs/dbraw/zinc/79/27/02/717792702.db2.gz CYWRXNVATNRMHB-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479262 717792706 /nfs/dbraw/zinc/79/27/06/717792706.db2.gz CYWRXNVATNRMHB-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479262 717792709 /nfs/dbraw/zinc/79/27/09/717792709.db2.gz CYWRXNVATNRMHB-OALUTQOASA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479307 717793413 /nfs/dbraw/zinc/79/34/13/717793413.db2.gz FDRCTOHQQHJMSE-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479307 717793415 /nfs/dbraw/zinc/79/34/15/717793415.db2.gz FDRCTOHQQHJMSE-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479307 717793417 /nfs/dbraw/zinc/79/34/17/717793417.db2.gz FDRCTOHQQHJMSE-MOPGFXCFSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479940 717805869 /nfs/dbraw/zinc/80/58/69/717805869.db2.gz UKNHQFFGNBSNAH-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479940 717805871 /nfs/dbraw/zinc/80/58/71/717805871.db2.gz UKNHQFFGNBSNAH-IAGOWNOFSA-N 2 1 330.476 2.697 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024486833 717810346 /nfs/dbraw/zinc/81/03/46/717810346.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024487142 717810846 /nfs/dbraw/zinc/81/08/46/717810846.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885585 717832419 /nfs/dbraw/zinc/83/24/19/717832419.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885585 717832424 /nfs/dbraw/zinc/83/24/24/717832424.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885585 717832428 /nfs/dbraw/zinc/83/24/28/717832428.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168372 717836180 /nfs/dbraw/zinc/83/61/80/717836180.db2.gz NKLLNIVNXKSGAB-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168372 717836186 /nfs/dbraw/zinc/83/61/86/717836186.db2.gz NKLLNIVNXKSGAB-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168372 717836191 /nfs/dbraw/zinc/83/61/91/717836191.db2.gz NKLLNIVNXKSGAB-RCCFBDPRSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722908 717884399 /nfs/dbraw/zinc/88/43/99/717884399.db2.gz NBPHYXCLWYVNGW-VQIMIIECSA-N 2 1 329.488 2.559 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024752173 718138126 /nfs/dbraw/zinc/13/81/26/718138126.db2.gz QGHPZPYYEYVFKF-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024752173 718138128 /nfs/dbraw/zinc/13/81/28/718138128.db2.gz QGHPZPYYEYVFKF-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024752173 718138130 /nfs/dbraw/zinc/13/81/30/718138130.db2.gz QGHPZPYYEYVFKF-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024752173 718138133 /nfs/dbraw/zinc/13/81/33/718138133.db2.gz QGHPZPYYEYVFKF-RTBURBONSA-N 2 1 333.520 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169114 718163101 /nfs/dbraw/zinc/16/31/01/718163101.db2.gz OTFZOJVDLZMNFT-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169114 718163105 /nfs/dbraw/zinc/16/31/05/718163105.db2.gz OTFZOJVDLZMNFT-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169114 718163110 /nfs/dbraw/zinc/16/31/10/718163110.db2.gz OTFZOJVDLZMNFT-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810899 718175042 /nfs/dbraw/zinc/17/50/42/718175042.db2.gz LCRFWGPARPIANH-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000180814925 718377407 /nfs/dbraw/zinc/37/74/07/718377407.db2.gz JHGOVGMRGASUFS-HYVNUMGLSA-N 2 1 331.460 2.948 20 30 EFEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000180814925 718377409 /nfs/dbraw/zinc/37/74/09/718377409.db2.gz JHGOVGMRGASUFS-HYVNUMGLSA-N 2 1 331.460 2.948 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250268 718470505 /nfs/dbraw/zinc/47/05/05/718470505.db2.gz AKRLDELZTYMJSH-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250268 718470506 /nfs/dbraw/zinc/47/05/06/718470506.db2.gz AKRLDELZTYMJSH-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258219 718474184 /nfs/dbraw/zinc/47/41/84/718474184.db2.gz DPQGGTPWXQRHRJ-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253549 718479378 /nfs/dbraw/zinc/47/93/78/718479378.db2.gz WABYMQVSFIUSMD-ROUUACIJSA-N 2 1 344.503 2.774 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266077 718486999 /nfs/dbraw/zinc/48/69/99/718486999.db2.gz IYRWOIUDXIOLPK-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266077 718487004 /nfs/dbraw/zinc/48/70/04/718487004.db2.gz IYRWOIUDXIOLPK-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266077 718487006 /nfs/dbraw/zinc/48/70/06/718487006.db2.gz IYRWOIUDXIOLPK-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260708 718488595 /nfs/dbraw/zinc/48/85/95/718488595.db2.gz YWJBBGAZVWISGM-MOPGFXCFSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275237 718513488 /nfs/dbraw/zinc/51/34/88/718513488.db2.gz VAQMERSIKLTECL-RTBURBONSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289361 718527980 /nfs/dbraw/zinc/52/79/80/718527980.db2.gz ZHBZGZKEJZCNDK-UXHICEINSA-N 2 1 345.531 2.586 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293357 718534505 /nfs/dbraw/zinc/53/45/05/718534505.db2.gz CFXIHRFQLPAYOC-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293357 718534509 /nfs/dbraw/zinc/53/45/09/718534509.db2.gz CFXIHRFQLPAYOC-ZWKOTPCHSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301852 718540324 /nfs/dbraw/zinc/54/03/24/718540324.db2.gz QGIUDYVGJCLVDE-PMACEKPBSA-N 2 1 345.531 2.731 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025297186 718544067 /nfs/dbraw/zinc/54/40/67/718544067.db2.gz XTTDNOPUEKTSEZ-RTBURBONSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000981270749 718582830 /nfs/dbraw/zinc/58/28/30/718582830.db2.gz MKCSXPAJHVYBQY-UHFFFAOYSA-N 2 1 335.517 2.924 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981270749 718582837 /nfs/dbraw/zinc/58/28/37/718582837.db2.gz MKCSXPAJHVYBQY-UHFFFAOYSA-N 2 1 335.517 2.924 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766851 719014928 /nfs/dbraw/zinc/01/49/28/719014928.db2.gz ARQLHWUZGCQPEF-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981766851 719014931 /nfs/dbraw/zinc/01/49/31/719014931.db2.gz ARQLHWUZGCQPEF-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981766851 719014937 /nfs/dbraw/zinc/01/49/37/719014937.db2.gz ARQLHWUZGCQPEF-MOPGFXCFSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029921200 724554551 /nfs/dbraw/zinc/55/45/51/724554551.db2.gz SIEALBJNMRUTBD-PMACEKPBSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029921200 724554553 /nfs/dbraw/zinc/55/45/53/724554553.db2.gz SIEALBJNMRUTBD-PMACEKPBSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029921200 724554555 /nfs/dbraw/zinc/55/45/55/724554555.db2.gz SIEALBJNMRUTBD-PMACEKPBSA-N 2 1 341.499 2.617 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516285 719052939 /nfs/dbraw/zinc/05/29/39/719052939.db2.gz RCHYWTKQHSOEQE-JKSUJKDBSA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801643 719055770 /nfs/dbraw/zinc/05/57/70/719055770.db2.gz VSGRLYLDIQHXRH-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801643 719055773 /nfs/dbraw/zinc/05/57/73/719055773.db2.gz VSGRLYLDIQHXRH-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801643 719055776 /nfs/dbraw/zinc/05/57/76/719055776.db2.gz VSGRLYLDIQHXRH-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137958 719115331 /nfs/dbraw/zinc/11/53/31/719115331.db2.gz QGINWTSWSQVJCP-IBGZPJMESA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138604 719118175 /nfs/dbraw/zinc/11/81/75/719118175.db2.gz ZLTYEFBLLFIIIA-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558335 719125065 /nfs/dbraw/zinc/12/50/65/719125065.db2.gz MIWOMPGDENZIJO-XLIONFOSSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583674 719164880 /nfs/dbraw/zinc/16/48/80/719164880.db2.gz AXXYSWZQKQDBBC-MJGOQNOKSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590768 719176500 /nfs/dbraw/zinc/17/65/00/719176500.db2.gz RJIZKPOQINORRR-PXNSSMCTSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982050321 719504054 /nfs/dbraw/zinc/50/40/54/719504054.db2.gz FJTUMQVNNNJQFG-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982050321 719504056 /nfs/dbraw/zinc/50/40/56/719504056.db2.gz FJTUMQVNNNJQFG-UHFFFAOYSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052559 719507390 /nfs/dbraw/zinc/50/73/90/719507390.db2.gz PSPZXFQEQKHYTO-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162294 719606964 /nfs/dbraw/zinc/60/69/64/719606964.db2.gz MMUQQZODQDVNEU-UHFFFAOYSA-N 2 1 333.520 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982220999 719679475 /nfs/dbraw/zinc/67/94/75/719679475.db2.gz GTLWHLGMAPJMRA-UHFFFAOYSA-N 2 1 329.488 2.862 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292489 719822757 /nfs/dbraw/zinc/82/27/57/719822757.db2.gz LTEOXFNFOJDHOG-YSIASYRMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845461 /nfs/dbraw/zinc/84/54/61/719845461.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845467 /nfs/dbraw/zinc/84/54/67/719845467.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845472 /nfs/dbraw/zinc/84/54/72/719845472.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400258 720011628 /nfs/dbraw/zinc/01/16/28/720011628.db2.gz GYUBVOFAFITWNR-SESVDKBCSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]12 ZINC001026298828 720179876 /nfs/dbraw/zinc/17/98/76/720179876.db2.gz QKHIUMJUWUNYEB-KBAYOESNSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]12 ZINC001026298818 720179884 /nfs/dbraw/zinc/17/98/84/720179884.db2.gz QKHIUMJUWUNYEB-BPQIPLTHSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547364 720731016 /nfs/dbraw/zinc/73/10/16/720731016.db2.gz DCKFVESCPQPRTQ-FAFZWHIHSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985606030 724705640 /nfs/dbraw/zinc/70/56/40/724705640.db2.gz CTOXYXMADDXULR-UHFFFAOYSA-N 2 1 339.867 2.630 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598771 720932052 /nfs/dbraw/zinc/93/20/52/720932052.db2.gz KWKTYQKUSDMHPZ-QRQLOZEOSA-N 2 1 330.476 2.581 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958892 /nfs/dbraw/zinc/95/88/92/720958892.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958896 /nfs/dbraw/zinc/95/88/96/720958896.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958899 /nfs/dbraw/zinc/95/88/99/720958899.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541839 720983737 /nfs/dbraw/zinc/98/37/37/720983737.db2.gz FWJXYCMYQADALA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541839 720983740 /nfs/dbraw/zinc/98/37/40/720983740.db2.gz FWJXYCMYQADALA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541839 720983744 /nfs/dbraw/zinc/98/37/44/720983744.db2.gz FWJXYCMYQADALA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541879 720983833 /nfs/dbraw/zinc/98/38/33/720983833.db2.gz GSGBEOIFUAJIFA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541879 720983835 /nfs/dbraw/zinc/98/38/35/720983835.db2.gz GSGBEOIFUAJIFA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541879 720983837 /nfs/dbraw/zinc/98/38/37/720983837.db2.gz GSGBEOIFUAJIFA-ROUUACIJSA-N 2 1 333.520 2.655 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641517 721034116 /nfs/dbraw/zinc/03/41/16/721034116.db2.gz NVJAFEWPBJCKKZ-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641517 721034120 /nfs/dbraw/zinc/03/41/20/721034120.db2.gz NVJAFEWPBJCKKZ-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641517 721034124 /nfs/dbraw/zinc/03/41/24/721034124.db2.gz NVJAFEWPBJCKKZ-UKAVVXHISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639789 721040444 /nfs/dbraw/zinc/04/04/44/721040444.db2.gz ADRFHVYFSUDCHP-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982639789 721040447 /nfs/dbraw/zinc/04/04/47/721040447.db2.gz ADRFHVYFSUDCHP-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982639789 721040451 /nfs/dbraw/zinc/04/04/51/721040451.db2.gz ADRFHVYFSUDCHP-IZZBFERCSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000982652483 721055429 /nfs/dbraw/zinc/05/54/29/721055429.db2.gz VHOQCNAMVFTUHS-OYRHEFFESA-N 2 1 341.499 2.718 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725915 721131889 /nfs/dbraw/zinc/13/18/89/721131889.db2.gz QNWBRUDOOHOOTN-UKAVVXHISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650311 721239995 /nfs/dbraw/zinc/23/99/95/721239995.db2.gz IPXOMKIQRZMMIR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650311 721239998 /nfs/dbraw/zinc/23/99/98/721239998.db2.gz IPXOMKIQRZMMIR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650311 721240001 /nfs/dbraw/zinc/24/00/01/721240001.db2.gz IPXOMKIQRZMMIR-MSOLQXFVSA-N 2 1 335.536 2.757 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595480 721262147 /nfs/dbraw/zinc/26/21/47/721262147.db2.gz ZMKKEUKYBFRZCY-NVXWUHKLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595480 721262152 /nfs/dbraw/zinc/26/21/52/721262152.db2.gz ZMKKEUKYBFRZCY-NVXWUHKLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595480 721262154 /nfs/dbraw/zinc/26/21/54/721262154.db2.gz ZMKKEUKYBFRZCY-NVXWUHKLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595480 721262157 /nfs/dbraw/zinc/26/21/57/721262157.db2.gz ZMKKEUKYBFRZCY-NVXWUHKLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677662 721270620 /nfs/dbraw/zinc/27/06/20/721270620.db2.gz FTWUFXFRTGOPQD-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676342 721278269 /nfs/dbraw/zinc/27/82/69/721278269.db2.gz WPHOIRGFVXQKEZ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974676342 721278272 /nfs/dbraw/zinc/27/82/72/721278272.db2.gz WPHOIRGFVXQKEZ-CVEARBPZSA-N 2 1 330.476 2.553 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982830845 721301863 /nfs/dbraw/zinc/30/18/63/721301863.db2.gz BCBFCAHOEVPXJB-LFGUQSLTSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982833529 721308175 /nfs/dbraw/zinc/30/81/75/721308175.db2.gz MUCSTOSJTCJGND-NRSPTQNISA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985645671 724750231 /nfs/dbraw/zinc/75/02/31/724750231.db2.gz BLGPDESOTFTUNN-IBGZPJMESA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985645671 724750232 /nfs/dbraw/zinc/75/02/32/724750232.db2.gz BLGPDESOTFTUNN-IBGZPJMESA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000985647269 724752535 /nfs/dbraw/zinc/75/25/35/724752535.db2.gz NTTOROXOOFGIGB-UHFFFAOYSA-N 2 1 329.488 2.513 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974748804 721385079 /nfs/dbraw/zinc/38/50/79/721385079.db2.gz VTGRAAODLJWIRW-QGZVFWFLSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028718172 721890135 /nfs/dbraw/zinc/89/01/35/721890135.db2.gz CNTZNEKAZZWURL-QGZVFWFLSA-N 2 1 338.455 2.890 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755186 721936105 /nfs/dbraw/zinc/93/61/05/721936105.db2.gz IJVPVEJHFQCEST-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755186 721936106 /nfs/dbraw/zinc/93/61/06/721936106.db2.gz IJVPVEJHFQCEST-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755186 721936107 /nfs/dbraw/zinc/93/61/07/721936107.db2.gz IJVPVEJHFQCEST-HKUYNNGSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756016 721937823 /nfs/dbraw/zinc/93/78/23/721937823.db2.gz ZFBSIRYPTVJJIT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028756016 721937824 /nfs/dbraw/zinc/93/78/24/721937824.db2.gz ZFBSIRYPTVJJIT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028756016 721937825 /nfs/dbraw/zinc/93/78/25/721937825.db2.gz ZFBSIRYPTVJJIT-IEBWSBKVSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985695569 724807844 /nfs/dbraw/zinc/80/78/44/724807844.db2.gz ZZJYSPVDVULBHD-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985695569 724807848 /nfs/dbraw/zinc/80/78/48/724807848.db2.gz ZZJYSPVDVULBHD-IAGOWNOFSA-N 2 1 339.911 2.679 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000340 722616707 /nfs/dbraw/zinc/61/67/07/722616707.db2.gz BOMBQFLSXZKSRD-QGZVFWFLSA-N 2 1 329.488 2.766 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004835 722623266 /nfs/dbraw/zinc/62/32/66/722623266.db2.gz JQZBGGNAAYPCJY-HNNXBMFYSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004835 722623268 /nfs/dbraw/zinc/62/32/68/722623268.db2.gz JQZBGGNAAYPCJY-HNNXBMFYSA-N 2 1 335.879 2.552 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000983900047 723204685 /nfs/dbraw/zinc/20/46/85/723204685.db2.gz BYMXZIRKHIBFJM-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000983900047 723204688 /nfs/dbraw/zinc/20/46/88/723204688.db2.gz BYMXZIRKHIBFJM-UFYCRDLUSA-N 2 1 345.531 2.539 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985428829 724324785 /nfs/dbraw/zinc/32/47/85/724324785.db2.gz LRHQXIIRWPVBHQ-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985428829 724324789 /nfs/dbraw/zinc/32/47/89/724324789.db2.gz LRHQXIIRWPVBHQ-DOTOQJQBSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985432534 724342066 /nfs/dbraw/zinc/34/20/66/724342066.db2.gz GPVDOBVRLZZCDN-INIZCTEOSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985432534 724342068 /nfs/dbraw/zinc/34/20/68/724342068.db2.gz GPVDOBVRLZZCDN-INIZCTEOSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985432534 724342070 /nfs/dbraw/zinc/34/20/70/724342070.db2.gz GPVDOBVRLZZCDN-INIZCTEOSA-N 2 1 327.900 2.535 20 30 EFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985746253 724851227 /nfs/dbraw/zinc/85/12/27/724851227.db2.gz JLWYRPPPDJXBCR-OAQYLSRUSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009018 725459891 /nfs/dbraw/zinc/45/98/91/725459891.db2.gz FIOLDUJAUATEAY-NLWGTHIKSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169969 725584945 /nfs/dbraw/zinc/58/49/45/725584945.db2.gz HJKBYHCFPLFINA-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169969 725584946 /nfs/dbraw/zinc/58/49/46/725584946.db2.gz HJKBYHCFPLFINA-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169969 725584947 /nfs/dbraw/zinc/58/49/47/725584947.db2.gz HJKBYHCFPLFINA-XLIONFOSSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171904 725587079 /nfs/dbraw/zinc/58/70/79/725587079.db2.gz ZCYXUBPROCQXJC-PZJWPPBQSA-N 2 1 341.499 2.704 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@@H]12 ZINC000992239042 725638589 /nfs/dbraw/zinc/63/85/89/725638589.db2.gz HSNZUZLBLRRQLQ-QQTQMKHKSA-N 2 1 342.487 2.603 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266736 725658105 /nfs/dbraw/zinc/65/81/05/725658105.db2.gz ZMYPDMNRWQBVJJ-VQIMIIECSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266736 725658108 /nfs/dbraw/zinc/65/81/08/725658108.db2.gz ZMYPDMNRWQBVJJ-VQIMIIECSA-N 2 1 330.476 2.696 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276890 725666134 /nfs/dbraw/zinc/66/61/34/725666134.db2.gz BQULCIAQJKUUJS-WMZOPIPTSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276890 725666135 /nfs/dbraw/zinc/66/61/35/725666135.db2.gz BQULCIAQJKUUJS-WMZOPIPTSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992404783 725781045 /nfs/dbraw/zinc/78/10/45/725781045.db2.gz MMVCXWKBNJYLGX-TZIWHRDSSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480559 727288615 /nfs/dbraw/zinc/28/86/15/727288615.db2.gz PNMYJCWKHZEQTB-ROUUACIJSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993617014 727327227 /nfs/dbraw/zinc/32/72/27/727327227.db2.gz RUGRRFHOLFXAAI-CRAIPNDOSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630190 727348293 /nfs/dbraw/zinc/34/82/93/727348293.db2.gz KNSXLVKKULWFSV-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP COc1ccc(CCNC(NC[C@@H](C)[NH+](C)C)=[NH+]C(C)(C)C)cc1 ZINC000912509813 727719612 /nfs/dbraw/zinc/71/96/12/727719612.db2.gz SKISFFKQLREDGD-OAHLLOKOSA-N 2 1 334.508 2.522 20 30 EFEDMP C=CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000917069313 727763851 /nfs/dbraw/zinc/76/38/51/727763851.db2.gz NLTSOLHSHLPTNE-UHFFFAOYSA-N 2 1 329.488 2.795 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771288 728311042 /nfs/dbraw/zinc/31/10/42/728311042.db2.gz JGXJDAPFQBOHOS-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771288 728311046 /nfs/dbraw/zinc/31/10/46/728311046.db2.gz JGXJDAPFQBOHOS-DLBZAZTESA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040951082 728360140 /nfs/dbraw/zinc/36/01/40/728360140.db2.gz DEVVXWQEEPYFJC-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772104 728381585 /nfs/dbraw/zinc/38/15/85/728381585.db2.gz SMXPVYARRODGGO-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772104 728381588 /nfs/dbraw/zinc/38/15/88/728381588.db2.gz SMXPVYARRODGGO-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772104 728381589 /nfs/dbraw/zinc/38/15/89/728381589.db2.gz SMXPVYARRODGGO-MRXNPFEDSA-N 2 1 341.927 2.784 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991861673 728490434 /nfs/dbraw/zinc/49/04/34/728490434.db2.gz NFPGWOQMERFRSM-AEFFLSMTSA-N 2 1 344.846 2.814 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991861673 728490437 /nfs/dbraw/zinc/49/04/37/728490437.db2.gz NFPGWOQMERFRSM-AEFFLSMTSA-N 2 1 344.846 2.814 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000170908830 728494212 /nfs/dbraw/zinc/49/42/12/728494212.db2.gz KZLYHEOHGLPXFD-GOSISDBHSA-N 2 1 340.471 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948887300 728630431 /nfs/dbraw/zinc/63/04/31/728630431.db2.gz WYKBWNKRAUHFCV-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000064614130 729501310 /nfs/dbraw/zinc/50/13/10/729501310.db2.gz ZJBVENWTXUHRHH-KRWDZBQOSA-N 2 1 331.460 2.809 20 30 EFEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+](CC)CCC)CC1 ZINC001574866102 1088130698 /nfs/dbraw/zinc/13/06/98/1088130698.db2.gz DJVDSTTZWAZRDC-KRWDZBQOSA-N 2 1 346.523 2.591 20 30 EFEDMP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574892944 1088141502 /nfs/dbraw/zinc/14/15/02/1088141502.db2.gz MCNFIJUVCLOQBO-CTNGQTDRSA-N 2 1 341.499 2.856 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574902022 1088144528 /nfs/dbraw/zinc/14/45/28/1088144528.db2.gz ZDEPVUHIQVSMBJ-MOPGFXCFSA-N 2 1 329.488 2.793 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001574902768 1088145412 /nfs/dbraw/zinc/14/54/12/1088145412.db2.gz GGPDSDDYHQLYND-LJQANCHMSA-N 2 1 329.488 2.577 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448071 1092755424 /nfs/dbraw/zinc/75/54/24/1092755424.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448071 1092755430 /nfs/dbraw/zinc/75/54/30/1092755430.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448071 1092755437 /nfs/dbraw/zinc/75/54/37/1092755437.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422538 1092958796 /nfs/dbraw/zinc/95/87/96/1092958796.db2.gz XRVFGCUIAJMWGC-SOLBZPMBSA-N 2 1 332.492 2.620 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075453774 1093037827 /nfs/dbraw/zinc/03/78/27/1093037827.db2.gz AUAHHBWXJGSXIW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453774 1093037836 /nfs/dbraw/zinc/03/78/36/1093037836.db2.gz AUAHHBWXJGSXIW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075453774 1093037846 /nfs/dbraw/zinc/03/78/46/1093037846.db2.gz AUAHHBWXJGSXIW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454146 1093042697 /nfs/dbraw/zinc/04/26/97/1093042697.db2.gz MBULYVSYJFHCDO-PXNSSMCTSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075456126 1093159652 /nfs/dbraw/zinc/15/96/52/1093159652.db2.gz ZJINZXQMVXCBON-SFHVURJKSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075456126 1093159655 /nfs/dbraw/zinc/15/96/55/1093159655.db2.gz ZJINZXQMVXCBON-SFHVURJKSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112515245 1093196237 /nfs/dbraw/zinc/19/62/37/1093196237.db2.gz ZTVDMSXFZMXVOY-ZJOUEHCJSA-N 2 1 347.547 2.903 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461922 1093335387 /nfs/dbraw/zinc/33/53/87/1093335387.db2.gz WTZCBOWNLCCILY-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516596 1093552103 /nfs/dbraw/zinc/55/21/03/1093552103.db2.gz RPIWOJZOBZAWRN-IWFBPKFRSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004894 1094427521 /nfs/dbraw/zinc/42/75/21/1094427521.db2.gz QPDOKOAGRSKGPR-WMZOPIPTSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004894 1094427528 /nfs/dbraw/zinc/42/75/28/1094427528.db2.gz QPDOKOAGRSKGPR-WMZOPIPTSA-N 2 1 339.911 2.586 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529926 1094765394 /nfs/dbraw/zinc/76/53/94/1094765394.db2.gz VUJZONRLGMRXIN-BJLQDIEVSA-N 2 1 333.520 2.513 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481506821 1094991385 /nfs/dbraw/zinc/99/13/85/1094991385.db2.gz LEHWWDMHDNXDGK-QGZVFWFLSA-N 2 1 341.927 2.785 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421012 1095119031 /nfs/dbraw/zinc/11/90/31/1095119031.db2.gz YSTNHPOYDSPNCW-CABCVRRESA-N 2 1 341.927 2.734 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087304258 1095171105 /nfs/dbraw/zinc/17/11/05/1095171105.db2.gz ZQWDIMXZGRAADC-NZSAHSFTSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087304258 1095171110 /nfs/dbraw/zinc/17/11/10/1095171110.db2.gz ZQWDIMXZGRAADC-NZSAHSFTSA-N 2 1 347.547 2.900 20 30 EFEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001167838182 1095341987 /nfs/dbraw/zinc/34/19/87/1095341987.db2.gz RIALNXWYXQUYRZ-SFHVURJKSA-N 2 1 343.519 2.976 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981957970 1095794305 /nfs/dbraw/zinc/79/43/05/1095794305.db2.gz ANMFZAWIVGVDKL-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981957970 1095794318 /nfs/dbraw/zinc/79/43/18/1095794318.db2.gz ANMFZAWIVGVDKL-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981957970 1095794334 /nfs/dbraw/zinc/79/43/34/1095794334.db2.gz ANMFZAWIVGVDKL-SFHVURJKSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703130 1095939674 /nfs/dbraw/zinc/93/96/74/1095939674.db2.gz WLNGMOSYWWAFRM-VQTJNVASSA-N 2 1 343.515 2.879 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481689113 1096316976 /nfs/dbraw/zinc/31/69/76/1096316976.db2.gz WJWIGWDPAREYKS-HOCLYGCPSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481689113 1096316982 /nfs/dbraw/zinc/31/69/82/1096316982.db2.gz WJWIGWDPAREYKS-HOCLYGCPSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104897013 1098936411 /nfs/dbraw/zinc/93/64/11/1098936411.db2.gz ZWUSKNFZGXBYDJ-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP N#Cc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974279 1099351970 /nfs/dbraw/zinc/35/19/70/1099351970.db2.gz UDJDINSPNVYGHK-YQQQUEKLSA-N 2 1 325.456 2.932 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067190 1099542014 /nfs/dbraw/zinc/54/20/14/1099542014.db2.gz QZPSAVWVLYPYEM-GUDVDZBRSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067191 1099542578 /nfs/dbraw/zinc/54/25/78/1099542578.db2.gz QZPSAVWVLYPYEM-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067798 1099555522 /nfs/dbraw/zinc/55/55/22/1099555522.db2.gz VVJWSJDXRJMXIZ-RLLQIKCJSA-N 2 1 343.515 2.940 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673576 1099632724 /nfs/dbraw/zinc/63/27/24/1099632724.db2.gz QRDFXIOCHVRNMW-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087422900 1099708404 /nfs/dbraw/zinc/70/84/04/1099708404.db2.gz AOROWLRZBIDCPH-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087422900 1099708412 /nfs/dbraw/zinc/70/84/12/1099708412.db2.gz AOROWLRZBIDCPH-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087422900 1099708422 /nfs/dbraw/zinc/70/84/22/1099708422.db2.gz AOROWLRZBIDCPH-AQNXPRMDSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396068 1100571543 /nfs/dbraw/zinc/57/15/43/1100571543.db2.gz IAYZLLIMQPLPLI-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396068 1100571549 /nfs/dbraw/zinc/57/15/49/1100571549.db2.gz IAYZLLIMQPLPLI-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396068 1100571552 /nfs/dbraw/zinc/57/15/52/1100571552.db2.gz IAYZLLIMQPLPLI-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587885 /nfs/dbraw/zinc/58/78/85/1100587885.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396824 1100611013 /nfs/dbraw/zinc/61/10/13/1100611013.db2.gz WYICBFMDNBPKMJ-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396824 1100611015 /nfs/dbraw/zinc/61/10/15/1100611015.db2.gz WYICBFMDNBPKMJ-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396824 1100611018 /nfs/dbraw/zinc/61/10/18/1100611018.db2.gz WYICBFMDNBPKMJ-FQEVSTJZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396825 1100611252 /nfs/dbraw/zinc/61/12/52/1100611252.db2.gz WYICBFMDNBPKMJ-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396825 1100611256 /nfs/dbraw/zinc/61/12/56/1100611256.db2.gz WYICBFMDNBPKMJ-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396825 1100611260 /nfs/dbraw/zinc/61/12/60/1100611260.db2.gz WYICBFMDNBPKMJ-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677606 /nfs/dbraw/zinc/67/76/06/1100677606.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677610 /nfs/dbraw/zinc/67/76/10/1100677610.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677615 /nfs/dbraw/zinc/67/76/15/1100677615.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781625 1100762035 /nfs/dbraw/zinc/76/20/35/1100762035.db2.gz VDQXJRCFEMIGBB-DLBZAZTESA-N 2 1 341.927 2.828 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781625 1100762040 /nfs/dbraw/zinc/76/20/40/1100762040.db2.gz VDQXJRCFEMIGBB-DLBZAZTESA-N 2 1 341.927 2.828 20 30 EFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792225 1100775437 /nfs/dbraw/zinc/77/54/37/1100775437.db2.gz UBCJBFWSIXLXSK-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792225 1100775443 /nfs/dbraw/zinc/77/54/43/1100775443.db2.gz UBCJBFWSIXLXSK-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792225 1100775446 /nfs/dbraw/zinc/77/54/46/1100775446.db2.gz UBCJBFWSIXLXSK-OTWHNJEPSA-N 2 1 333.520 2.633 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087963814 1101088673 /nfs/dbraw/zinc/08/86/73/1101088673.db2.gz IRRMUDIBJXAOLZ-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963814 1101088679 /nfs/dbraw/zinc/08/86/79/1101088679.db2.gz IRRMUDIBJXAOLZ-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963814 1101088686 /nfs/dbraw/zinc/08/86/86/1101088686.db2.gz IRRMUDIBJXAOLZ-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999595 1101175230 /nfs/dbraw/zinc/17/52/30/1101175230.db2.gz SYQFULOKLCMRCT-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999595 1101175233 /nfs/dbraw/zinc/17/52/33/1101175233.db2.gz SYQFULOKLCMRCT-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999595 1101175240 /nfs/dbraw/zinc/17/52/40/1101175240.db2.gz SYQFULOKLCMRCT-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041791 1101234039 /nfs/dbraw/zinc/23/40/39/1101234039.db2.gz JXSRTWJRPXSDEU-AEFFLSMTSA-N 2 1 338.455 2.694 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064647 1101266888 /nfs/dbraw/zinc/26/68/88/1101266888.db2.gz NVYXOZHXQBJREJ-MSOLQXFVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681398 1101560850 /nfs/dbraw/zinc/56/08/50/1101560850.db2.gz GVOVWDYACRNVDM-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126122 1101612616 /nfs/dbraw/zinc/61/26/16/1101612616.db2.gz PWUNXXFEZCYJHB-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126122 1101612620 /nfs/dbraw/zinc/61/26/20/1101612620.db2.gz PWUNXXFEZCYJHB-MSOLQXFVSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129959 1101623266 /nfs/dbraw/zinc/62/32/66/1101623266.db2.gz OKQCWVURICXNDP-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001209439463 1101890607 /nfs/dbraw/zinc/89/06/07/1101890607.db2.gz QPQASEQQUYDUDS-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128330 1102046789 /nfs/dbraw/zinc/04/67/89/1102046789.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128330 1102046801 /nfs/dbraw/zinc/04/68/01/1102046801.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128330 1102046816 /nfs/dbraw/zinc/04/68/16/1102046816.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001209846305 1102054910 /nfs/dbraw/zinc/05/49/10/1102054910.db2.gz RQZQBWCJONWVFC-UHFFFAOYSA-N 2 1 346.478 2.522 20 30 EFEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232736 1102101028 /nfs/dbraw/zinc/10/10/28/1102101028.db2.gz OMLWHFAGUBAFNJ-GOSISDBHSA-N 2 1 335.536 2.951 20 30 EFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001271953509 1103229629 /nfs/dbraw/zinc/22/96/29/1103229629.db2.gz GZODLGIOARUEGH-OAQYLSRUSA-N 2 1 345.531 2.896 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001088381115 1103319812 /nfs/dbraw/zinc/31/98/12/1103319812.db2.gz XDOYMAVPXVNZQB-INIZCTEOSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881027 1103964409 /nfs/dbraw/zinc/96/44/09/1103964409.db2.gz ABPWGGFIUFSTGY-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881027 1103964411 /nfs/dbraw/zinc/96/44/11/1103964411.db2.gz ABPWGGFIUFSTGY-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881027 1103964418 /nfs/dbraw/zinc/96/44/18/1103964418.db2.gz ABPWGGFIUFSTGY-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001105445108 1104187374 /nfs/dbraw/zinc/18/73/74/1104187374.db2.gz RPIOBYIAQDGBHR-TYKWCNGQSA-N 2 1 343.515 2.711 20 30 EFEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001105446332 1104205578 /nfs/dbraw/zinc/20/55/78/1104205578.db2.gz HHGXNIACQTYYKJ-TYKWCNGQSA-N 2 1 343.515 2.711 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688350 1105787127 /nfs/dbraw/zinc/78/71/27/1105787127.db2.gz GOGXHIXAXPQUBA-QAPCUYQASA-N 2 1 326.444 2.802 20 30 EFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542591 1105900789 /nfs/dbraw/zinc/90/07/89/1105900789.db2.gz YEVMBGBDZVGEAO-IBGZPJMESA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575090 1105961704 /nfs/dbraw/zinc/96/17/04/1105961704.db2.gz QPQYZBCYKLUKBT-LJQANCHMSA-N 2 1 347.547 2.883 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015082 1106876891 /nfs/dbraw/zinc/87/68/91/1106876891.db2.gz BSQDDHIQLPAHTN-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015082 1106876898 /nfs/dbraw/zinc/87/68/98/1106876898.db2.gz BSQDDHIQLPAHTN-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015082 1106876908 /nfs/dbraw/zinc/87/69/08/1106876908.db2.gz BSQDDHIQLPAHTN-QWFCFKBJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990613390 1108390192 /nfs/dbraw/zinc/39/01/92/1108390192.db2.gz JUBSSYZYXJIPCQ-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990613390 1108390207 /nfs/dbraw/zinc/39/02/07/1108390207.db2.gz JUBSSYZYXJIPCQ-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990613390 1108390221 /nfs/dbraw/zinc/39/02/21/1108390221.db2.gz JUBSSYZYXJIPCQ-CMKODMSKSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990613393 1108392020 /nfs/dbraw/zinc/39/20/20/1108392020.db2.gz JUBSSYZYXJIPCQ-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990613393 1108392034 /nfs/dbraw/zinc/39/20/34/1108392034.db2.gz JUBSSYZYXJIPCQ-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990613393 1108392048 /nfs/dbraw/zinc/39/20/48/1108392048.db2.gz JUBSSYZYXJIPCQ-WSTZPKSXSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244724 1109727697 /nfs/dbraw/zinc/72/76/97/1109727697.db2.gz WOWYWYXLBHYOBS-VQTJNVASSA-N 2 1 341.499 2.513 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320978 1109765920 /nfs/dbraw/zinc/76/59/20/1109765920.db2.gz LCELIIRVAOMTAS-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076320978 1109765923 /nfs/dbraw/zinc/76/59/23/1109765923.db2.gz LCELIIRVAOMTAS-DLBZAZTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323792 1109767189 /nfs/dbraw/zinc/76/71/89/1109767189.db2.gz GWCLRBZDDCXTNQ-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249658 1111219344 /nfs/dbraw/zinc/21/93/44/1111219344.db2.gz MKCXVFALJMQXCT-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321774 1111410448 /nfs/dbraw/zinc/41/04/48/1111410448.db2.gz DTBGARGNHCBDDV-QRVBRYPASA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229250 1111563764 /nfs/dbraw/zinc/56/37/64/1111563764.db2.gz ICMLIISLKLXSAO-MSOLQXFVSA-N 2 1 335.536 2.737 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730556 1111775603 /nfs/dbraw/zinc/77/56/03/1111775603.db2.gz FAQGZEPJYGPOCD-OIISXLGYSA-N 2 1 341.927 2.686 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869186 1111932763 /nfs/dbraw/zinc/93/27/63/1111932763.db2.gz VNNDNEPOWJJEFC-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310451 1112008526 /nfs/dbraw/zinc/00/85/26/1112008526.db2.gz MTOQWYQPCDQTHM-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310451 1112008528 /nfs/dbraw/zinc/00/85/28/1112008528.db2.gz MTOQWYQPCDQTHM-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310451 1112008533 /nfs/dbraw/zinc/00/85/33/1112008533.db2.gz MTOQWYQPCDQTHM-ZWKOTPCHSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386072 1112049497 /nfs/dbraw/zinc/04/94/97/1112049497.db2.gz MKPVWUNSFWZNKJ-ZWKOTPCHSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406954 1112079158 /nfs/dbraw/zinc/07/91/58/1112079158.db2.gz UITOQVSMWUHDMJ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406954 1112079163 /nfs/dbraw/zinc/07/91/63/1112079163.db2.gz UITOQVSMWUHDMJ-HOTGVXAUSA-N 2 1 330.476 2.553 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089410957 1112085077 /nfs/dbraw/zinc/08/50/77/1112085077.db2.gz YBBMKJOJNYXYCU-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089410957 1112085082 /nfs/dbraw/zinc/08/50/82/1112085082.db2.gz YBBMKJOJNYXYCU-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089410957 1112085084 /nfs/dbraw/zinc/08/50/84/1112085084.db2.gz YBBMKJOJNYXYCU-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089410957 1112085088 /nfs/dbraw/zinc/08/50/88/1112085088.db2.gz YBBMKJOJNYXYCU-MOPGFXCFSA-N 2 1 345.531 2.657 20 30 EFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473517 1112200442 /nfs/dbraw/zinc/20/04/42/1112200442.db2.gz YKJYELFROZYSDK-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473517 1112200444 /nfs/dbraw/zinc/20/04/44/1112200444.db2.gz YKJYELFROZYSDK-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473517 1112200446 /nfs/dbraw/zinc/20/04/46/1112200446.db2.gz YKJYELFROZYSDK-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492880 1112228992 /nfs/dbraw/zinc/22/89/92/1112228992.db2.gz PYAJPEBWVMWJLT-GDBMZVCRSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492880 1112228996 /nfs/dbraw/zinc/22/89/96/1112228996.db2.gz PYAJPEBWVMWJLT-GDBMZVCRSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492880 1112228998 /nfs/dbraw/zinc/22/89/98/1112228998.db2.gz PYAJPEBWVMWJLT-GDBMZVCRSA-N 2 1 341.927 2.688 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536310 1112275656 /nfs/dbraw/zinc/27/56/56/1112275656.db2.gz BBOXWZDQRKHCDU-JKSUJKDBSA-N 2 1 341.927 2.688 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561167 1112310264 /nfs/dbraw/zinc/31/02/64/1112310264.db2.gz NRFFDNLXGVZKBY-IBGZPJMESA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565631 1112318052 /nfs/dbraw/zinc/31/80/52/1112318052.db2.gz UYQKNXPUGFSHGK-SFHVURJKSA-N 2 1 341.499 2.602 20 30 EFEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663978 1112607871 /nfs/dbraw/zinc/60/78/71/1112607871.db2.gz BRUSGFOEOQSFHV-QGZVFWFLSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664894 1112618348 /nfs/dbraw/zinc/61/83/48/1112618348.db2.gz QBEVKHGYSMJOQR-KRWDZBQOSA-N 2 1 333.520 2.798 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089704951 1112850380 /nfs/dbraw/zinc/85/03/80/1112850380.db2.gz ADCRTJGMLUZUKF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089704951 1112850382 /nfs/dbraw/zinc/85/03/82/1112850382.db2.gz ADCRTJGMLUZUKF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089704951 1112850387 /nfs/dbraw/zinc/85/03/87/1112850387.db2.gz ADCRTJGMLUZUKF-RBUKOAKNSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089704949 1112850453 /nfs/dbraw/zinc/85/04/53/1112850453.db2.gz ADCRTJGMLUZUKF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089704949 1112850457 /nfs/dbraw/zinc/85/04/57/1112850457.db2.gz ADCRTJGMLUZUKF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089704949 1112850459 /nfs/dbraw/zinc/85/04/59/1112850459.db2.gz ADCRTJGMLUZUKF-MOPGFXCFSA-N 2 1 347.547 2.879 20 30 EFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106908016 1112867978 /nfs/dbraw/zinc/86/79/78/1112867978.db2.gz MAEKNMXUGIUPIL-QZTJIDSGSA-N 2 1 325.541 2.983 20 30 EFEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806633 1113060693 /nfs/dbraw/zinc/06/06/93/1113060693.db2.gz RIPNZEHWZDPTAV-RDGPPVDQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001484753848 1113132287 /nfs/dbraw/zinc/13/22/87/1113132287.db2.gz QZNYITCORQVLBF-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001484753848 1113132290 /nfs/dbraw/zinc/13/22/90/1113132290.db2.gz QZNYITCORQVLBF-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001484753848 1113132292 /nfs/dbraw/zinc/13/22/92/1113132292.db2.gz QZNYITCORQVLBF-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001484753848 1113132294 /nfs/dbraw/zinc/13/22/94/1113132294.db2.gz QZNYITCORQVLBF-INIZCTEOSA-N 2 1 329.916 2.641 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845165 1118241345 /nfs/dbraw/zinc/24/13/45/1118241345.db2.gz DCBUILSMDYTHBU-OKYOBFRVSA-N 2 1 345.531 2.606 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(CC)CC)CC1 ZINC000948450027 1118921504 /nfs/dbraw/zinc/92/15/04/1118921504.db2.gz ZGEPSBNWDJMUQN-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC000948450027 1118921508 /nfs/dbraw/zinc/92/15/08/1118921508.db2.gz ZGEPSBNWDJMUQN-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(CC)CC)CC1 ZINC000948450027 1118921510 /nfs/dbraw/zinc/92/15/10/1118921510.db2.gz ZGEPSBNWDJMUQN-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(CC)CC)CC1 ZINC000948450027 1118921514 /nfs/dbraw/zinc/92/15/14/1118921514.db2.gz ZGEPSBNWDJMUQN-PMACEKPBSA-N 2 1 347.547 2.833 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518866 1118921800 /nfs/dbraw/zinc/92/18/00/1118921800.db2.gz YMHQANYLORAFSF-MLGOLLRUSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518866 1118921803 /nfs/dbraw/zinc/92/18/03/1118921803.db2.gz YMHQANYLORAFSF-MLGOLLRUSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520918 1118924538 /nfs/dbraw/zinc/92/45/38/1118924538.db2.gz NAVGCVVIFDSRQJ-IAGOWNOFSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520918 1118924541 /nfs/dbraw/zinc/92/45/41/1118924541.db2.gz NAVGCVVIFDSRQJ-IAGOWNOFSA-N 2 1 344.503 2.555 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529954 1118930627 /nfs/dbraw/zinc/93/06/27/1118930627.db2.gz OFORLHKJPPXEHM-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942723993 1119087029 /nfs/dbraw/zinc/08/70/29/1119087029.db2.gz RUTQPGZLMIPUCK-XLIONFOSSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514431 1119529482 /nfs/dbraw/zinc/52/94/82/1119529482.db2.gz CEXPQNGMBFOXIK-VQIMIIECSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046701 1119892763 /nfs/dbraw/zinc/89/27/63/1119892763.db2.gz KKMHFUBLFCANAF-LPHOPBHVSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039452 1120078420 /nfs/dbraw/zinc/07/84/20/1120078420.db2.gz RYMWVSZDIYMCLV-BHIYHBOVSA-N 2 1 329.488 2.550 20 30 EFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039487 1120078433 /nfs/dbraw/zinc/07/84/33/1120078433.db2.gz UJJQQNRIGCDWEV-MISYRCLQSA-N 2 1 343.515 2.940 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553875 1120163569 /nfs/dbraw/zinc/16/35/69/1120163569.db2.gz NTVDHWIANPVIMB-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553875 1120163570 /nfs/dbraw/zinc/16/35/70/1120163570.db2.gz NTVDHWIANPVIMB-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553875 1120163573 /nfs/dbraw/zinc/16/35/73/1120163573.db2.gz NTVDHWIANPVIMB-JKSUJKDBSA-N 2 1 327.900 2.536 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029124 1120520941 /nfs/dbraw/zinc/52/09/41/1120520941.db2.gz QQMDVHAQGOUGQA-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089880 1120560355 /nfs/dbraw/zinc/56/03/55/1120560355.db2.gz IRJVJIJWIMNDJX-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945094324 1120570879 /nfs/dbraw/zinc/57/08/79/1120570879.db2.gz WIDFLIRHVQYJMZ-RDTXWAMCSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945094324 1120570884 /nfs/dbraw/zinc/57/08/84/1120570884.db2.gz WIDFLIRHVQYJMZ-RDTXWAMCSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945094319 1120571156 /nfs/dbraw/zinc/57/11/56/1120571156.db2.gz WIDFLIRHVQYJMZ-KBXCAEBGSA-N 2 1 349.906 2.941 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945094319 1120571161 /nfs/dbraw/zinc/57/11/61/1120571161.db2.gz WIDFLIRHVQYJMZ-KBXCAEBGSA-N 2 1 349.906 2.941 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180109 1120648962 /nfs/dbraw/zinc/64/89/62/1120648962.db2.gz KOIGVJIHCICAFQ-HKUYNNGSSA-N 2 1 347.547 2.594 20 30 EFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000180988193 234052239 /nfs/dbraw/zinc/05/22/39/234052239.db2.gz VXRTVFZRSJYBGR-KRWDZBQOSA-N 2 1 341.480 2.866 20 30 EFEDMP C[NH+](C)CC(C)(C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387251 234171164 /nfs/dbraw/zinc/17/11/64/234171164.db2.gz HLJZLDXLNBVJSI-UHFFFAOYSA-N 2 1 328.504 2.700 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000274250805 283056808 /nfs/dbraw/zinc/05/68/08/283056808.db2.gz YWLABOGUESIRPT-FUMNGEBKSA-N 2 1 327.472 2.541 20 30 EFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000274250805 283056813 /nfs/dbraw/zinc/05/68/13/283056813.db2.gz YWLABOGUESIRPT-FUMNGEBKSA-N 2 1 327.472 2.541 20 30 EFEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000262358557 240349710 /nfs/dbraw/zinc/34/97/10/240349710.db2.gz ICOKQKINKQMJID-UHFFFAOYSA-N 2 1 328.338 2.574 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000262444910 240354296 /nfs/dbraw/zinc/35/42/96/240354296.db2.gz ILJUFULOJLFKGU-HNNXBMFYSA-N 2 1 342.896 2.513 20 30 EFEDMP CC/[NH+]=C(/N(C)C)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262483524 240355858 /nfs/dbraw/zinc/35/58/58/240355858.db2.gz SBAYHOUULVGOAT-LCPUNJGISA-N 2 1 328.504 2.912 20 30 EFEDMP [NH2+]=C(Nc1ccccc1OC(F)(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262491691 240356762 /nfs/dbraw/zinc/35/67/62/240356762.db2.gz XJXKVGWRRFGDOT-SNVBAGLBSA-N 2 1 339.321 2.523 20 30 EFEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])Nc3ccccn3)CCCCC2)CCO1 ZINC000262529992 240360324 /nfs/dbraw/zinc/36/03/24/240360324.db2.gz NAGQKXDYTVVECI-UHFFFAOYSA-N 2 1 345.491 2.622 20 30 EFEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])Nc3ccccn3)CCCCC2)CCO1 ZINC000262529992 240360326 /nfs/dbraw/zinc/36/03/26/240360326.db2.gz NAGQKXDYTVVECI-UHFFFAOYSA-N 2 1 345.491 2.622 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248058945 240286886 /nfs/dbraw/zinc/28/68/86/240286886.db2.gz XWNXHYRKYBHQGZ-XUVXKRRUSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248058945 240286894 /nfs/dbraw/zinc/28/68/94/240286894.db2.gz XWNXHYRKYBHQGZ-XUVXKRRUSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248058945 240286902 /nfs/dbraw/zinc/28/69/02/240286902.db2.gz XWNXHYRKYBHQGZ-XUVXKRRUSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248058948 240287246 /nfs/dbraw/zinc/28/72/46/240287246.db2.gz XWNXHYRKYBHQGZ-ZCNNSNEGSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248058948 240287256 /nfs/dbraw/zinc/28/72/56/240287256.db2.gz XWNXHYRKYBHQGZ-ZCNNSNEGSA-N 2 1 344.499 2.571 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248058948 240287266 /nfs/dbraw/zinc/28/72/66/240287266.db2.gz XWNXHYRKYBHQGZ-ZCNNSNEGSA-N 2 1 344.499 2.571 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262010025 240340969 /nfs/dbraw/zinc/34/09/69/240340969.db2.gz JHOLTSNGZZUADY-CZUORRHYSA-N 2 1 338.858 2.952 20 30 EFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)NC1CC1 ZINC000262036322 240341868 /nfs/dbraw/zinc/34/18/68/240341868.db2.gz QNDAPNWWBCFNRZ-BLLLJJGKSA-N 2 1 338.858 2.799 20 30 EFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCCCC3)CC2)cs1 ZINC000304763823 241198224 /nfs/dbraw/zinc/19/82/24/241198224.db2.gz XFPCSOFLBLPOFB-UHFFFAOYSA-N 2 1 349.548 2.718 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000329458229 241374329 /nfs/dbraw/zinc/37/43/29/241374329.db2.gz ODPBTPLPRHGOGK-FCEWJHQRSA-N 2 1 345.487 2.583 20 30 EFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000329458229 241374333 /nfs/dbraw/zinc/37/43/33/241374333.db2.gz ODPBTPLPRHGOGK-FCEWJHQRSA-N 2 1 345.487 2.583 20 30 EFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000329458229 241374337 /nfs/dbraw/zinc/37/43/37/241374337.db2.gz ODPBTPLPRHGOGK-FCEWJHQRSA-N 2 1 345.487 2.583 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358161391 242114527 /nfs/dbraw/zinc/11/45/27/242114527.db2.gz XKWIXNVRQXFCAE-IRXDYDNUSA-N 2 1 336.524 2.589 20 30 EFEDMP C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899733 247210414 /nfs/dbraw/zinc/21/04/14/247210414.db2.gz MCDJUHZNYSDXCL-FQEVSTJZSA-N 2 1 346.519 2.930 20 30 EFEDMP C[N@H+](CCC(=O)Nc1sccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000441350664 250023016 /nfs/dbraw/zinc/02/30/16/250023016.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 2 1 334.489 2.755 20 30 EFEDMP C[NH+](CCC(=O)Nc1sccc1C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000441350664 250023018 /nfs/dbraw/zinc/02/30/18/250023018.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 2 1 334.489 2.755 20 30 EFEDMP C[NH+](CCC(=O)Nc1sccc1C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000441350664 250023022 /nfs/dbraw/zinc/02/30/22/250023022.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 2 1 334.489 2.755 20 30 EFEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711195 250106240 /nfs/dbraw/zinc/10/62/40/250106240.db2.gz RPTPAWGPWUUQQV-UXHICEINSA-N 2 1 326.488 2.606 20 30 EFEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000442727062 250107799 /nfs/dbraw/zinc/10/77/99/250107799.db2.gz VJDUPBVAKLZZRK-MISYRCLQSA-N 2 1 326.488 2.647 20 30 EFEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C#N ZINC000443998525 250246784 /nfs/dbraw/zinc/24/67/84/250246784.db2.gz VEVXSNAGTUIANU-NRFANRHFSA-N 2 1 335.451 2.723 20 30 EFEDMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449783333 251155247 /nfs/dbraw/zinc/15/52/47/251155247.db2.gz OHFYBYDYRYBIEY-UHFFFAOYSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071645 145361621 /nfs/dbraw/zinc/36/16/21/145361621.db2.gz KIEIFIUJBARHAT-HXUWFJFHSA-N 2 1 340.515 2.844 20 30 EFEDMP CC[N@@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000344077245 145362768 /nfs/dbraw/zinc/36/27/68/145362768.db2.gz PWOHLCMSCBULJG-UHFFFAOYSA-N 2 1 328.504 2.843 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)c(C#N)c1 ZINC000344155134 145381136 /nfs/dbraw/zinc/38/11/36/145381136.db2.gz JWRQNZLEGMDDNL-UHFFFAOYSA-N 2 1 332.467 2.547 20 30 EFEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000344160138 145381586 /nfs/dbraw/zinc/38/15/86/145381586.db2.gz DOKAARNTCPZMNY-SFHVURJKSA-N 2 1 328.504 2.969 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C#N ZINC000533758045 270037057 /nfs/dbraw/zinc/03/70/57/270037057.db2.gz FKGALNLUPMOJLS-UHFFFAOYSA-N 2 1 343.471 2.897 20 30 EFEDMP COC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000533758045 270037058 /nfs/dbraw/zinc/03/70/58/270037058.db2.gz FKGALNLUPMOJLS-UHFFFAOYSA-N 2 1 343.471 2.897 20 30 EFEDMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084124 /nfs/dbraw/zinc/08/41/24/266084124.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 2 1 328.504 2.843 20 30 EFEDMP CC(C)[N@H+](C)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084126 /nfs/dbraw/zinc/08/41/26/266084126.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 2 1 328.504 2.843 20 30 EFEDMP CC(C)[N@@H+](C)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084129 /nfs/dbraw/zinc/08/41/29/266084129.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 2 1 328.504 2.843 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000482162124 267059748 /nfs/dbraw/zinc/05/97/48/267059748.db2.gz GUWSJHXQHJKAPF-MJGOQNOKSA-N 2 1 342.487 2.987 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852936 268065211 /nfs/dbraw/zinc/06/52/11/268065211.db2.gz IYDHKADTXODADK-SFTDATJTSA-N 2 1 338.499 2.739 20 30 EFEDMP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000272285878 268113612 /nfs/dbraw/zinc/11/36/12/268113612.db2.gz GIJUEDQEQIECGQ-SFHVURJKSA-N 2 1 349.438 2.656 20 30 EFEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347184 274335899 /nfs/dbraw/zinc/33/58/99/274335899.db2.gz STXNWWDUTPTXAM-QGPMSJSTSA-N 2 1 330.451 2.596 20 30 EFEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361347184 274335902 /nfs/dbraw/zinc/33/59/02/274335902.db2.gz STXNWWDUTPTXAM-QGPMSJSTSA-N 2 1 330.451 2.596 20 30 EFEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264069253 276088892 /nfs/dbraw/zinc/08/88/92/276088892.db2.gz FXLQPTDYNONZGC-SFHVURJKSA-N 2 1 332.492 2.879 20 30 EFEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@H]1C ZINC000262025036 278218215 /nfs/dbraw/zinc/21/82/15/278218215.db2.gz ZFJXPDUCUXVMIJ-CABCVRRESA-N 2 1 346.475 2.837 20 30 EFEDMP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181478177 279303406 /nfs/dbraw/zinc/30/34/06/279303406.db2.gz HYWQKZKHEWTCNU-GOSISDBHSA-N 2 1 340.515 2.987 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360038 279329957 /nfs/dbraw/zinc/32/99/57/279329957.db2.gz YKOFENPWCLRTIZ-SFHVURJKSA-N 2 1 332.467 2.545 20 30 EFEDMP COc1ccccc1[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000261998803 295382513 /nfs/dbraw/zinc/38/25/13/295382513.db2.gz OUCJVJUXMHWWLR-QGZVFWFLSA-N 2 1 332.492 2.701 20 30 EFEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000576911147 320059204 /nfs/dbraw/zinc/05/92/04/320059204.db2.gz IHWABEQNUWKZFB-IRLDBZIGSA-N 2 1 347.462 2.902 20 30 EFEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124390680 473240263 /nfs/dbraw/zinc/24/02/63/473240263.db2.gz QEKCKTJXHBVVGI-GOSISDBHSA-N 2 1 343.515 2.623 20 30 EFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)NCC1CCC1 ZINC000083819656 473369138 /nfs/dbraw/zinc/36/91/38/473369138.db2.gz SKJJODZOMUMUOB-UHFFFAOYSA-N 2 1 329.423 2.785 20 30 EFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N[C@H]1C[C@@H]1C ZINC000083880697 473371751 /nfs/dbraw/zinc/37/17/51/473371751.db2.gz PMYOYHDUEQCUBU-LRDDRELGSA-N 2 1 329.423 2.783 20 30 EFEDMP C=C1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000342000000 475494141 /nfs/dbraw/zinc/49/41/41/475494141.db2.gz XIMCZYLJFXUGRW-UHFFFAOYSA-N 2 1 341.499 2.728 20 30 EFEDMP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527583 478067802 /nfs/dbraw/zinc/06/78/02/478067802.db2.gz JZAWQEKEDNYCBB-ICSRJNTNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527583 478067808 /nfs/dbraw/zinc/06/78/08/478067808.db2.gz JZAWQEKEDNYCBB-ICSRJNTNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527583 478067815 /nfs/dbraw/zinc/06/78/15/478067815.db2.gz JZAWQEKEDNYCBB-ICSRJNTNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCC[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527583 478067824 /nfs/dbraw/zinc/06/78/24/478067824.db2.gz JZAWQEKEDNYCBB-ICSRJNTNSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000076763202 472399848 /nfs/dbraw/zinc/39/98/48/472399848.db2.gz WGYWXZWJBYDSEC-LJQANCHMSA-N 2 1 342.483 2.679 20 30 EFEDMP C=C(C)COc1cc(C[NH2+]CCC[N@H+](C)CCOC)ccc1OC ZINC000057962817 472495271 /nfs/dbraw/zinc/49/52/71/472495271.db2.gz AUAGPOWYQWESPY-UHFFFAOYSA-N 2 1 336.476 2.708 20 30 EFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000105443791 472753183 /nfs/dbraw/zinc/75/31/83/472753183.db2.gz NCLQUWCUZQUNQO-MRXNPFEDSA-N 2 1 325.460 2.967 20 30 EFEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000157393959 472815794 /nfs/dbraw/zinc/81/57/94/472815794.db2.gz OBCOHJOMQYZGKF-FUHWJXTLSA-N 2 1 344.503 2.783 20 30 EFEDMP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000079303768 472847186 /nfs/dbraw/zinc/84/71/86/472847186.db2.gz NXVBLWQDZQILEI-IRXDYDNUSA-N 2 1 329.488 2.841 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563380 472889706 /nfs/dbraw/zinc/88/97/06/472889706.db2.gz MMFYNIOFTOFZTC-FQEVSTJZSA-N 2 1 348.535 2.629 20 30 EFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881157 472981239 /nfs/dbraw/zinc/98/12/39/472981239.db2.gz RFFWDEBWGZIMSI-MJGOQNOKSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881157 472981244 /nfs/dbraw/zinc/98/12/44/472981244.db2.gz RFFWDEBWGZIMSI-MJGOQNOKSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134881157 472981253 /nfs/dbraw/zinc/98/12/53/472981253.db2.gz RFFWDEBWGZIMSI-MJGOQNOKSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134881157 472981255 /nfs/dbraw/zinc/98/12/55/472981255.db2.gz RFFWDEBWGZIMSI-MJGOQNOKSA-N 2 1 325.456 2.886 20 30 EFEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(CC#N)CC1 ZINC000080201278 472994394 /nfs/dbraw/zinc/99/43/94/472994394.db2.gz CZAPBKACGGKDJN-UHFFFAOYSA-N 2 1 328.504 2.722 20 30 EFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000093142083 473051557 /nfs/dbraw/zinc/05/15/57/473051557.db2.gz XZSGFXBBDFDABI-UHFFFAOYSA-N 2 1 348.535 2.583 20 30 EFEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000160145738 473091216 /nfs/dbraw/zinc/09/12/16/473091216.db2.gz XKYWBRMJUFHXLM-SUMDDJOVSA-N 2 1 344.478 2.986 20 30 EFEDMP C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125955636 473475191 /nfs/dbraw/zinc/47/51/91/473475191.db2.gz ZQQDQBOBEGXOHE-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+](CC)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125955636 473475196 /nfs/dbraw/zinc/47/51/96/473475196.db2.gz ZQQDQBOBEGXOHE-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C=C(C)C[NH+](CC)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125955636 473475199 /nfs/dbraw/zinc/47/51/99/473475199.db2.gz ZQQDQBOBEGXOHE-PKOBYXMFSA-N 2 1 329.488 2.664 20 30 EFEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688364 473488639 /nfs/dbraw/zinc/48/86/39/473488639.db2.gz BQUMPEVIPIQJOR-IRXDYDNUSA-N 2 1 346.519 2.572 20 30 EFEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688364 473488643 /nfs/dbraw/zinc/48/86/43/473488643.db2.gz BQUMPEVIPIQJOR-IRXDYDNUSA-N 2 1 346.519 2.572 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193951 473646436 /nfs/dbraw/zinc/64/64/36/473646436.db2.gz WNNHFEOYNJHMNA-BEFAXECRSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193951 473646440 /nfs/dbraw/zinc/64/64/40/473646440.db2.gz WNNHFEOYNJHMNA-BEFAXECRSA-N 2 1 333.451 2.924 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281386292 473702217 /nfs/dbraw/zinc/70/22/17/473702217.db2.gz PNEGPWAFDNHANT-BWPNAZKDSA-N 2 1 341.499 2.520 20 30 EFEDMP C=CCN1CC[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281386292 473702224 /nfs/dbraw/zinc/70/22/24/473702224.db2.gz PNEGPWAFDNHANT-BWPNAZKDSA-N 2 1 341.499 2.520 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000281526073 473752661 /nfs/dbraw/zinc/75/26/61/473752661.db2.gz IYLATGHEVNXJLW-UHFFFAOYSA-N 2 1 333.863 2.685 20 30 EFEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000263762028 473837581 /nfs/dbraw/zinc/83/75/81/473837581.db2.gz QUXHJKCQOYNCER-IAGOWNOFSA-N 2 1 327.472 2.879 20 30 EFEDMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269675498 473857532 /nfs/dbraw/zinc/85/75/32/473857532.db2.gz PDSYGWIHHJWYGO-FQEVSTJZSA-N 2 1 326.488 2.550 20 30 EFEDMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269675498 473857539 /nfs/dbraw/zinc/85/75/39/473857539.db2.gz PDSYGWIHHJWYGO-FQEVSTJZSA-N 2 1 326.488 2.550 20 30 EFEDMP C=CCN1CC[C@@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938761 473890880 /nfs/dbraw/zinc/89/08/80/473890880.db2.gz IRKGRXFVIPUXFW-HXUWFJFHSA-N 2 1 341.499 2.617 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246542292 473896756 /nfs/dbraw/zinc/89/67/56/473896756.db2.gz JWPXWSJVKLNCCA-SCTDSRPQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246542292 473896760 /nfs/dbraw/zinc/89/67/60/473896760.db2.gz JWPXWSJVKLNCCA-SCTDSRPQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542292 473896765 /nfs/dbraw/zinc/89/67/65/473896765.db2.gz JWPXWSJVKLNCCA-SCTDSRPQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246542292 473896768 /nfs/dbraw/zinc/89/67/68/473896768.db2.gz JWPXWSJVKLNCCA-SCTDSRPQSA-N 2 1 333.520 2.748 20 30 EFEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264107121 473950498 /nfs/dbraw/zinc/95/04/98/473950498.db2.gz PXVNYQDCJOMCCP-UHFFFAOYSA-N 2 1 345.535 2.954 20 30 EFEDMP CC(C)c1cccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000264106144 473951161 /nfs/dbraw/zinc/95/11/61/473951161.db2.gz PNMVEJMXTWNFCL-UHFFFAOYSA-N 2 1 331.508 2.564 20 30 EFEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000264106144 473951167 /nfs/dbraw/zinc/95/11/67/473951167.db2.gz PNMVEJMXTWNFCL-UHFFFAOYSA-N 2 1 331.508 2.564 20 30 EFEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000264106144 473951174 /nfs/dbraw/zinc/95/11/74/473951174.db2.gz PNMVEJMXTWNFCL-UHFFFAOYSA-N 2 1 331.508 2.564 20 30 EFEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264125524 473951660 /nfs/dbraw/zinc/95/16/60/473951660.db2.gz SBTAKTWJZMNNFI-HOTGVXAUSA-N 2 1 332.492 2.500 20 30 EFEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117836 473952540 /nfs/dbraw/zinc/95/25/40/473952540.db2.gz TYHYYEWNNJYVJN-QGZVFWFLSA-N 2 1 345.535 2.810 20 30 EFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246924502 474005277 /nfs/dbraw/zinc/00/52/77/474005277.db2.gz SRQVQBDSIVHEMS-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246924502 474005283 /nfs/dbraw/zinc/00/52/83/474005283.db2.gz SRQVQBDSIVHEMS-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246924502 474005290 /nfs/dbraw/zinc/00/52/90/474005290.db2.gz SRQVQBDSIVHEMS-FXAWDEMLSA-N 2 1 325.456 2.886 20 30 EFEDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181696911 474058148 /nfs/dbraw/zinc/05/81/48/474058148.db2.gz OGEAEHLMHIESKD-QGZVFWFLSA-N 2 1 344.503 2.513 20 30 EFEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264941645 474161360 /nfs/dbraw/zinc/16/13/60/474161360.db2.gz GMSCGJRBMXFODG-UHFFFAOYSA-N 2 1 334.427 2.759 20 30 EFEDMP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000275789523 474318512 /nfs/dbraw/zinc/31/85/12/474318512.db2.gz WZJICBOVYBGHFU-UHFFFAOYSA-N 2 1 326.488 2.597 20 30 EFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996299 474530958 /nfs/dbraw/zinc/53/09/58/474530958.db2.gz DISSSYZJQNNITI-DNVCBOLYSA-N 2 1 333.451 2.924 20 30 EFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996299 474530966 /nfs/dbraw/zinc/53/09/66/474530966.db2.gz DISSSYZJQNNITI-DNVCBOLYSA-N 2 1 333.451 2.924 20 30 EFEDMP C=CCC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500102 474565323 /nfs/dbraw/zinc/56/53/23/474565323.db2.gz WCWQASHCCOXLCS-KRWDZBQOSA-N 2 1 329.488 2.664 20 30 EFEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000290384619 474569245 /nfs/dbraw/zinc/56/92/45/474569245.db2.gz OFPIAXIGUAKJCC-JOCHJYFZSA-N 2 1 334.463 2.914 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290563706 474577703 /nfs/dbraw/zinc/57/77/03/474577703.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290563706 474577706 /nfs/dbraw/zinc/57/77/06/474577706.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290563706 474577709 /nfs/dbraw/zinc/57/77/09/474577709.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290563717 474577792 /nfs/dbraw/zinc/57/77/92/474577792.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290563717 474577796 /nfs/dbraw/zinc/57/77/96/474577796.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 2 1 326.488 2.953 20 30 EFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290563717 474577798 /nfs/dbraw/zinc/57/77/98/474577798.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 2 1 326.488 2.953 20 30 EFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746871 474594822 /nfs/dbraw/zinc/59/48/22/474594822.db2.gz KLPGANVMBFCTIJ-GOSISDBHSA-N 2 1 344.503 2.627 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000267424240 474667709 /nfs/dbraw/zinc/66/77/09/474667709.db2.gz LFBUDIXDGLBGQD-HNNXBMFYSA-N 2 1 326.444 2.942 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000267424240 474667719 /nfs/dbraw/zinc/66/77/19/474667719.db2.gz LFBUDIXDGLBGQD-HNNXBMFYSA-N 2 1 326.444 2.942 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000267424242 474668296 /nfs/dbraw/zinc/66/82/96/474668296.db2.gz LFBUDIXDGLBGQD-OAHLLOKOSA-N 2 1 326.444 2.942 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000267424242 474668308 /nfs/dbraw/zinc/66/83/08/474668308.db2.gz LFBUDIXDGLBGQD-OAHLLOKOSA-N 2 1 326.444 2.942 20 30 EFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339014322 474835226 /nfs/dbraw/zinc/83/52/26/474835226.db2.gz RFFOQTZXAVWEGI-AZUAARDMSA-N 2 1 332.536 2.807 20 30 EFEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339014322 474835233 /nfs/dbraw/zinc/83/52/33/474835233.db2.gz RFFOQTZXAVWEGI-AZUAARDMSA-N 3 1 332.536 2.807 20 30 EFEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339014322 474835239 /nfs/dbraw/zinc/83/52/39/474835239.db2.gz RFFOQTZXAVWEGI-AZUAARDMSA-N 3 1 332.536 2.807 20 30 EFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000341111042 474984830 /nfs/dbraw/zinc/98/48/30/474984830.db2.gz VRPOSRDFLYFNJA-IBGZPJMESA-N 2 1 348.535 2.591 20 30 EFEDMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCC1 ZINC000285461279 475025499 /nfs/dbraw/zinc/02/54/99/475025499.db2.gz AHOBGXGPSAOVBR-UHFFFAOYSA-N 2 1 326.488 2.991 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000294544158 475072144 /nfs/dbraw/zinc/07/21/44/475072144.db2.gz ASZPCLAAKQMBKO-NRFANRHFSA-N 2 1 337.467 2.919 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000294544158 475072155 /nfs/dbraw/zinc/07/21/55/475072155.db2.gz ASZPCLAAKQMBKO-NRFANRHFSA-N 2 1 337.467 2.919 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000294868743 475089034 /nfs/dbraw/zinc/08/90/34/475089034.db2.gz CLIUGPVLVSYVMX-INIZCTEOSA-N 2 1 330.476 2.822 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000294868743 475089042 /nfs/dbraw/zinc/08/90/42/475089042.db2.gz CLIUGPVLVSYVMX-INIZCTEOSA-N 2 1 330.476 2.822 20 30 EFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330240708 475216934 /nfs/dbraw/zinc/21/69/34/475216934.db2.gz WBDUFPHXDWJXRE-ATLSCFEFSA-N 2 1 337.508 2.584 20 30 EFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919040 475261218 /nfs/dbraw/zinc/26/12/18/475261218.db2.gz TZCIGMGAPQBFLV-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919040 475261228 /nfs/dbraw/zinc/26/12/28/475261228.db2.gz TZCIGMGAPQBFLV-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919040 475261235 /nfs/dbraw/zinc/26/12/35/475261235.db2.gz TZCIGMGAPQBFLV-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000357919040 475261245 /nfs/dbraw/zinc/26/12/45/475261245.db2.gz TZCIGMGAPQBFLV-AWEZNQCLSA-N 2 1 334.489 2.612 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922456 475357980 /nfs/dbraw/zinc/35/79/80/475357980.db2.gz CPUOPENTWNZCGN-YLAKUSLOSA-N 2 1 348.535 2.672 20 30 EFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922456 475357983 /nfs/dbraw/zinc/35/79/83/475357983.db2.gz CPUOPENTWNZCGN-YLAKUSLOSA-N 2 1 348.535 2.672 20 30 EFEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371129 /nfs/dbraw/zinc/37/11/29/475371129.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371135 /nfs/dbraw/zinc/37/11/35/475371135.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371140 /nfs/dbraw/zinc/37/11/40/475371140.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 2 1 340.475 2.696 20 30 EFEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371147 /nfs/dbraw/zinc/37/11/47/475371147.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 2 1 340.475 2.696 20 30 EFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891535 476128441 /nfs/dbraw/zinc/12/84/41/476128441.db2.gz YPIQHAQZUNKZPZ-UWVAXJGDSA-N 2 1 326.488 2.577 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000350339062 476142153 /nfs/dbraw/zinc/14/21/53/476142153.db2.gz ZWDQTCGECOFXJV-GOSISDBHSA-N 2 1 340.471 2.744 20 30 EFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000350339062 476142157 /nfs/dbraw/zinc/14/21/57/476142157.db2.gz ZWDQTCGECOFXJV-GOSISDBHSA-N 2 1 340.471 2.744 20 30 EFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000357299685 476321139 /nfs/dbraw/zinc/32/11/39/476321139.db2.gz FUHIMOPGIBFLCY-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000357299685 476321144 /nfs/dbraw/zinc/32/11/44/476321144.db2.gz FUHIMOPGIBFLCY-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000357299685 476321147 /nfs/dbraw/zinc/32/11/47/476321147.db2.gz FUHIMOPGIBFLCY-LJQANCHMSA-N 2 1 327.472 2.991 20 30 EFEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377633975 476490925 /nfs/dbraw/zinc/49/09/25/476490925.db2.gz WDYNVRYPAMKLNU-FQEVSTJZSA-N 2 1 343.515 2.852 20 30 EFEDMP CC[N@H+]1CC[C@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218184 476511533 /nfs/dbraw/zinc/51/15/33/476511533.db2.gz ABTKATLMSHMIBB-WBVHZDCISA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218184 476511552 /nfs/dbraw/zinc/51/15/52/476511552.db2.gz ABTKATLMSHMIBB-WBVHZDCISA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218184 476511560 /nfs/dbraw/zinc/51/15/60/476511560.db2.gz ABTKATLMSHMIBB-WBVHZDCISA-N 2 1 331.460 2.750 20 30 EFEDMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218180 476512193 /nfs/dbraw/zinc/51/21/93/476512193.db2.gz ABTKATLMSHMIBB-NVXWUHKLSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218180 476512213 /nfs/dbraw/zinc/51/22/13/476512213.db2.gz ABTKATLMSHMIBB-NVXWUHKLSA-N 2 1 331.460 2.750 20 30 EFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218180 476512218 /nfs/dbraw/zinc/51/22/18/476512218.db2.gz ABTKATLMSHMIBB-NVXWUHKLSA-N 2 1 331.460 2.750 20 30 EFEDMP C#CCCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378408915 476707304 /nfs/dbraw/zinc/70/73/04/476707304.db2.gz YGUBQWPDKNJFBO-UHFFFAOYSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981436 476878383 /nfs/dbraw/zinc/87/83/83/476878383.db2.gz SURFNCYAELCFKN-PZJWPPBQSA-N 2 1 341.499 2.872 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000422986014 476879670 /nfs/dbraw/zinc/87/96/70/476879670.db2.gz GILXWLNUVLLKLF-QRVBRYPASA-N 2 1 345.512 2.538 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400367604 476888835 /nfs/dbraw/zinc/88/88/35/476888835.db2.gz SFQUWRMPMRKBLJ-INIZCTEOSA-N 2 1 337.508 2.567 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400367604 476888842 /nfs/dbraw/zinc/88/88/42/476888842.db2.gz SFQUWRMPMRKBLJ-INIZCTEOSA-N 2 1 337.508 2.567 20 30 EFEDMP C[C@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000423351337 477003021 /nfs/dbraw/zinc/00/30/21/477003021.db2.gz YVDIHGYSEGSAEB-FQEVSTJZSA-N 3 1 326.488 2.502 20 30 EFEDMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000376387402 477310366 /nfs/dbraw/zinc/31/03/66/477310366.db2.gz QLTJLGMSYKHBSS-UHFFFAOYSA-N 2 1 340.471 2.695 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371471196 477338905 /nfs/dbraw/zinc/33/89/05/477338905.db2.gz RURSJVOIRHRYDZ-MCYKXBRJSA-N 2 1 343.471 2.661 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371471196 477338916 /nfs/dbraw/zinc/33/89/16/477338916.db2.gz RURSJVOIRHRYDZ-MCYKXBRJSA-N 2 1 343.471 2.661 20 30 EFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424285597 477356809 /nfs/dbraw/zinc/35/68/09/477356809.db2.gz FZWMLMSBLDYOKO-MRXNPFEDSA-N 2 1 329.488 2.938 20 30 EFEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000377275806 477720476 /nfs/dbraw/zinc/72/04/76/477720476.db2.gz BMRCTUKDIITJDO-UHFFFAOYSA-N 2 1 344.478 2.688 20 30 EFEDMP C=CCCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494576541 478016318 /nfs/dbraw/zinc/01/63/18/478016318.db2.gz AXAARISHIQQESW-UHFFFAOYSA-N 2 1 343.515 2.913 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429261043 478093982 /nfs/dbraw/zinc/09/39/82/478093982.db2.gz OOIIGKAQLOJYNG-QFBILLFUSA-N 2 1 347.507 2.600 20 30 EFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429261043 478093988 /nfs/dbraw/zinc/09/39/88/478093988.db2.gz OOIIGKAQLOJYNG-QFBILLFUSA-N 2 1 347.507 2.600 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495347133 478177481 /nfs/dbraw/zinc/17/74/81/478177481.db2.gz IOBHJJUCDGZRPY-UHFFFAOYSA-N 2 1 325.497 2.920 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495744394 478297704 /nfs/dbraw/zinc/29/77/04/478297704.db2.gz GYKHDKJGEKTBQD-OAHLLOKOSA-N 2 1 337.508 2.872 20 30 EFEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000524156256 478389761 /nfs/dbraw/zinc/38/97/61/478389761.db2.gz ZLBRETKEVZSKKD-MRXNPFEDSA-N 2 1 342.487 2.937 20 30 EFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000524156256 478389764 /nfs/dbraw/zinc/38/97/64/478389764.db2.gz ZLBRETKEVZSKKD-MRXNPFEDSA-N 2 1 342.487 2.937 20 30 EFEDMP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594502078 478413595 /nfs/dbraw/zinc/41/35/95/478413595.db2.gz CQUBHXYLKGKGHT-LJQANCHMSA-N 2 1 345.512 2.634 20 30 EFEDMP C=C[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000570813024 478453011 /nfs/dbraw/zinc/45/30/11/478453011.db2.gz CPNVQZZLWHYJHA-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491165582 478457151 /nfs/dbraw/zinc/45/71/51/478457151.db2.gz LXVRNHXGTMLXJV-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491165582 478457159 /nfs/dbraw/zinc/45/71/59/478457159.db2.gz LXVRNHXGTMLXJV-HNNXBMFYSA-N 2 1 335.879 2.910 20 30 EFEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000564856477 478834842 /nfs/dbraw/zinc/83/48/42/478834842.db2.gz LWCFMYDKKQAQME-SFHVURJKSA-N 2 1 326.444 2.694 20 30 EFEDMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598602866 478922063 /nfs/dbraw/zinc/92/20/63/478922063.db2.gz WKHZKYHILHDEDH-UHOSZYNNSA-N 2 1 329.488 2.787 20 30 EFEDMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598602864 478922431 /nfs/dbraw/zinc/92/24/31/478922431.db2.gz WKHZKYHILHDEDH-QXAKKESOSA-N 2 1 329.488 2.787 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598606960 478923388 /nfs/dbraw/zinc/92/33/88/478923388.db2.gz HBSIKBDGRUMLCY-NEWSRXKRSA-N 2 1 329.488 2.787 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000565358198 478987473 /nfs/dbraw/zinc/98/74/73/478987473.db2.gz MLDXGHYUOASXSC-MJGOQNOKSA-N 2 1 345.487 2.542 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000565358197 478987827 /nfs/dbraw/zinc/98/78/27/478987827.db2.gz MLDXGHYUOASXSC-IEBWSBKVSA-N 2 1 345.487 2.542 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967079 479100129 /nfs/dbraw/zinc/10/01/29/479100129.db2.gz HRUKNLIEXHEVQL-QRQLOZEOSA-N 2 1 329.488 2.645 20 30 EFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000567679953 479111286 /nfs/dbraw/zinc/11/12/86/479111286.db2.gz KICLPHSDIHBONY-LJQANCHMSA-N 2 1 332.488 2.673 20 30 EFEDMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994308 479119738 /nfs/dbraw/zinc/11/97/38/479119738.db2.gz JLLXRVKOZJAQGF-FQEVSTJZSA-N 2 1 340.515 2.844 20 30 EFEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602479066 479357753 /nfs/dbraw/zinc/35/77/53/479357753.db2.gz CXBPFHCZXKNCTB-UHFFFAOYSA-N 2 1 330.476 2.524 20 30 EFEDMP N#Cc1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000602604482 479418496 /nfs/dbraw/zinc/41/84/96/479418496.db2.gz QLBORHXVFXENGE-UHFFFAOYSA-N 2 1 348.450 2.880 20 30 EFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000575923495 479503681 /nfs/dbraw/zinc/50/36/81/479503681.db2.gz RMZNAQLXDYCDQQ-SJLPKXTDSA-N 2 1 340.475 2.591 20 30 EFEDMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593912128 479506259 /nfs/dbraw/zinc/50/62/59/479506259.db2.gz ASUGCZJKXMJGRK-SFNKJDCFSA-N 2 1 342.487 2.517 20 30 EFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3(CC#N)CC3)CC2)CC1 ZINC000602778221 479546280 /nfs/dbraw/zinc/54/62/80/479546280.db2.gz GRYOLEMOMXEMDK-UHFFFAOYSA-N 2 1 332.536 2.808 20 30 EFEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(CC#N)CC1 ZINC000602778221 479546287 /nfs/dbraw/zinc/54/62/87/479546287.db2.gz GRYOLEMOMXEMDK-UHFFFAOYSA-N 3 1 332.536 2.808 20 30 EFEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(CC#N)CC1 ZINC000602778221 479546291 /nfs/dbraw/zinc/54/62/91/479546291.db2.gz GRYOLEMOMXEMDK-UHFFFAOYSA-N 3 1 332.536 2.808 20 30 EFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000577602620 479594271 /nfs/dbraw/zinc/59/42/71/479594271.db2.gz HRJYWEHJMKWPKL-IBGZPJMESA-N 2 1 340.467 2.820 20 30 EFEDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000619673848 479854449 /nfs/dbraw/zinc/85/44/49/479854449.db2.gz OGSZLZSBHJEVOG-LJQANCHMSA-N 2 1 326.488 2.551 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000644532011 480420446 /nfs/dbraw/zinc/42/04/46/480420446.db2.gz QQYJHAPOZKBXSZ-AZUAARDMSA-N 2 1 346.515 2.865 20 30 EFEDMP C=CC[C@H](Cc1ccccc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630592845 480796668 /nfs/dbraw/zinc/79/66/68/480796668.db2.gz ZMQFSJGAKCSCSI-HXUWFJFHSA-N 2 1 339.487 2.604 20 30 EFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705491 481272830 /nfs/dbraw/zinc/27/28/30/481272830.db2.gz JKJXGEJGHBQLPJ-BJLQDIEVSA-N 2 1 330.472 2.970 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351493 482186515 /nfs/dbraw/zinc/18/65/15/482186515.db2.gz ALQLAVVOODDVCY-BXWFABGCSA-N 2 1 347.528 2.712 20 30 EFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351493 482186518 /nfs/dbraw/zinc/18/65/18/482186518.db2.gz ALQLAVVOODDVCY-BXWFABGCSA-N 2 1 347.528 2.712 20 30 EFEDMP C=CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239018 482386915 /nfs/dbraw/zinc/38/69/15/482386915.db2.gz BUVQQFPSVZIIBH-QUCCMNQESA-N 2 1 332.488 2.800 20 30 EFEDMP C=CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239018 482386921 /nfs/dbraw/zinc/38/69/21/482386921.db2.gz BUVQQFPSVZIIBH-QUCCMNQESA-N 2 1 332.488 2.800 20 30 EFEDMP COc1ccccc1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000170903789 534074663 /nfs/dbraw/zinc/07/46/63/534074663.db2.gz FOZVIVLZNXKMIA-INIZCTEOSA-N 2 1 332.492 2.754 20 30 EFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782686 534414005 /nfs/dbraw/zinc/41/40/05/534414005.db2.gz ORAZMYFPEBHMFY-MSOLQXFVSA-N 2 1 330.472 2.951 20 30 EFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782688 534414459 /nfs/dbraw/zinc/41/44/59/534414459.db2.gz ORAZMYFPEBHMFY-QZTJIDSGSA-N 2 1 330.472 2.951 20 30 EFEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841829 522677845 /nfs/dbraw/zinc/67/78/45/522677845.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841829 522677855 /nfs/dbraw/zinc/67/78/55/522677855.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841829 522677859 /nfs/dbraw/zinc/67/78/59/522677859.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 2 1 348.878 2.814 20 30 EFEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000160127613 524931087 /nfs/dbraw/zinc/93/10/87/524931087.db2.gz KRECIITYRBXVKZ-USXIJHARSA-N 2 1 330.451 2.738 20 30 EFEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC000160127613 524931096 /nfs/dbraw/zinc/93/10/96/524931096.db2.gz KRECIITYRBXVKZ-USXIJHARSA-N 2 1 330.451 2.738 20 30 EFEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176645563 526377692 /nfs/dbraw/zinc/37/76/92/526377692.db2.gz WHDANPRKEFUCNJ-SJORKVTESA-N 2 1 346.544 2.628 20 30 EFEDMP C=CCNC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161194208 526628350 /nfs/dbraw/zinc/62/83/50/526628350.db2.gz IRKFTAQTAMWTKZ-MRXNPFEDSA-N 2 1 344.503 2.567 20 30 EFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000177050752 527263286 /nfs/dbraw/zinc/26/32/86/527263286.db2.gz XOMPSOGHZPQBGU-HXUWFJFHSA-N 2 1 346.515 2.961 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600183 529059397 /nfs/dbraw/zinc/05/93/97/529059397.db2.gz XRHADSODGFOABI-LLVKDONJSA-N 2 1 330.354 2.796 20 30 EFEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@H](C(C)C)C1 ZINC000261708000 535262736 /nfs/dbraw/zinc/26/27/36/535262736.db2.gz GWIGIEORCSRQJA-RDJZCZTQSA-N 2 1 338.565 2.510 20 30 EFEDMP C=CC[NH+](CC=C)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655688414 546534226 /nfs/dbraw/zinc/53/42/26/546534226.db2.gz ZYYKKIKMUJAHBN-WOJBJXKFSA-N 2 1 335.536 2.528 20 30 EFEDMP C=CCCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389229 547141693 /nfs/dbraw/zinc/14/16/93/547141693.db2.gz TWLSJFOTZSXBSV-HKUYNNGSSA-N 2 1 339.487 2.997 20 30 EFEDMP CCn1ccc(C[NH+](C)CC#CC[N@H+](C)Cc2ccn(CC)c2)c1 ZINC000671243742 547548555 /nfs/dbraw/zinc/54/85/55/547548555.db2.gz SDKHNQHNUCIOBL-UHFFFAOYSA-N 2 1 326.488 2.897 20 30 EFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(C)c(C#N)c1=O ZINC000758218324 575863434 /nfs/dbraw/zinc/86/34/34/575863434.db2.gz CKLNWSCFKZPWNF-UHFFFAOYSA-N 2 1 338.455 2.570 20 30 EFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(C)c(C#N)c1=O ZINC000758218324 575863435 /nfs/dbraw/zinc/86/34/35/575863435.db2.gz CKLNWSCFKZPWNF-UHFFFAOYSA-N 2 1 338.455 2.570 20 30 EFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2ccnc2)nn1 ZINC000761839978 576218294 /nfs/dbraw/zinc/21/82/94/576218294.db2.gz WWNDHGIJKJXNNH-OAHLLOKOSA-N 2 1 347.426 2.582 20 30 EFEDMP C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-n2ccnc2)nn1 ZINC000761839978 576218296 /nfs/dbraw/zinc/21/82/96/576218296.db2.gz WWNDHGIJKJXNNH-OAHLLOKOSA-N 2 1 347.426 2.582 20 30 EFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762480830 576306451 /nfs/dbraw/zinc/30/64/51/576306451.db2.gz CRLPEPUXDHLVMA-IAGOWNOFSA-N 2 1 331.460 2.568 20 30 EFEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000763232339 576368460 /nfs/dbraw/zinc/36/84/60/576368460.db2.gz UJKPERSOYBFGAR-QFIPXVFZSA-N 2 1 349.478 2.888 20 30 EFEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514273 577368835 /nfs/dbraw/zinc/36/88/35/577368835.db2.gz IIYMSVATQHYDGB-HXUWFJFHSA-N 2 1 330.472 2.631 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001754561258 1249101814 /nfs/dbraw/zinc/10/18/14/1249101814.db2.gz NRKOSXLUZQYEGJ-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC2CC(C)(C)C2)CC1 ZINC001752229937 1249369541 /nfs/dbraw/zinc/36/95/41/1249369541.db2.gz PYLBOVYVSGOVQS-UHFFFAOYSA-N 2 1 347.547 2.596 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540391 1252062646 /nfs/dbraw/zinc/06/26/46/1252062646.db2.gz UYRHDVPMLZTHPL-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540391 1252062656 /nfs/dbraw/zinc/06/26/56/1252062656.db2.gz UYRHDVPMLZTHPL-MRXNPFEDSA-N 2 1 344.503 2.944 20 30 EFEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684485 1252168098 /nfs/dbraw/zinc/16/80/98/1252168098.db2.gz QCGCFVCERVSLIC-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684485 1252168102 /nfs/dbraw/zinc/16/81/02/1252168102.db2.gz QCGCFVCERVSLIC-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684485 1252168105 /nfs/dbraw/zinc/16/81/05/1252168105.db2.gz QCGCFVCERVSLIC-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=C(C)CN1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272680490 1252242423 /nfs/dbraw/zinc/24/24/23/1252242423.db2.gz XBNXBIQVAUZETB-UHFFFAOYSA-N 2 1 338.455 2.954 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574992 1253154222 /nfs/dbraw/zinc/15/42/22/1253154222.db2.gz NNIKBVLCWSLNHR-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574992 1253154227 /nfs/dbraw/zinc/15/42/27/1253154227.db2.gz NNIKBVLCWSLNHR-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574992 1253154230 /nfs/dbraw/zinc/15/42/30/1253154230.db2.gz NNIKBVLCWSLNHR-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332492 1253180555 /nfs/dbraw/zinc/18/05/55/1253180555.db2.gz COXITTHGNARKTM-WMZOPIPTSA-N 2 1 345.487 2.585 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945333737 1253183127 /nfs/dbraw/zinc/18/31/27/1253183127.db2.gz KIFFWXULDXNFKB-WBVHZDCISA-N 2 1 333.476 2.748 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995826609 1254749366 /nfs/dbraw/zinc/74/93/66/1254749366.db2.gz QQQIAUXSEXYAMW-HZPDHXFCSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299981 1255184566 /nfs/dbraw/zinc/18/45/66/1255184566.db2.gz HWULHVLJTYLFHY-BEFAXECRSA-N 2 1 339.499 2.602 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374840 1255258961 /nfs/dbraw/zinc/25/89/61/1255258961.db2.gz UFUBCYWJAYHSSX-INIZCTEOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436292 1255812998 /nfs/dbraw/zinc/81/29/98/1255812998.db2.gz UGCLZNIGIQQJQJ-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436292 1255813009 /nfs/dbraw/zinc/81/30/09/1255813009.db2.gz UGCLZNIGIQQJQJ-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436292 1255813018 /nfs/dbraw/zinc/81/30/18/1255813018.db2.gz UGCLZNIGIQQJQJ-QWFCFKBJSA-N 2 1 333.520 2.796 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435816 1255813618 /nfs/dbraw/zinc/81/36/18/1255813618.db2.gz BHDCFGKXAFAHRT-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435816 1255813633 /nfs/dbraw/zinc/81/36/33/1255813633.db2.gz BHDCFGKXAFAHRT-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435816 1255813652 /nfs/dbraw/zinc/81/36/52/1255813652.db2.gz BHDCFGKXAFAHRT-QKNQBKEWSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107451149 1255855728 /nfs/dbraw/zinc/85/57/28/1255855728.db2.gz PIFYRRAJQMFQLD-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451149 1255855742 /nfs/dbraw/zinc/85/57/42/1255855742.db2.gz PIFYRRAJQMFQLD-NLWGTHIKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107461248 1255897539 /nfs/dbraw/zinc/89/75/39/1255897539.db2.gz AUOZGSCQOAXIBE-UYAOXDASSA-N 2 1 345.531 2.942 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107487486 1255958528 /nfs/dbraw/zinc/95/85/28/1255958528.db2.gz UYEDRHVPCUPYPN-UYAOXDASSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547079 1256106617 /nfs/dbraw/zinc/10/66/17/1256106617.db2.gz ZOBCDWJMONXXGN-LZLYRXPVSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552425 1256117102 /nfs/dbraw/zinc/11/71/02/1256117102.db2.gz MXAXXDQLULXZEI-YLJYHZDGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552425 1256117109 /nfs/dbraw/zinc/11/71/09/1256117109.db2.gz MXAXXDQLULXZEI-YLJYHZDGSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587442 1256221403 /nfs/dbraw/zinc/22/14/03/1256221403.db2.gz PGKJLMIXSYVJJY-UYAOXDASSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107621349 1256319420 /nfs/dbraw/zinc/31/94/20/1256319420.db2.gz NHRADQOZIWJRBR-IEBWSBKVSA-N 2 1 330.476 2.588 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(CC)CC)CC1 ZINC000997150141 1257105415 /nfs/dbraw/zinc/10/54/15/1257105415.db2.gz VEOQTBWCSMNFOK-XLIONFOSSA-N 2 1 347.547 2.737 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(CC)CC)CC1 ZINC000997150141 1257105419 /nfs/dbraw/zinc/10/54/19/1257105419.db2.gz VEOQTBWCSMNFOK-XLIONFOSSA-N 2 1 347.547 2.737 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405695 1257125681 /nfs/dbraw/zinc/12/56/81/1257125681.db2.gz OYEHBWCLYXJFSD-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405695 1257125685 /nfs/dbraw/zinc/12/56/85/1257125685.db2.gz OYEHBWCLYXJFSD-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405695 1257125689 /nfs/dbraw/zinc/12/56/89/1257125689.db2.gz OYEHBWCLYXJFSD-WDSOQIARSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997277889 1257323186 /nfs/dbraw/zinc/32/31/86/1257323186.db2.gz YZWJRZUVCWFKOC-QAPCUYQASA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941091 1258768931 /nfs/dbraw/zinc/76/89/31/1258768931.db2.gz XHYFOJIRGSMWPJ-JKSUJKDBSA-N 2 1 330.476 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941091 1258768933 /nfs/dbraw/zinc/76/89/33/1258768933.db2.gz XHYFOJIRGSMWPJ-JKSUJKDBSA-N 2 1 330.476 2.697 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583864 1258787546 /nfs/dbraw/zinc/78/75/46/1258787546.db2.gz GEUMYKVIPRXQOD-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583864 1258787552 /nfs/dbraw/zinc/78/75/52/1258787552.db2.gz GEUMYKVIPRXQOD-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583864 1258787558 /nfs/dbraw/zinc/78/75/58/1258787558.db2.gz GEUMYKVIPRXQOD-GBESFXJTSA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009307 1258945099 /nfs/dbraw/zinc/94/50/99/1258945099.db2.gz WAQGGMUSZCGHCS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009307 1258945102 /nfs/dbraw/zinc/94/51/02/1258945102.db2.gz WAQGGMUSZCGHCS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009307 1258945108 /nfs/dbraw/zinc/94/51/08/1258945108.db2.gz WAQGGMUSZCGHCS-CEXWTWQISA-N 2 1 335.536 2.996 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018364 1258962500 /nfs/dbraw/zinc/96/25/00/1258962500.db2.gz OQYZFEZUNPJNGB-IXDOHACOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998018364 1258962503 /nfs/dbraw/zinc/96/25/03/1258962503.db2.gz OQYZFEZUNPJNGB-IXDOHACOSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998018364 1258962507 /nfs/dbraw/zinc/96/25/07/1258962507.db2.gz OQYZFEZUNPJNGB-IXDOHACOSA-N 2 1 341.927 2.782 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020292 1258971773 /nfs/dbraw/zinc/97/17/73/1258971773.db2.gz CDWQENZQGHARQI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020292 1258971775 /nfs/dbraw/zinc/97/17/75/1258971775.db2.gz CDWQENZQGHARQI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020292 1258971777 /nfs/dbraw/zinc/97/17/77/1258971777.db2.gz CDWQENZQGHARQI-VQTJNVASSA-N 2 1 347.547 2.691 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021701 1258973805 /nfs/dbraw/zinc/97/38/05/1258973805.db2.gz HBZPOMDEXLYVMM-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998021701 1258973811 /nfs/dbraw/zinc/97/38/11/1258973811.db2.gz HBZPOMDEXLYVMM-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021701 1258973817 /nfs/dbraw/zinc/97/38/17/1258973817.db2.gz HBZPOMDEXLYVMM-OALUTQOASA-N 2 1 335.536 2.853 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998050169 1259031764 /nfs/dbraw/zinc/03/17/64/1259031764.db2.gz KRGQZKSLZWXOEA-GOSISDBHSA-N 2 1 338.455 2.674 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093255 1259101666 /nfs/dbraw/zinc/10/16/66/1259101666.db2.gz HCJVKWPUAVOWGN-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998093255 1259101671 /nfs/dbraw/zinc/10/16/71/1259101671.db2.gz HCJVKWPUAVOWGN-ZWKOTPCHSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112311 1259124643 /nfs/dbraw/zinc/12/46/43/1259124643.db2.gz UDSTYYUIJOIODZ-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998112311 1259124647 /nfs/dbraw/zinc/12/46/47/1259124647.db2.gz UDSTYYUIJOIODZ-ROUUACIJSA-N 2 1 344.503 2.643 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165576 1259181432 /nfs/dbraw/zinc/18/14/32/1259181432.db2.gz MTXJPGGUMZSROC-FQEVSTJZSA-N 2 1 347.547 2.833 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC000998199751 1259221998 /nfs/dbraw/zinc/22/19/98/1259221998.db2.gz RLMUFLXDBVJOEQ-HXUWFJFHSA-N 2 1 347.547 2.835 20 30 EFEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998769429 1259926693 /nfs/dbraw/zinc/92/66/93/1259926693.db2.gz LRDHGGYVCIOSCS-LRYGQEGESA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000262429 1261342963 /nfs/dbraw/zinc/34/29/63/1261342963.db2.gz YUIBQFPPTAKIQB-AEFFLSMTSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586495 1266416521 /nfs/dbraw/zinc/41/65/21/1266416521.db2.gz KXUFVUQRBRHIEN-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586495 1266416523 /nfs/dbraw/zinc/41/65/23/1266416523.db2.gz KXUFVUQRBRHIEN-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586495 1266416526 /nfs/dbraw/zinc/41/65/26/1266416526.db2.gz KXUFVUQRBRHIEN-HSALFYBXSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946900122 1261632808 /nfs/dbraw/zinc/63/28/08/1261632808.db2.gz ZGJFYHQEZHESSN-BGYRXZFFSA-N 2 1 341.499 2.718 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902387 1261663043 /nfs/dbraw/zinc/66/30/43/1261663043.db2.gz NCTSRQAZQPDLIJ-KDURUIRLSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901962 1261674314 /nfs/dbraw/zinc/67/43/14/1261674314.db2.gz JDWNCCULGSIUAM-KDURUIRLSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)N(C)C ZINC001032803299 1261844123 /nfs/dbraw/zinc/84/41/23/1261844123.db2.gz PRFAPKDTSMMMSV-GBESFXJTSA-N 2 1 327.472 2.541 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032803299 1261844125 /nfs/dbraw/zinc/84/41/25/1261844125.db2.gz PRFAPKDTSMMMSV-GBESFXJTSA-N 2 1 327.472 2.541 20 30 EFEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001355544 1262131978 /nfs/dbraw/zinc/13/19/78/1262131978.db2.gz YDCDALGLSHEQKJ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001355544 1262131983 /nfs/dbraw/zinc/13/19/83/1262131983.db2.gz YDCDALGLSHEQKJ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001355544 1262131985 /nfs/dbraw/zinc/13/19/85/1262131985.db2.gz YDCDALGLSHEQKJ-LJQANCHMSA-N 2 1 333.520 2.965 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699603 1263289201 /nfs/dbraw/zinc/28/92/01/1263289201.db2.gz JNQWEGZZNZYKJH-QRQLOZEOSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356643 1263852464 /nfs/dbraw/zinc/85/24/64/1263852464.db2.gz SRIDSFGDSXLRGJ-RCCFBDPRSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356643 1263852481 /nfs/dbraw/zinc/85/24/81/1263852481.db2.gz SRIDSFGDSXLRGJ-RCCFBDPRSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469566 1263940822 /nfs/dbraw/zinc/94/08/22/1263940822.db2.gz BFYJCKNNWZVVFY-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469566 1263940831 /nfs/dbraw/zinc/94/08/31/1263940831.db2.gz BFYJCKNNWZVVFY-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469566 1263940837 /nfs/dbraw/zinc/94/08/37/1263940837.db2.gz BFYJCKNNWZVVFY-SJLPKXTDSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663604 1264169287 /nfs/dbraw/zinc/16/92/87/1264169287.db2.gz KKDGSTGAIZJFMZ-WOJBJXKFSA-N 2 1 341.499 2.513 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700557 1264243388 /nfs/dbraw/zinc/24/33/88/1264243388.db2.gz MUUWTUGMLNGXMO-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700557 1264243393 /nfs/dbraw/zinc/24/33/93/1264243393.db2.gz MUUWTUGMLNGXMO-IAGOWNOFSA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723510 1264269240 /nfs/dbraw/zinc/26/92/40/1264269240.db2.gz LNCPBTOAOQHOJZ-WOJBJXKFSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084769218 1264368234 /nfs/dbraw/zinc/36/82/34/1264368234.db2.gz ZXEBFDVQSTYETF-QFUCXCTJSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769218 1264368249 /nfs/dbraw/zinc/36/82/49/1264368249.db2.gz ZXEBFDVQSTYETF-QFUCXCTJSA-N 2 1 341.499 2.572 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010705 1264453640 /nfs/dbraw/zinc/45/36/40/1264453640.db2.gz HZNSYMUYSXCEBP-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010705 1264453644 /nfs/dbraw/zinc/45/36/44/1264453644.db2.gz HZNSYMUYSXCEBP-INIZCTEOSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003011177 1264455376 /nfs/dbraw/zinc/45/53/76/1264455376.db2.gz MZTMJKHUDYDOCG-KRWDZBQOSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001003011177 1264455381 /nfs/dbraw/zinc/45/53/81/1264455381.db2.gz MZTMJKHUDYDOCG-KRWDZBQOSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001003011177 1264455386 /nfs/dbraw/zinc/45/53/86/1264455386.db2.gz MZTMJKHUDYDOCG-KRWDZBQOSA-N 2 1 339.911 2.727 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853535 1264539560 /nfs/dbraw/zinc/53/95/60/1264539560.db2.gz XVHKASOLCZERMY-AQNXPRMDSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938983 1264713115 /nfs/dbraw/zinc/71/31/15/1264713115.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938983 1264713123 /nfs/dbraw/zinc/71/31/23/1264713123.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938983 1264713126 /nfs/dbraw/zinc/71/31/26/1264713126.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944591 1264717063 /nfs/dbraw/zinc/71/70/63/1264717063.db2.gz YEEDNUCSHGHLDO-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944591 1264717074 /nfs/dbraw/zinc/71/70/74/1264717074.db2.gz YEEDNUCSHGHLDO-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944591 1264717078 /nfs/dbraw/zinc/71/70/78/1264717078.db2.gz YEEDNUCSHGHLDO-KURKYZTESA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764376 /nfs/dbraw/zinc/76/43/76/1264764376.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764385 /nfs/dbraw/zinc/76/43/85/1264764385.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764392 /nfs/dbraw/zinc/76/43/92/1264764392.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958361 1264764715 /nfs/dbraw/zinc/76/47/15/1264764715.db2.gz WMVWBYYESSXJFW-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958361 1264764722 /nfs/dbraw/zinc/76/47/22/1264764722.db2.gz WMVWBYYESSXJFW-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958361 1264764729 /nfs/dbraw/zinc/76/47/29/1264764729.db2.gz WMVWBYYESSXJFW-QYZOEREBSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978521 1264808614 /nfs/dbraw/zinc/80/86/14/1264808614.db2.gz WKVHYVBXRBVYOO-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978521 1264808631 /nfs/dbraw/zinc/80/86/31/1264808631.db2.gz WKVHYVBXRBVYOO-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978521 1264808649 /nfs/dbraw/zinc/80/86/49/1264808649.db2.gz WKVHYVBXRBVYOO-AABGKKOBSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978190 1264808803 /nfs/dbraw/zinc/80/88/03/1264808803.db2.gz BFRBJAQZBOPPNA-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978190 1264808825 /nfs/dbraw/zinc/80/88/25/1264808825.db2.gz BFRBJAQZBOPPNA-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978190 1264808842 /nfs/dbraw/zinc/80/88/42/1264808842.db2.gz BFRBJAQZBOPPNA-QYZOEREBSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199347 1266781080 /nfs/dbraw/zinc/78/10/80/1266781080.db2.gz HMNYPEBRJHAIDQ-BHIYHBOVSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004370033 1266789544 /nfs/dbraw/zinc/78/95/44/1266789544.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004370033 1266789555 /nfs/dbraw/zinc/78/95/55/1266789555.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004370033 1266789568 /nfs/dbraw/zinc/78/95/68/1266789568.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004370034 1266789749 /nfs/dbraw/zinc/78/97/49/1266789749.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004370034 1266789761 /nfs/dbraw/zinc/78/97/61/1266789761.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004370034 1266789778 /nfs/dbraw/zinc/78/97/78/1266789778.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085217695 1266841147 /nfs/dbraw/zinc/84/11/47/1266841147.db2.gz MFVXOVNBQPZPCV-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085217696 1266842100 /nfs/dbraw/zinc/84/21/00/1266842100.db2.gz MFVXOVNBQPZPCV-OAGGEKHMSA-N 2 1 327.900 2.630 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085225443 1266860922 /nfs/dbraw/zinc/86/09/22/1266860922.db2.gz WDNAPRAVYCWXJF-GUDVDZBRSA-N 2 1 333.520 2.987 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085230353 1266892746 /nfs/dbraw/zinc/89/27/46/1266892746.db2.gz RIJWFROSWCJDEU-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085230353 1266892764 /nfs/dbraw/zinc/89/27/64/1266892764.db2.gz RIJWFROSWCJDEU-AQNXPRMDSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004438976 1266999968 /nfs/dbraw/zinc/99/99/68/1266999968.db2.gz XTWGSJQBVQHFNC-OALUTQOASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438976 1266999973 /nfs/dbraw/zinc/99/99/73/1266999973.db2.gz XTWGSJQBVQHFNC-OALUTQOASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004438976 1266999978 /nfs/dbraw/zinc/99/99/78/1266999978.db2.gz XTWGSJQBVQHFNC-OALUTQOASA-N 2 1 333.520 2.748 20 30 EFEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444915 1267015826 /nfs/dbraw/zinc/01/58/26/1267015826.db2.gz CENQQWCKWBDFNO-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444915 1267015832 /nfs/dbraw/zinc/01/58/32/1267015832.db2.gz CENQQWCKWBDFNO-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444915 1267015835 /nfs/dbraw/zinc/01/58/35/1267015835.db2.gz CENQQWCKWBDFNO-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004445887 1267019496 /nfs/dbraw/zinc/01/94/96/1267019496.db2.gz JJSATOMJPNCZGS-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004445887 1267019510 /nfs/dbraw/zinc/01/95/10/1267019510.db2.gz JJSATOMJPNCZGS-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004445887 1267019525 /nfs/dbraw/zinc/01/95/25/1267019525.db2.gz JJSATOMJPNCZGS-OALUTQOASA-N 2 1 333.520 2.750 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004456367 1267085324 /nfs/dbraw/zinc/08/53/24/1267085324.db2.gz FDMVDXGTIGGERJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456367 1267085331 /nfs/dbraw/zinc/08/53/31/1267085331.db2.gz FDMVDXGTIGGERJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456367 1267085337 /nfs/dbraw/zinc/08/53/37/1267085337.db2.gz FDMVDXGTIGGERJ-UXHICEINSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458697 1267095836 /nfs/dbraw/zinc/09/58/36/1267095836.db2.gz QDWACVPJHMAVLY-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004465278 1267105830 /nfs/dbraw/zinc/10/58/30/1267105830.db2.gz RJWLVSHZTZMRKF-MOPGFXCFSA-N 2 1 335.536 2.852 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946615569 1267125160 /nfs/dbraw/zinc/12/51/60/1267125160.db2.gz OCZHJMWOBHBFLI-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615569 1267125166 /nfs/dbraw/zinc/12/51/66/1267125166.db2.gz OCZHJMWOBHBFLI-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946615569 1267125171 /nfs/dbraw/zinc/12/51/71/1267125171.db2.gz OCZHJMWOBHBFLI-OTWHNJEPSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004480527 1267135718 /nfs/dbraw/zinc/13/57/18/1267135718.db2.gz KHEKOSOZZCBKJX-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480527 1267135723 /nfs/dbraw/zinc/13/57/23/1267135723.db2.gz KHEKOSOZZCBKJX-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004480527 1267135727 /nfs/dbraw/zinc/13/57/27/1267135727.db2.gz KHEKOSOZZCBKJX-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621092 1267188245 /nfs/dbraw/zinc/18/82/45/1267188245.db2.gz JUEPSWJAZIQXKI-HDICACEKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004545370 1267264547 /nfs/dbraw/zinc/26/45/47/1267264547.db2.gz ZGZXIORHTGWPMA-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004545621 1267265809 /nfs/dbraw/zinc/26/58/09/1267265809.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004545621 1267265821 /nfs/dbraw/zinc/26/58/21/1267265821.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004545621 1267265827 /nfs/dbraw/zinc/26/58/27/1267265827.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004545619 1267266868 /nfs/dbraw/zinc/26/68/68/1267266868.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004545619 1267266871 /nfs/dbraw/zinc/26/68/71/1267266871.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004545619 1267266878 /nfs/dbraw/zinc/26/68/78/1267266878.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004547023 1267268785 /nfs/dbraw/zinc/26/87/85/1267268785.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004547023 1267268791 /nfs/dbraw/zinc/26/87/91/1267268791.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004547023 1267268797 /nfs/dbraw/zinc/26/87/97/1267268797.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276480 /nfs/dbraw/zinc/27/64/80/1267276480.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276489 /nfs/dbraw/zinc/27/64/89/1267276489.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276493 /nfs/dbraw/zinc/27/64/93/1267276493.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631660 1267343161 /nfs/dbraw/zinc/34/31/61/1267343161.db2.gz SHLDYTSEWBLMPZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631660 1267343167 /nfs/dbraw/zinc/34/31/67/1267343167.db2.gz SHLDYTSEWBLMPZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631660 1267343177 /nfs/dbraw/zinc/34/31/77/1267343177.db2.gz SHLDYTSEWBLMPZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004594619 1267358704 /nfs/dbraw/zinc/35/87/04/1267358704.db2.gz BAZRJNDHJDJARV-SFHVURJKSA-N 2 1 342.487 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148081 1267398475 /nfs/dbraw/zinc/39/84/75/1267398475.db2.gz BOICOQDJZVKPIT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033148081 1267398481 /nfs/dbraw/zinc/39/84/81/1267398481.db2.gz BOICOQDJZVKPIT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033148081 1267398489 /nfs/dbraw/zinc/39/84/89/1267398489.db2.gz BOICOQDJZVKPIT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151603 1267452668 /nfs/dbraw/zinc/45/26/68/1267452668.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 1 327.900 2.535 20 30 EFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]2C1 ZINC000946651895 1267523971 /nfs/dbraw/zinc/52/39/71/1267523971.db2.gz HRTOTWONNFPYCA-CALCHBBNSA-N 2 1 338.455 2.613 20 30 EFEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100827 1267675890 /nfs/dbraw/zinc/67/58/90/1267675890.db2.gz HFBVOVZPQCIVAZ-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639972 1268097260 /nfs/dbraw/zinc/09/72/60/1268097260.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639972 1268097271 /nfs/dbraw/zinc/09/72/71/1268097271.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639972 1268097280 /nfs/dbraw/zinc/09/72/80/1268097280.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085648351 1268133447 /nfs/dbraw/zinc/13/34/47/1268133447.db2.gz JZYQJJJBMCMASB-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085648351 1268133452 /nfs/dbraw/zinc/13/34/52/1268133452.db2.gz JZYQJJJBMCMASB-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085648351 1268133461 /nfs/dbraw/zinc/13/34/61/1268133461.db2.gz JZYQJJJBMCMASB-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085648351 1268133464 /nfs/dbraw/zinc/13/34/64/1268133464.db2.gz JZYQJJJBMCMASB-PMACEKPBSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213177 1268221496 /nfs/dbraw/zinc/22/14/96/1268221496.db2.gz HVFPJCWTFCIGNU-QGZVFWFLSA-N 2 1 326.444 2.755 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820410 1268655771 /nfs/dbraw/zinc/65/57/71/1268655771.db2.gz ZHCYVHMHPSLTRK-FQEVSTJZSA-N 2 1 343.515 2.903 20 30 EFEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128882 1268720438 /nfs/dbraw/zinc/72/04/38/1268720438.db2.gz ZCVNRWNRLUBECT-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946807734 1268769982 /nfs/dbraw/zinc/76/99/82/1268769982.db2.gz CXBRQXXMCAMSAV-BGYRXZFFSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818400 1268860689 /nfs/dbraw/zinc/86/06/89/1268860689.db2.gz JOSOSPIUWNCRSV-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818400 1268860702 /nfs/dbraw/zinc/86/07/02/1268860702.db2.gz JOSOSPIUWNCRSV-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818400 1268860710 /nfs/dbraw/zinc/86/07/10/1268860710.db2.gz JOSOSPIUWNCRSV-ZGXWSNOMSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366406 1268948440 /nfs/dbraw/zinc/94/84/40/1268948440.db2.gz WZCUKLNCWLXDFY-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417630 1269090518 /nfs/dbraw/zinc/09/05/18/1269090518.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417630 1269090523 /nfs/dbraw/zinc/09/05/23/1269090523.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417630 1269090529 /nfs/dbraw/zinc/09/05/29/1269090529.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507341 1269280509 /nfs/dbraw/zinc/28/05/09/1269280509.db2.gz FKBOKVBGEVKYSJ-LJQANCHMSA-N 2 1 329.488 2.861 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554145 1269445285 /nfs/dbraw/zinc/44/52/85/1269445285.db2.gz ONBRZLBMWOQODF-LJQANCHMSA-N 2 1 338.455 2.985 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994240 1269448609 /nfs/dbraw/zinc/44/86/09/1269448609.db2.gz GMJOHZQOMMWQLN-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685099 1269795419 /nfs/dbraw/zinc/79/54/19/1269795419.db2.gz KQKQYJOUKGZCGU-GOSISDBHSA-N 2 1 329.488 2.861 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832403 1270294352 /nfs/dbraw/zinc/29/43/52/1270294352.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832403 1270294361 /nfs/dbraw/zinc/29/43/61/1270294361.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832403 1270294365 /nfs/dbraw/zinc/29/43/65/1270294365.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855013 1270369073 /nfs/dbraw/zinc/36/90/73/1270369073.db2.gz GACHVWFATNSJGQ-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855013 1270369085 /nfs/dbraw/zinc/36/90/85/1270369085.db2.gz GACHVWFATNSJGQ-IAGOWNOFSA-N 2 1 330.476 2.650 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856776 1270402620 /nfs/dbraw/zinc/40/26/20/1270402620.db2.gz WGAAJEAUUYDWFI-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856776 1270402626 /nfs/dbraw/zinc/40/26/26/1270402626.db2.gz WGAAJEAUUYDWFI-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856776 1270402633 /nfs/dbraw/zinc/40/26/33/1270402633.db2.gz WGAAJEAUUYDWFI-RBUKOAKNSA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033930768 1270594755 /nfs/dbraw/zinc/59/47/55/1270594755.db2.gz AIVUPIIPUNJCAP-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033930768 1270594759 /nfs/dbraw/zinc/59/47/59/1270594759.db2.gz AIVUPIIPUNJCAP-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033930768 1270594765 /nfs/dbraw/zinc/59/47/65/1270594765.db2.gz AIVUPIIPUNJCAP-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000743491342 1270609040 /nfs/dbraw/zinc/60/90/40/1270609040.db2.gz GBNKJLYGLVGOLE-GOSISDBHSA-N 2 1 347.890 2.547 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250855 1270681708 /nfs/dbraw/zinc/68/17/08/1270681708.db2.gz POCLEROIXJGBQB-IXDOHACOSA-N 2 1 341.927 2.878 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957101 1270694566 /nfs/dbraw/zinc/69/45/66/1270694566.db2.gz JBYXBLDLLRZLCK-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033957101 1270694572 /nfs/dbraw/zinc/69/45/72/1270694572.db2.gz JBYXBLDLLRZLCK-QZTJIDSGSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939131 1270701871 /nfs/dbraw/zinc/70/18/71/1270701871.db2.gz GAXUKRAIISKMJW-IEBWSBKVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939131 1270701881 /nfs/dbraw/zinc/70/18/81/1270701881.db2.gz GAXUKRAIISKMJW-IEBWSBKVSA-N 2 1 344.503 2.643 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012541 1270828476 /nfs/dbraw/zinc/82/84/76/1270828476.db2.gz PRPNJSDRXNUUQF-HXUWFJFHSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086367061 1271162174 /nfs/dbraw/zinc/16/21/74/1271162174.db2.gz WLAJCEOCLHHNRQ-KZNAEPCWSA-N 2 1 333.520 2.702 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210749 1271363933 /nfs/dbraw/zinc/36/39/33/1271363933.db2.gz JIYSHOITGAKHQO-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210749 1271363942 /nfs/dbraw/zinc/36/39/42/1271363942.db2.gz JIYSHOITGAKHQO-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210749 1271363946 /nfs/dbraw/zinc/36/39/46/1271363946.db2.gz JIYSHOITGAKHQO-RTBURBONSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228179 1271390237 /nfs/dbraw/zinc/39/02/37/1271390237.db2.gz CLOPWEXENULMID-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228179 1271390245 /nfs/dbraw/zinc/39/02/45/1271390245.db2.gz CLOPWEXENULMID-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249617 1271424644 /nfs/dbraw/zinc/42/46/44/1271424644.db2.gz LZTBIWQXNIZWEN-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249617 1271424647 /nfs/dbraw/zinc/42/46/47/1271424647.db2.gz LZTBIWQXNIZWEN-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249617 1271424653 /nfs/dbraw/zinc/42/46/53/1271424653.db2.gz LZTBIWQXNIZWEN-IEBWSBKVSA-N 2 1 333.520 2.940 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034250572 1271425764 /nfs/dbraw/zinc/42/57/64/1271425764.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034250251 1271426006 /nfs/dbraw/zinc/42/60/06/1271426006.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260829 1271471970 /nfs/dbraw/zinc/47/19/70/1271471970.db2.gz OPHRKPPEUKNXIK-MRXNPFEDSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260829 1271471974 /nfs/dbraw/zinc/47/19/74/1271471974.db2.gz OPHRKPPEUKNXIK-MRXNPFEDSA-N 2 1 339.911 2.586 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086455837 1271568517 /nfs/dbraw/zinc/56/85/17/1271568517.db2.gz GBOZXDOJHNHMJK-LNLFQRSKSA-N 2 1 333.520 2.844 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034366142 1271786675 /nfs/dbraw/zinc/78/66/75/1271786675.db2.gz XEOCVVIFIFWHLX-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366142 1271786685 /nfs/dbraw/zinc/78/66/85/1271786685.db2.gz XEOCVVIFIFWHLX-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366142 1271786693 /nfs/dbraw/zinc/78/66/93/1271786693.db2.gz XEOCVVIFIFWHLX-QZTJIDSGSA-N 2 1 344.503 2.691 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108325038 1272247125 /nfs/dbraw/zinc/24/71/25/1272247125.db2.gz KLLRINFXTWJAMK-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108325038 1272247130 /nfs/dbraw/zinc/24/71/30/1272247130.db2.gz KLLRINFXTWJAMK-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108325038 1272247136 /nfs/dbraw/zinc/24/71/36/1272247136.db2.gz KLLRINFXTWJAMK-LJQANCHMSA-N 2 1 341.540 2.506 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545090 1272261712 /nfs/dbraw/zinc/26/17/12/1272261712.db2.gz ORQQGNPCYPZPHI-KRWDZBQOSA-N 2 1 345.487 2.729 20 30 EFEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662386 1272469873 /nfs/dbraw/zinc/46/98/73/1272469873.db2.gz GYLIWGVSUXWPCZ-LNLFQRSKSA-N 2 1 333.520 2.987 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001034674554 1272505179 /nfs/dbraw/zinc/50/51/79/1272505179.db2.gz JNHLPIIUMKVEDN-QAETUUGQSA-N 2 1 339.911 2.773 20 30 EFEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005638716 1272650742 /nfs/dbraw/zinc/65/07/42/1272650742.db2.gz CEZXILLESFEEQJ-IBGZPJMESA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169125930 1272680830 /nfs/dbraw/zinc/68/08/30/1272680830.db2.gz NXIPIUMYHFEOTJ-XFKSJGNHSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125930 1272680839 /nfs/dbraw/zinc/68/08/39/1272680839.db2.gz NXIPIUMYHFEOTJ-XFKSJGNHSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169125930 1272680849 /nfs/dbraw/zinc/68/08/49/1272680849.db2.gz NXIPIUMYHFEOTJ-XFKSJGNHSA-N 2 1 347.503 2.722 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133000 1272692691 /nfs/dbraw/zinc/69/26/91/1272692691.db2.gz BDMZKVOBGSISLG-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133000 1272692698 /nfs/dbraw/zinc/69/26/98/1272692698.db2.gz BDMZKVOBGSISLG-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133000 1272692710 /nfs/dbraw/zinc/69/27/10/1272692710.db2.gz BDMZKVOBGSISLG-DOADOZAASA-N 2 1 331.504 2.645 20 30 EFEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733881 1273421848 /nfs/dbraw/zinc/42/18/48/1273421848.db2.gz JJBXRXZNQOXNNB-NSHGMRRFSA-N 2 1 345.531 2.633 20 30 EFEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108777637 1273466875 /nfs/dbraw/zinc/46/68/75/1273466875.db2.gz CFQYIBLDYXYMGY-BZSNNMDCSA-N 2 1 330.476 2.517 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765384 1273469393 /nfs/dbraw/zinc/46/93/93/1273469393.db2.gz PHURPINZTCRUML-BZSNNMDCSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778295 1273475139 /nfs/dbraw/zinc/47/51/39/1273475139.db2.gz MYYWPUBRYNPCTN-FHWLQOOXSA-N 2 1 344.503 2.907 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821100 1273528280 /nfs/dbraw/zinc/52/82/80/1273528280.db2.gz AIRIOZRAOXIWKO-OTWHNJEPSA-N 2 1 344.503 2.907 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836145 1273546187 /nfs/dbraw/zinc/54/61/87/1273546187.db2.gz OFARVQKFDQQAPV-UFYCRDLUSA-N 2 1 341.499 2.664 20 30 EFEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836145 1273546190 /nfs/dbraw/zinc/54/61/90/1273546190.db2.gz OFARVQKFDQQAPV-UFYCRDLUSA-N 2 1 341.499 2.664 20 30 EFEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184401 1273751707 /nfs/dbraw/zinc/75/17/07/1273751707.db2.gz JPEGALGBACNQMY-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184401 1273751716 /nfs/dbraw/zinc/75/17/16/1273751716.db2.gz JPEGALGBACNQMY-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184401 1273751724 /nfs/dbraw/zinc/75/17/24/1273751724.db2.gz JPEGALGBACNQMY-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197384 1273762230 /nfs/dbraw/zinc/76/22/30/1273762230.db2.gz WAUJOOQAJLQVEZ-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035188065 1273794863 /nfs/dbraw/zinc/79/48/63/1273794863.db2.gz QBFOUWWSSSTESI-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188065 1273794869 /nfs/dbraw/zinc/79/48/69/1273794869.db2.gz QBFOUWWSSSTESI-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188065 1273794877 /nfs/dbraw/zinc/79/48/77/1273794877.db2.gz QBFOUWWSSSTESI-RBUKOAKNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035190625 1273800121 /nfs/dbraw/zinc/80/01/21/1273800121.db2.gz GJPFTSRNYYVRCO-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035190625 1273800131 /nfs/dbraw/zinc/80/01/31/1273800131.db2.gz GJPFTSRNYYVRCO-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035190625 1273800144 /nfs/dbraw/zinc/80/01/44/1273800144.db2.gz GJPFTSRNYYVRCO-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193409 1273811846 /nfs/dbraw/zinc/81/18/46/1273811846.db2.gz BMWIHGCHCVYCDN-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193409 1273811856 /nfs/dbraw/zinc/81/18/56/1273811856.db2.gz BMWIHGCHCVYCDN-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193409 1273811862 /nfs/dbraw/zinc/81/18/62/1273811862.db2.gz BMWIHGCHCVYCDN-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193863 1273814157 /nfs/dbraw/zinc/81/41/57/1273814157.db2.gz RATAKMUZTQLZEH-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193863 1273814165 /nfs/dbraw/zinc/81/41/65/1273814165.db2.gz RATAKMUZTQLZEH-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193863 1273814173 /nfs/dbraw/zinc/81/41/73/1273814173.db2.gz RATAKMUZTQLZEH-IBGZPJMESA-N 2 1 345.531 2.894 20 30 EFEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233992 1273886936 /nfs/dbraw/zinc/88/69/36/1273886936.db2.gz RLONJEQMAUJAQQ-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308499 1274106786 /nfs/dbraw/zinc/10/67/86/1274106786.db2.gz WAEVBTHMCQXOAT-NCOADZHNSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308499 1274106792 /nfs/dbraw/zinc/10/67/92/1274106792.db2.gz WAEVBTHMCQXOAT-NCOADZHNSA-N 2 1 330.476 2.694 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403599 1274247039 /nfs/dbraw/zinc/24/70/39/1274247039.db2.gz OUBQKTOOORBZPO-SQNIBIBYSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109433595 1274269516 /nfs/dbraw/zinc/26/95/16/1274269516.db2.gz UNAQTOQYJGFIKX-VSZNYVQBSA-N 2 1 330.476 2.768 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442959 1274282976 /nfs/dbraw/zinc/28/29/76/1274282976.db2.gz OSGOKESKPJOMEL-RDGPPVDQSA-N 2 1 345.531 2.939 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449505 1274283868 /nfs/dbraw/zinc/28/38/68/1274283868.db2.gz YIADQKPAFXCMGV-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449505 1274283875 /nfs/dbraw/zinc/28/38/75/1274283875.db2.gz YIADQKPAFXCMGV-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449505 1274283882 /nfs/dbraw/zinc/28/38/82/1274283882.db2.gz YIADQKPAFXCMGV-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449505 1274283891 /nfs/dbraw/zinc/28/38/91/1274283891.db2.gz YIADQKPAFXCMGV-YDZRNGNQSA-N 2 1 333.520 2.939 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472040 1274322481 /nfs/dbraw/zinc/32/24/81/1274322481.db2.gz UDIPPQYQHYWTBG-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472040 1274322485 /nfs/dbraw/zinc/32/24/85/1274322485.db2.gz UDIPPQYQHYWTBG-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472040 1274322488 /nfs/dbraw/zinc/32/24/88/1274322488.db2.gz UDIPPQYQHYWTBG-SQNIBIBYSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035706437 1274386666 /nfs/dbraw/zinc/38/66/66/1274386666.db2.gz LLZPDGNZTWFUQP-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732953 1274422698 /nfs/dbraw/zinc/42/26/98/1274422698.db2.gz JXHJEXVGKJVEOK-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590182 1274453660 /nfs/dbraw/zinc/45/36/60/1274453660.db2.gz VZJNFLCPLITJFA-MHORFTMASA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650247 1274517082 /nfs/dbraw/zinc/51/70/82/1274517082.db2.gz ZTOLOMRUPBCLOJ-SQNIBIBYSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838455 1274576635 /nfs/dbraw/zinc/57/66/35/1274576635.db2.gz YUPTWNVAUOKUAJ-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567337 1275218225 /nfs/dbraw/zinc/21/82/25/1275218225.db2.gz JHVUBVILFKKJCN-ICSRJNTNSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112568107 1275221812 /nfs/dbraw/zinc/22/18/12/1275221812.db2.gz YENXBUGOWHHZRY-HBFSDRIKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864899 1276139037 /nfs/dbraw/zinc/13/90/37/1276139037.db2.gz ISEXSRDTNXRDQM-IAGOWNOFSA-N 2 1 332.492 2.896 20 30 EFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991772 1276281046 /nfs/dbraw/zinc/28/10/46/1276281046.db2.gz JNROAYXBMHUTRW-MOPGFXCFSA-N 2 1 343.515 2.643 20 30 EFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165765 1276311866 /nfs/dbraw/zinc/31/18/66/1276311866.db2.gz NNGSTFSLJZCBED-IBGZPJMESA-N 2 1 341.540 2.506 20 30 EFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878314 1276332090 /nfs/dbraw/zinc/33/20/90/1276332090.db2.gz NHVPWSZIOSTTDX-IAGOWNOFSA-N 2 1 332.492 2.685 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881173 1287234735 /nfs/dbraw/zinc/23/47/35/1287234735.db2.gz ISWVEFUYXBVRLE-HKUYNNGSSA-N 2 1 333.520 2.681 20 30 EFEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005988964 1277307707 /nfs/dbraw/zinc/30/77/07/1277307707.db2.gz ZBQHIKTWEXSRST-IBGZPJMESA-N 2 1 339.499 2.698 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345712 1277632787 /nfs/dbraw/zinc/63/27/87/1277632787.db2.gz CTJYJFFFELEKHT-LPHOPBHVSA-N 2 1 339.499 2.698 20 30 EFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086591458 1277825896 /nfs/dbraw/zinc/82/58/96/1277825896.db2.gz MRJALYQDJKTIHW-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001086591458 1277825908 /nfs/dbraw/zinc/82/59/08/1277825908.db2.gz MRJALYQDJKTIHW-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001086591458 1277825920 /nfs/dbraw/zinc/82/59/20/1277825920.db2.gz MRJALYQDJKTIHW-XUVXKRRUSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609424 1279180821 /nfs/dbraw/zinc/18/08/21/1279180821.db2.gz FXHXWALUGUDBMT-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609424 1279180828 /nfs/dbraw/zinc/18/08/28/1279180828.db2.gz FXHXWALUGUDBMT-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609424 1279180830 /nfs/dbraw/zinc/18/08/30/1279180830.db2.gz FXHXWALUGUDBMT-YSIASYRMSA-N 2 1 341.499 2.631 20 30 EFEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273739 1287369102 /nfs/dbraw/zinc/36/91/02/1287369102.db2.gz VLKFHMACOURACB-FUHWJXTLSA-N 2 1 346.519 2.985 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001144569116 1279851589 /nfs/dbraw/zinc/85/15/89/1279851589.db2.gz KHVKEICMQFPFBI-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001144569116 1279851601 /nfs/dbraw/zinc/85/16/01/1279851601.db2.gz KHVKEICMQFPFBI-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001144569116 1279851609 /nfs/dbraw/zinc/85/16/09/1279851609.db2.gz KHVKEICMQFPFBI-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001144569116 1279851621 /nfs/dbraw/zinc/85/16/21/1279851621.db2.gz KHVKEICMQFPFBI-NRFANRHFSA-N 2 1 326.484 2.991 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262419 1280066502 /nfs/dbraw/zinc/06/65/02/1280066502.db2.gz DCSNPJTWJFQKIW-HCXYKTFWSA-N 2 1 333.520 2.652 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262419 1280066510 /nfs/dbraw/zinc/06/65/10/1280066510.db2.gz DCSNPJTWJFQKIW-HCXYKTFWSA-N 2 1 333.520 2.652 20 30 EFEDMP COc1ccnc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232998 1280261620 /nfs/dbraw/zinc/26/16/20/1280261620.db2.gz YNQDWYFKXHZHOH-MRXNPFEDSA-N 2 1 336.439 2.715 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001129771036 1280343577 /nfs/dbraw/zinc/34/35/77/1280343577.db2.gz OFKKRNYCXDETIA-ROUUACIJSA-N 2 1 347.890 2.595 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001129771036 1280343590 /nfs/dbraw/zinc/34/35/90/1280343590.db2.gz OFKKRNYCXDETIA-ROUUACIJSA-N 2 1 347.890 2.595 20 30 EFEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248273 1280440292 /nfs/dbraw/zinc/44/02/92/1280440292.db2.gz RJXCQGKYFGTSLT-IRXDYDNUSA-N 2 1 332.492 2.991 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308347 1281193682 /nfs/dbraw/zinc/19/36/82/1281193682.db2.gz RBUKQCCTAPLJSG-MSOLQXFVSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308347 1281193687 /nfs/dbraw/zinc/19/36/87/1281193687.db2.gz RBUKQCCTAPLJSG-MSOLQXFVSA-N 2 1 335.536 2.785 20 30 EFEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170783760 1287480150 /nfs/dbraw/zinc/48/01/50/1287480150.db2.gz GQBCRQZPYYLVKF-ROUUACIJSA-N 2 1 333.520 2.539 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582689 1281212132 /nfs/dbraw/zinc/21/21/32/1281212132.db2.gz CIQFFAMYSSABOG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582689 1281212138 /nfs/dbraw/zinc/21/21/38/1281212138.db2.gz CIQFFAMYSSABOG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582689 1281212147 /nfs/dbraw/zinc/21/21/47/1281212147.db2.gz CIQFFAMYSSABOG-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147582965 1281212370 /nfs/dbraw/zinc/21/23/70/1281212370.db2.gz KDVMSOQAARXTAP-OKZBNKHCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582965 1281212374 /nfs/dbraw/zinc/21/23/74/1281212374.db2.gz KDVMSOQAARXTAP-OKZBNKHCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582965 1281212379 /nfs/dbraw/zinc/21/23/79/1281212379.db2.gz KDVMSOQAARXTAP-OKZBNKHCSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716589 1281244094 /nfs/dbraw/zinc/24/40/94/1281244094.db2.gz ITLMBAOISIVFGJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716589 1281244099 /nfs/dbraw/zinc/24/40/99/1281244099.db2.gz ITLMBAOISIVFGJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716589 1281244105 /nfs/dbraw/zinc/24/41/05/1281244105.db2.gz ITLMBAOISIVFGJ-GOSISDBHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147717574 1281244721 /nfs/dbraw/zinc/24/47/21/1281244721.db2.gz ZSDSDIFPUBVKNL-OALUTQOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717574 1281244729 /nfs/dbraw/zinc/24/47/29/1281244729.db2.gz ZSDSDIFPUBVKNL-OALUTQOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147717574 1281244736 /nfs/dbraw/zinc/24/47/36/1281244736.db2.gz ZSDSDIFPUBVKNL-OALUTQOASA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725025 1281247612 /nfs/dbraw/zinc/24/76/12/1281247612.db2.gz QLCQSFJCHQPWRF-GOSISDBHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725693 1281247734 /nfs/dbraw/zinc/24/77/34/1281247734.db2.gz YCOPBKMYBMIPJH-IRXDYDNUSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725693 1281247743 /nfs/dbraw/zinc/24/77/43/1281247743.db2.gz YCOPBKMYBMIPJH-IRXDYDNUSA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725694 1281248156 /nfs/dbraw/zinc/24/81/56/1281248156.db2.gz YCOPBKMYBMIPJH-SJORKVTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147725694 1281248161 /nfs/dbraw/zinc/24/81/61/1281248161.db2.gz YCOPBKMYBMIPJH-SJORKVTESA-N 2 1 342.487 2.650 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774528 1281258003 /nfs/dbraw/zinc/25/80/03/1281258003.db2.gz XNHGXJBZIKCUAZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774528 1281258010 /nfs/dbraw/zinc/25/80/10/1281258010.db2.gz XNHGXJBZIKCUAZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001147774528 1281258016 /nfs/dbraw/zinc/25/80/16/1281258016.db2.gz XNHGXJBZIKCUAZ-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001147774559 1281258482 /nfs/dbraw/zinc/25/84/82/1281258482.db2.gz XNHGXJBZIKCUAZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001147774559 1281258485 /nfs/dbraw/zinc/25/84/85/1281258485.db2.gz XNHGXJBZIKCUAZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001147774559 1281258491 /nfs/dbraw/zinc/25/84/91/1281258491.db2.gz XNHGXJBZIKCUAZ-ZWKOTPCHSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852049 1281303412 /nfs/dbraw/zinc/30/34/12/1281303412.db2.gz SYALKCHKTBXDBX-INIZCTEOSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147991626 1281393662 /nfs/dbraw/zinc/39/36/62/1281393662.db2.gz CSIDHKXNZTZUPC-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205333 1281449199 /nfs/dbraw/zinc/44/91/99/1281449199.db2.gz FYWLDHCJUPXTBL-UHFFFAOYSA-N 2 1 335.536 2.833 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292510 1281496495 /nfs/dbraw/zinc/49/64/95/1281496495.db2.gz ITPCFUSVQJWRBT-ZWKOTPCHSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292510 1281496504 /nfs/dbraw/zinc/49/65/04/1281496504.db2.gz ITPCFUSVQJWRBT-ZWKOTPCHSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292510 1281496511 /nfs/dbraw/zinc/49/65/11/1281496511.db2.gz ITPCFUSVQJWRBT-ZWKOTPCHSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292507 1281497173 /nfs/dbraw/zinc/49/71/73/1281497173.db2.gz ITPCFUSVQJWRBT-MSOLQXFVSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292507 1281497179 /nfs/dbraw/zinc/49/71/79/1281497179.db2.gz ITPCFUSVQJWRBT-MSOLQXFVSA-N 2 1 335.536 2.689 20 30 EFEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292507 1281497185 /nfs/dbraw/zinc/49/71/85/1281497185.db2.gz ITPCFUSVQJWRBT-MSOLQXFVSA-N 2 1 335.536 2.689 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363761 1281532973 /nfs/dbraw/zinc/53/29/73/1281532973.db2.gz NXXJEJLKTAZLQD-QGZVFWFLSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148363761 1281532978 /nfs/dbraw/zinc/53/29/78/1281532978.db2.gz NXXJEJLKTAZLQD-QGZVFWFLSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418187 1281551580 /nfs/dbraw/zinc/55/15/80/1281551580.db2.gz DFJDOULXYQCZHY-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001148418187 1281551587 /nfs/dbraw/zinc/55/15/87/1281551587.db2.gz DFJDOULXYQCZHY-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001148418187 1281551599 /nfs/dbraw/zinc/55/15/99/1281551599.db2.gz DFJDOULXYQCZHY-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148520012 1281581457 /nfs/dbraw/zinc/58/14/57/1281581457.db2.gz QEEQDKNWVKDNHP-SFHVURJKSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604531 1281646723 /nfs/dbraw/zinc/64/67/23/1281646723.db2.gz IAXUVDHWDBNOKU-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604531 1281646731 /nfs/dbraw/zinc/64/67/31/1281646731.db2.gz IAXUVDHWDBNOKU-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604531 1281646739 /nfs/dbraw/zinc/64/67/39/1281646739.db2.gz IAXUVDHWDBNOKU-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001148604973 1281647306 /nfs/dbraw/zinc/64/73/06/1281647306.db2.gz MDIKGESGVOLTFS-OAHLLOKOSA-N 2 1 330.476 2.576 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605747 1281648721 /nfs/dbraw/zinc/64/87/21/1281648721.db2.gz TZTTYPBGXNTMCN-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605748 1281649316 /nfs/dbraw/zinc/64/93/16/1281649316.db2.gz TZTTYPBGXNTMCN-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625850 1281695233 /nfs/dbraw/zinc/69/52/33/1281695233.db2.gz MJVLBDROVWPXOY-UHFFFAOYSA-N 2 1 335.536 2.999 20 30 EFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001148827643 1281757264 /nfs/dbraw/zinc/75/72/64/1281757264.db2.gz IKFNGZXDHPAJRU-UHFFFAOYSA-N 2 1 341.499 2.862 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927496 1281924933 /nfs/dbraw/zinc/92/49/33/1281924933.db2.gz DKVHQOYJTXLQSO-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926766 1281948222 /nfs/dbraw/zinc/94/82/22/1281948222.db2.gz JIGHEFKHFSJRHH-MOPGFXCFSA-N 2 1 345.531 2.586 20 30 EFEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926768 1281948333 /nfs/dbraw/zinc/94/83/33/1281948333.db2.gz JIGHEFKHFSJRHH-RBUKOAKNSA-N 2 1 345.531 2.586 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927302 1281949386 /nfs/dbraw/zinc/94/93/86/1281949386.db2.gz YJWNCFNDJYSBPT-KRWDZBQOSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939720 1281966771 /nfs/dbraw/zinc/96/67/71/1281966771.db2.gz YDUMYGXAMNNUTD-KSZLIROESA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941103 1281968644 /nfs/dbraw/zinc/96/86/44/1281968644.db2.gz JBMWHOFXHFAOSJ-KRWDZBQOSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941104 1281968783 /nfs/dbraw/zinc/96/87/83/1281968783.db2.gz JBMWHOFXHFAOSJ-QGZVFWFLSA-N 2 1 333.520 2.607 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928049 1281990177 /nfs/dbraw/zinc/99/01/77/1281990177.db2.gz UOIJZLNLDYAKSA-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086955969 1282025473 /nfs/dbraw/zinc/02/54/73/1282025473.db2.gz ARRDTTPPESDQIW-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071243 1282368625 /nfs/dbraw/zinc/36/86/25/1282368625.db2.gz MUHGWXGJIWRZFX-SBHAEUEKSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671773 1282934386 /nfs/dbraw/zinc/93/43/86/1282934386.db2.gz PAOZXHKDFCUAGS-CEXWTWQISA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671773 1282934396 /nfs/dbraw/zinc/93/43/96/1282934396.db2.gz PAOZXHKDFCUAGS-CEXWTWQISA-N 2 1 335.536 2.615 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671773 1282934412 /nfs/dbraw/zinc/93/44/12/1282934412.db2.gz PAOZXHKDFCUAGS-CEXWTWQISA-N 2 1 335.536 2.615 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173346 1283086840 /nfs/dbraw/zinc/08/68/40/1283086840.db2.gz LEWVCGYGMSWENB-RDJZCZTQSA-N 2 1 326.444 2.883 20 30 EFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056983 1283191308 /nfs/dbraw/zinc/19/13/08/1283191308.db2.gz ZAURFGFIRFHIHP-RDTXWAMCSA-N 2 1 349.906 2.798 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310873 1283304921 /nfs/dbraw/zinc/30/49/21/1283304921.db2.gz PESSLRGKMGSINN-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310873 1283304934 /nfs/dbraw/zinc/30/49/34/1283304934.db2.gz PESSLRGKMGSINN-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310873 1283304941 /nfs/dbraw/zinc/30/49/41/1283304941.db2.gz PESSLRGKMGSINN-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310873 1283304950 /nfs/dbraw/zinc/30/49/50/1283304950.db2.gz PESSLRGKMGSINN-ICSRJNTNSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310431 1283305988 /nfs/dbraw/zinc/30/59/88/1283305988.db2.gz KSNRLYGGIVVSMM-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310431 1283306000 /nfs/dbraw/zinc/30/60/00/1283306000.db2.gz KSNRLYGGIVVSMM-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310431 1283306013 /nfs/dbraw/zinc/30/60/13/1283306013.db2.gz KSNRLYGGIVVSMM-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310431 1283306022 /nfs/dbraw/zinc/30/60/22/1283306022.db2.gz KSNRLYGGIVVSMM-UYAOXDASSA-N 2 1 343.515 2.706 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330481 1283342148 /nfs/dbraw/zinc/34/21/48/1283342148.db2.gz HWQCQTQVNRXGDD-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330481 1283342159 /nfs/dbraw/zinc/34/21/59/1283342159.db2.gz HWQCQTQVNRXGDD-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754290 1283419724 /nfs/dbraw/zinc/41/97/24/1283419724.db2.gz DIOPFNDXHCWDCI-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754515 1283421426 /nfs/dbraw/zinc/42/14/26/1283421426.db2.gz HLXXQRWVHHNOLA-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754515 1283421431 /nfs/dbraw/zinc/42/14/31/1283421431.db2.gz HLXXQRWVHHNOLA-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754515 1283421435 /nfs/dbraw/zinc/42/14/35/1283421435.db2.gz HLXXQRWVHHNOLA-AEFFLSMTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759321 1283462627 /nfs/dbraw/zinc/46/26/27/1283462627.db2.gz JWTCEYQZTDKFFE-ROUUACIJSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487172 1283701690 /nfs/dbraw/zinc/70/16/90/1283701690.db2.gz RULPOPFUSAFIJW-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487172 1283701699 /nfs/dbraw/zinc/70/16/99/1283701699.db2.gz RULPOPFUSAFIJW-AEFFLSMTSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487178 1283702162 /nfs/dbraw/zinc/70/21/62/1283702162.db2.gz RULPOPFUSAFIJW-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487178 1283702172 /nfs/dbraw/zinc/70/21/72/1283702172.db2.gz RULPOPFUSAFIJW-SJLPKXTDSA-N 2 1 332.492 2.907 20 30 EFEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176025121 1287660483 /nfs/dbraw/zinc/66/04/83/1287660483.db2.gz YEHFHDDHZLAKBU-IBGZPJMESA-N 2 1 343.515 2.645 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793721 1283724872 /nfs/dbraw/zinc/72/48/72/1283724872.db2.gz KKYNRRVTLHWVAR-HZPDHXFCSA-N 2 1 339.911 2.536 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519519 1283781022 /nfs/dbraw/zinc/78/10/22/1283781022.db2.gz ZYRIGRWNDJBUKQ-UYAOXDASSA-N 2 1 347.547 2.881 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001093369532 1283800077 /nfs/dbraw/zinc/80/00/77/1283800077.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093369532 1283800092 /nfs/dbraw/zinc/80/00/92/1283800092.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093369532 1283800102 /nfs/dbraw/zinc/80/01/02/1283800102.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093371990 1283808121 /nfs/dbraw/zinc/80/81/21/1283808121.db2.gz XSOKUDBIYAYKFH-QRQLOZEOSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093371990 1283808134 /nfs/dbraw/zinc/80/81/34/1283808134.db2.gz XSOKUDBIYAYKFH-QRQLOZEOSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093371990 1283808143 /nfs/dbraw/zinc/80/81/43/1283808143.db2.gz XSOKUDBIYAYKFH-QRQLOZEOSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001093377037 1283828548 /nfs/dbraw/zinc/82/85/48/1283828548.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093377037 1283828554 /nfs/dbraw/zinc/82/85/54/1283828554.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093377037 1283828560 /nfs/dbraw/zinc/82/85/60/1283828560.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 2 1 345.531 2.607 20 30 EFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652156 1287672185 /nfs/dbraw/zinc/67/21/85/1287672185.db2.gz RGIJEIDQTHCGSN-FUHWJXTLSA-N 2 1 329.444 2.851 20 30 EFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000815652156 1287672187 /nfs/dbraw/zinc/67/21/87/1287672187.db2.gz RGIJEIDQTHCGSN-FUHWJXTLSA-N 2 1 329.444 2.851 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284060001 /nfs/dbraw/zinc/06/00/01/1284060001.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284060011 /nfs/dbraw/zinc/06/00/11/1284060011.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284060025 /nfs/dbraw/zinc/06/00/25/1284060025.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832566 1284137411 /nfs/dbraw/zinc/13/74/11/1284137411.db2.gz DYMCJTSGIBDHQL-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832566 1284137418 /nfs/dbraw/zinc/13/74/18/1284137418.db2.gz DYMCJTSGIBDHQL-SJORKVTESA-N 2 1 330.476 2.505 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833512 1284142315 /nfs/dbraw/zinc/14/23/15/1284142315.db2.gz UZKNAKSQFACUGN-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833512 1284142322 /nfs/dbraw/zinc/14/23/22/1284142322.db2.gz UZKNAKSQFACUGN-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834308 1284145884 /nfs/dbraw/zinc/14/58/84/1284145884.db2.gz IAUFAEUHUHADQO-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834308 1284145893 /nfs/dbraw/zinc/14/58/93/1284145893.db2.gz IAUFAEUHUHADQO-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841625 1284238704 /nfs/dbraw/zinc/23/87/04/1284238704.db2.gz AVSKIRFOAJDVNO-VQTJNVASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117354 1284822850 /nfs/dbraw/zinc/82/28/50/1284822850.db2.gz JPGZBSZZJACEED-GDBMZVCRSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117357 1284823719 /nfs/dbraw/zinc/82/37/19/1284823719.db2.gz JPGZBSZZJACEED-ZBFHGGJFSA-N 2 1 341.927 2.545 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120805 1284829601 /nfs/dbraw/zinc/82/96/01/1284829601.db2.gz BHDWQDRPFDBMOV-GOEBONIOSA-N 2 1 343.943 2.791 20 30 EFEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141819 1284862670 /nfs/dbraw/zinc/86/26/70/1284862670.db2.gz HMJDHKLDOXLYGW-IRXDYDNUSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419905 1285050124 /nfs/dbraw/zinc/05/01/24/1285050124.db2.gz IMUJGCIWTMJVDY-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419905 1285050132 /nfs/dbraw/zinc/05/01/32/1285050132.db2.gz IMUJGCIWTMJVDY-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419905 1285050143 /nfs/dbraw/zinc/05/01/43/1285050143.db2.gz IMUJGCIWTMJVDY-SOAMZJECSA-N 2 1 333.520 2.654 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427520 1285066094 /nfs/dbraw/zinc/06/60/94/1285066094.db2.gz TXEJNVZGKJVHRG-VQIMIIECSA-N 2 1 347.528 2.970 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433104 1285076657 /nfs/dbraw/zinc/07/66/57/1285076657.db2.gz QOFOPUQWDVXCOY-QWFCFKBJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433104 1285076664 /nfs/dbraw/zinc/07/66/64/1285076664.db2.gz QOFOPUQWDVXCOY-QWFCFKBJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433104 1285076672 /nfs/dbraw/zinc/07/66/72/1285076672.db2.gz QOFOPUQWDVXCOY-QWFCFKBJSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133256068 1285095977 /nfs/dbraw/zinc/09/59/77/1285095977.db2.gz ZQDAHSHZINZPHG-HOCLYGCPSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458203 1285130914 /nfs/dbraw/zinc/13/09/14/1285130914.db2.gz JPZWOJLFRLHJBL-IEBWSBKVSA-N 2 1 331.504 2.552 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458547 1285132061 /nfs/dbraw/zinc/13/20/61/1285132061.db2.gz NOVNQWAYLMMTOW-IEBWSBKVSA-N 2 1 331.504 2.552 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458604 1285132413 /nfs/dbraw/zinc/13/24/13/1285132413.db2.gz QDQJBMLKOLKZLP-UYAOXDASSA-N 2 1 345.531 2.942 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498565 1285160640 /nfs/dbraw/zinc/16/06/40/1285160640.db2.gz MICNIGZNCZPEKF-YLJYHZDGSA-N 2 1 345.487 2.892 20 30 EFEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001133392590 1285334695 /nfs/dbraw/zinc/33/46/95/1285334695.db2.gz DUWHOTAWPRMQOE-QGZVFWFLSA-N 2 1 335.879 2.538 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)CCC[C@@H]12 ZINC001094556582 1285368756 /nfs/dbraw/zinc/36/87/56/1285368756.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094556582 1285368762 /nfs/dbraw/zinc/36/87/62/1285368762.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094556582 1285368773 /nfs/dbraw/zinc/36/87/73/1285368773.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410457 1285372682 /nfs/dbraw/zinc/37/26/82/1285372682.db2.gz GUQULKIHOYJGAU-QGZVFWFLSA-N 2 1 349.906 2.786 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904110 1285390839 /nfs/dbraw/zinc/39/08/39/1285390839.db2.gz MQXHLORBNZFBRD-SJORKVTESA-N 2 1 339.911 2.538 20 30 EFEDMP CCOC(=O)C1(C#N)CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642676 1285721211 /nfs/dbraw/zinc/72/12/11/1285721211.db2.gz LFMHSKRKAOLYOP-UHFFFAOYSA-N 2 1 335.492 2.807 20 30 EFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918214 1285903392 /nfs/dbraw/zinc/90/33/92/1285903392.db2.gz MSTVLKWPJGLBNG-SFHVURJKSA-N 2 1 335.536 2.929 20 30 EFEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109538 1286023327 /nfs/dbraw/zinc/02/33/27/1286023327.db2.gz HKBKYEPXLRVIAF-NNZMDNLPSA-N 2 1 335.492 2.626 20 30 EFEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950939 1286280432 /nfs/dbraw/zinc/28/04/32/1286280432.db2.gz WNPPUXCPKJOPBP-BQFCYCMXSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471883 1288035083 /nfs/dbraw/zinc/03/50/83/1288035083.db2.gz PXECJAIPXHXFOG-HZPDHXFCSA-N 2 1 348.491 2.723 20 30 EFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759333 1288122699 /nfs/dbraw/zinc/12/26/99/1288122699.db2.gz JAOPKUMJJMMBJB-PKOBYXMFSA-N 2 1 329.488 2.577 20 30 EFEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760166 1288123031 /nfs/dbraw/zinc/12/30/31/1288123031.db2.gz QWRXDZQTWDYJOD-HOTGVXAUSA-N 2 1 329.916 2.878 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165727567 1312671463 /nfs/dbraw/zinc/67/14/63/1312671463.db2.gz DMNFUBXMHHOPOY-ZWKOTPCHSA-N 2 1 333.520 2.846 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001177348160 1288413277 /nfs/dbraw/zinc/41/32/77/1288413277.db2.gz AVAYUGUFZITVED-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177415701 1288423566 /nfs/dbraw/zinc/42/35/66/1288423566.db2.gz IQNSKJNEOWLBTJ-MJGOQNOKSA-N 2 1 335.536 2.759 20 30 EFEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415547 1288423830 /nfs/dbraw/zinc/42/38/30/1288423830.db2.gz BWOOHZQGBPBXFQ-GOSISDBHSA-N 2 1 335.536 2.903 20 30 EFEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177416018 1288424800 /nfs/dbraw/zinc/42/48/00/1288424800.db2.gz REORCMBZRCVVSO-SFHVURJKSA-N 2 1 335.536 2.903 20 30 EFEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1C ZINC001177440958 1288442386 /nfs/dbraw/zinc/44/23/86/1288442386.db2.gz VWYGDTMYRSJTHE-UHFFFAOYSA-N 2 1 344.503 2.603 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178722448 1288867975 /nfs/dbraw/zinc/86/79/75/1288867975.db2.gz HLVQNORZDJMPFW-FQEVSTJZSA-N 2 1 341.499 2.550 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178722448 1288867983 /nfs/dbraw/zinc/86/79/83/1288867983.db2.gz HLVQNORZDJMPFW-FQEVSTJZSA-N 2 1 341.499 2.550 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736336 1288889070 /nfs/dbraw/zinc/88/90/70/1288889070.db2.gz VNBAJGVQTTYGCT-ULQDDVLXSA-N 2 1 332.492 2.942 20 30 EFEDMP COC(=O)c1ccc(C(=[NH2+])Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001170984508 1288939547 /nfs/dbraw/zinc/93/95/47/1288939547.db2.gz BGZYDBGOBKEHIE-UHFFFAOYSA-N 2 1 338.411 2.896 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539384 1289183819 /nfs/dbraw/zinc/18/38/19/1289183819.db2.gz WOPJSBPHIQMKNS-TXPKVOOTSA-N 2 1 339.499 2.744 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585067 1289202222 /nfs/dbraw/zinc/20/22/22/1289202222.db2.gz BSQRKHZKERVNDL-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585068 1289202599 /nfs/dbraw/zinc/20/25/99/1289202599.db2.gz BSQRKHZKERVNDL-QGZVFWFLSA-N 2 1 332.492 2.596 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165912807 1312703600 /nfs/dbraw/zinc/70/36/00/1312703600.db2.gz VGDHZNWCHBJWIA-OAHLLOKOSA-N 2 1 348.491 2.581 20 30 EFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001180035875 1289391409 /nfs/dbraw/zinc/39/14/09/1289391409.db2.gz YAJGTRFQXUXRCL-IBGZPJMESA-N 2 1 335.536 2.931 20 30 EFEDMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180369448 1289516652 /nfs/dbraw/zinc/51/66/52/1289516652.db2.gz GNGJFXYYHAJCLU-UHFFFAOYSA-N 2 1 344.503 2.665 20 30 EFEDMP N=C(Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccc2ccccc2n1 ZINC001171047589 1289545352 /nfs/dbraw/zinc/54/53/52/1289545352.db2.gz BAAMPVBATSUCEC-UHFFFAOYSA-N 2 1 342.406 2.606 20 30 EFEDMP N#Cc1sccc1N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213739 1289647472 /nfs/dbraw/zinc/64/74/72/1289647472.db2.gz OOPNLFINBRBMOA-UHFFFAOYSA-N 2 1 344.509 2.649 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181517976 1289852149 /nfs/dbraw/zinc/85/21/49/1289852149.db2.gz LUWMKYLSXVQBML-GPMSIDNRSA-N 2 1 332.492 2.657 20 30 EFEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727711 1289917671 /nfs/dbraw/zinc/91/76/71/1289917671.db2.gz CKYWWOMVYLZXHR-MBOZVWFJSA-N 2 1 344.503 2.801 20 30 EFEDMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(C#N)ccc1O ZINC001232678861 1312759751 /nfs/dbraw/zinc/75/97/51/1312759751.db2.gz RQOGXHFATUQDKV-UHFFFAOYSA-N 2 1 346.519 2.749 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623561 1290227389 /nfs/dbraw/zinc/22/73/89/1290227389.db2.gz QDTWGMAGMWWDQI-RDTXWAMCSA-N 2 1 341.927 2.545 20 30 EFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182806836 1290256899 /nfs/dbraw/zinc/25/68/99/1290256899.db2.gz NIURGUWIEJTHLF-VQIMIIECSA-N 2 1 332.492 2.657 20 30 EFEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516889 1290354127 /nfs/dbraw/zinc/35/41/27/1290354127.db2.gz DDZHDJHPGWDTDA-QWFCFKBJSA-N 2 1 335.536 2.901 20 30 EFEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683276 1290499261 /nfs/dbraw/zinc/49/92/61/1290499261.db2.gz HFGUTACCTOIIMX-ZWKOTPCHSA-N 2 1 347.547 2.737 20 30 EFEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892547 1290538988 /nfs/dbraw/zinc/53/89/88/1290538988.db2.gz QKCDTWHNOIURNE-OALUTQOASA-N 2 1 347.547 2.739 20 30 EFEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892112 1290539411 /nfs/dbraw/zinc/53/94/11/1290539411.db2.gz NCFZECPDRPXKCX-MSOLQXFVSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185790316 1290763092 /nfs/dbraw/zinc/76/30/92/1290763092.db2.gz ZIBRFBGLLISJMK-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185790316 1290763102 /nfs/dbraw/zinc/76/31/02/1290763102.db2.gz ZIBRFBGLLISJMK-UYAOXDASSA-N 2 1 343.515 2.769 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687789 1312820650 /nfs/dbraw/zinc/82/06/50/1312820650.db2.gz ZXKQSTPGDWHWSO-CRAIPNDOSA-N 2 1 327.488 2.650 20 30 EFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000876736965 1290994622 /nfs/dbraw/zinc/99/46/22/1290994622.db2.gz YNKGRGYYXZIECI-DLBZAZTESA-N 2 1 335.879 2.627 20 30 EFEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)CC1 ZINC001186597344 1290994833 /nfs/dbraw/zinc/99/48/33/1290994833.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186597344 1290994839 /nfs/dbraw/zinc/99/48/39/1290994839.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186597344 1290994843 /nfs/dbraw/zinc/99/48/43/1290994843.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 2 1 347.547 2.691 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604199 1290998224 /nfs/dbraw/zinc/99/82/24/1290998224.db2.gz AJWZJTCIXZPDGX-IBGZPJMESA-N 2 1 347.547 2.692 20 30 EFEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166708661 1312825595 /nfs/dbraw/zinc/82/55/95/1312825595.db2.gz VUXOSKQGTMRYGT-KRWDZBQOSA-N 2 1 332.492 2.596 20 30 EFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877031244 1291111191 /nfs/dbraw/zinc/11/11/91/1291111191.db2.gz SFQSYMQJWJRZPK-HLLBOEOZSA-N 2 1 333.863 2.599 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944615 1291270108 /nfs/dbraw/zinc/27/01/08/1291270108.db2.gz KTJKXWQEPOAGOX-SLFFLAALSA-N 2 1 347.547 2.831 20 30 EFEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971638 1291277380 /nfs/dbraw/zinc/27/73/80/1291277380.db2.gz UVLAONQIHPIOTQ-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971638 1291277387 /nfs/dbraw/zinc/27/73/87/1291277387.db2.gz UVLAONQIHPIOTQ-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971638 1291277392 /nfs/dbraw/zinc/27/73/92/1291277392.db2.gz UVLAONQIHPIOTQ-VNTMZGSJSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205136 1291340547 /nfs/dbraw/zinc/34/05/47/1291340547.db2.gz DYKNXOOMFPNDPZ-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205136 1291340558 /nfs/dbraw/zinc/34/05/58/1291340558.db2.gz DYKNXOOMFPNDPZ-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205136 1291340568 /nfs/dbraw/zinc/34/05/68/1291340568.db2.gz DYKNXOOMFPNDPZ-GBESFXJTSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205137 1291340958 /nfs/dbraw/zinc/34/09/58/1291340958.db2.gz DYKNXOOMFPNDPZ-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205137 1291340966 /nfs/dbraw/zinc/34/09/66/1291340966.db2.gz DYKNXOOMFPNDPZ-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205137 1291340974 /nfs/dbraw/zinc/34/09/74/1291340974.db2.gz DYKNXOOMFPNDPZ-IPMKNSEASA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166841992 1312851843 /nfs/dbraw/zinc/85/18/43/1312851843.db2.gz GRJVEMYYXJIELW-BZSNNMDCSA-N 2 1 335.536 2.948 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569050 1291411412 /nfs/dbraw/zinc/41/14/12/1291411412.db2.gz YLDVNHOOYGGXQE-JTDSTZFVSA-N 2 1 338.455 2.835 20 30 EFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188895041 1291512567 /nfs/dbraw/zinc/51/25/67/1291512567.db2.gz FJWPAYJKFXJDBS-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895041 1291512573 /nfs/dbraw/zinc/51/25/73/1291512573.db2.gz FJWPAYJKFXJDBS-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895041 1291512580 /nfs/dbraw/zinc/51/25/80/1291512580.db2.gz FJWPAYJKFXJDBS-GBESFXJTSA-N 2 1 333.520 2.607 20 30 EFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126695 1291589897 /nfs/dbraw/zinc/58/98/97/1291589897.db2.gz LACBGJFYZRVODV-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126695 1291589902 /nfs/dbraw/zinc/58/99/02/1291589902.db2.gz LACBGJFYZRVODV-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126695 1291589909 /nfs/dbraw/zinc/58/99/09/1291589909.db2.gz LACBGJFYZRVODV-CEXWTWQISA-N 2 1 335.536 2.831 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573415 1291785545 /nfs/dbraw/zinc/78/55/45/1291785545.db2.gz XEXHHYFVMHSQAR-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592088 1291827532 /nfs/dbraw/zinc/82/75/32/1291827532.db2.gz KMMFVTQALNLZPE-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633870 1291930246 /nfs/dbraw/zinc/93/02/46/1291930246.db2.gz RXXKLBMGDVCUCU-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635999 1291934753 /nfs/dbraw/zinc/93/47/53/1291934753.db2.gz RUSNTGDNELRDBM-GOSISDBHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000957645326 1291955729 /nfs/dbraw/zinc/95/57/29/1291955729.db2.gz XMUHARLKDMQEDP-UHFFFAOYSA-N 2 1 344.503 2.862 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647442 1291959701 /nfs/dbraw/zinc/95/97/01/1291959701.db2.gz IHBISQKLNJRSHE-IBGZPJMESA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652521 1312905093 /nfs/dbraw/zinc/90/50/93/1312905093.db2.gz SUQUXACUIBFBQB-JKSUJKDBSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016655103 1312907125 /nfs/dbraw/zinc/90/71/25/1312907125.db2.gz MTZFJHRVQDRWBV-MOPGFXCFSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478502 1312907176 /nfs/dbraw/zinc/90/71/76/1312907176.db2.gz PBIIZTWSGNABFU-QZTJIDSGSA-N 2 1 338.455 2.898 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190480576 1292177392 /nfs/dbraw/zinc/17/73/92/1292177392.db2.gz CYFUGVYZCXOWDG-OKZBNKHCSA-N 2 1 330.476 2.551 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049479897 1312909384 /nfs/dbraw/zinc/90/93/84/1312909384.db2.gz CNMXWQRLEXXNIH-RDGPPVDQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479897 1312909386 /nfs/dbraw/zinc/90/93/86/1312909386.db2.gz CNMXWQRLEXXNIH-RDGPPVDQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049479897 1312909389 /nfs/dbraw/zinc/90/93/89/1312909389.db2.gz CNMXWQRLEXXNIH-RDGPPVDQSA-N 2 1 333.520 2.748 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663373 1312911794 /nfs/dbraw/zinc/91/17/94/1312911794.db2.gz QGCRKQKQIWVPOH-MOPGFXCFSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663979 1312912202 /nfs/dbraw/zinc/91/22/02/1312912202.db2.gz WSCUJZWVWUEPHZ-OALUTQOASA-N 2 1 345.531 2.940 20 30 EFEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428327 1312922704 /nfs/dbraw/zinc/92/27/04/1312922704.db2.gz XXVGGYHKVAJPGE-IAGOWNOFSA-N 2 1 335.536 2.948 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451044 1312927713 /nfs/dbraw/zinc/92/77/13/1312927713.db2.gz HUINETHUMIDDHA-DLBZAZTESA-N 2 1 344.503 2.990 20 30 EFEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507578 1312941529 /nfs/dbraw/zinc/94/15/29/1312941529.db2.gz SXUMLPMDHGBMNM-ROUUACIJSA-N 2 1 333.520 2.539 20 30 EFEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508571 1312942203 /nfs/dbraw/zinc/94/22/03/1312942203.db2.gz ZDYGIRCZLNVWAB-QZTJIDSGSA-N 2 1 333.520 2.539 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509452 1312942666 /nfs/dbraw/zinc/94/26/66/1312942666.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509452 1312942670 /nfs/dbraw/zinc/94/26/70/1312942670.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509452 1312942676 /nfs/dbraw/zinc/94/26/76/1312942676.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509862 1312943520 /nfs/dbraw/zinc/94/35/20/1312943520.db2.gz AIQYFTMJLZKCBC-IRXDYDNUSA-N 2 1 345.512 2.512 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049509862 1312943522 /nfs/dbraw/zinc/94/35/22/1312943522.db2.gz AIQYFTMJLZKCBC-IRXDYDNUSA-N 2 1 345.512 2.512 20 30 EFEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947264 1292724356 /nfs/dbraw/zinc/72/43/56/1292724356.db2.gz HSNDFTUASKQPLQ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947264 1292724367 /nfs/dbraw/zinc/72/43/67/1292724367.db2.gz HSNDFTUASKQPLQ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947264 1292724374 /nfs/dbraw/zinc/72/43/74/1292724374.db2.gz HSNDFTUASKQPLQ-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514524 1312950199 /nfs/dbraw/zinc/95/01/99/1312950199.db2.gz GRVAGJZQJMYKBS-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514524 1312950201 /nfs/dbraw/zinc/95/02/01/1312950201.db2.gz GRVAGJZQJMYKBS-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514524 1312950205 /nfs/dbraw/zinc/95/02/05/1312950205.db2.gz GRVAGJZQJMYKBS-IPMKNSEASA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903901 1292923819 /nfs/dbraw/zinc/92/38/19/1292923819.db2.gz QQIVBPHFNYJCHK-YDZRNGNQSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903901 1292923824 /nfs/dbraw/zinc/92/38/24/1292923824.db2.gz QQIVBPHFNYJCHK-YDZRNGNQSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903901 1292923830 /nfs/dbraw/zinc/92/38/30/1292923830.db2.gz QQIVBPHFNYJCHK-YDZRNGNQSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867441 1293069799 /nfs/dbraw/zinc/06/97/99/1293069799.db2.gz QMRQFDIEBHQVKH-SJLPKXTDSA-N 2 1 332.492 2.859 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192867441 1293069808 /nfs/dbraw/zinc/06/98/08/1293069808.db2.gz QMRQFDIEBHQVKH-SJLPKXTDSA-N 2 1 332.492 2.859 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001049544180 1312990122 /nfs/dbraw/zinc/99/01/22/1312990122.db2.gz BOPSGRCJKRGJHV-IRXDYDNUSA-N 2 1 330.476 2.568 20 30 EFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193384015 1293283794 /nfs/dbraw/zinc/28/37/94/1293283794.db2.gz ZNZIWGQGTFYMPO-LJQANCHMSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399043 1293288199 /nfs/dbraw/zinc/28/81/99/1293288199.db2.gz LLKQJOXENVLRNW-CTNGQTDRSA-N 2 1 343.515 2.962 20 30 EFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399046 1293288229 /nfs/dbraw/zinc/28/82/29/1293288229.db2.gz LLKQJOXENVLRNW-TZIWHRDSSA-N 2 1 343.515 2.962 20 30 EFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408894 1293296312 /nfs/dbraw/zinc/29/63/12/1293296312.db2.gz RWEDVTOAQUTDMR-PZJWPPBQSA-N 2 1 343.515 2.962 20 30 EFEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193798201 1293444929 /nfs/dbraw/zinc/44/49/29/1293444929.db2.gz ZZLRGRSLSCGTTA-GOSISDBHSA-N 2 1 334.508 2.856 20 30 EFEDMP C#CC[N@H+](C)CCCNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883131485 1293473606 /nfs/dbraw/zinc/47/36/06/1293473606.db2.gz DOGDKVRWEAXZHK-UHFFFAOYSA-N 2 1 330.863 2.785 20 30 EFEDMP C#CCN(C)CCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883131485 1293473609 /nfs/dbraw/zinc/47/36/09/1293473609.db2.gz DOGDKVRWEAXZHK-UHFFFAOYSA-N 2 1 330.863 2.785 20 30 EFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862002 1313015316 /nfs/dbraw/zinc/01/53/16/1313015316.db2.gz RLOWQKUMUXIXOY-ZWKOTPCHSA-N 2 1 333.520 2.796 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560250 1313018474 /nfs/dbraw/zinc/01/84/74/1313018474.db2.gz CAKQICOJXNLXSM-MOPGFXCFSA-N 2 1 338.455 2.898 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563882 1313024087 /nfs/dbraw/zinc/02/40/87/1313024087.db2.gz IJVWQIOZFKVZIP-ZWKOTPCHSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563882 1313024089 /nfs/dbraw/zinc/02/40/89/1313024089.db2.gz IJVWQIOZFKVZIP-ZWKOTPCHSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563882 1313024092 /nfs/dbraw/zinc/02/40/92/1313024092.db2.gz IJVWQIOZFKVZIP-ZWKOTPCHSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563879 1313024191 /nfs/dbraw/zinc/02/41/91/1313024191.db2.gz IJVWQIOZFKVZIP-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563879 1313024195 /nfs/dbraw/zinc/02/41/95/1313024195.db2.gz IJVWQIOZFKVZIP-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563879 1313024198 /nfs/dbraw/zinc/02/41/98/1313024198.db2.gz IJVWQIOZFKVZIP-MSOLQXFVSA-N 2 1 333.520 2.891 20 30 EFEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565659 1313025889 /nfs/dbraw/zinc/02/58/89/1313025889.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565659 1313025893 /nfs/dbraw/zinc/02/58/93/1313025893.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565659 1313025896 /nfs/dbraw/zinc/02/58/96/1313025896.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 2 1 345.531 2.728 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569547 1313031247 /nfs/dbraw/zinc/03/12/47/1313031247.db2.gz ZDSLRQVFZXDQJF-ZWKOTPCHSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922476 1313043954 /nfs/dbraw/zinc/04/39/54/1313043954.db2.gz DIKIUFWZQYWOCS-MSOLQXFVSA-N 2 1 333.520 2.798 20 30 EFEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016922804 1313044149 /nfs/dbraw/zinc/04/41/49/1313044149.db2.gz GTHPZZIQDRQFFW-OALUTQOASA-N 2 1 345.531 2.635 20 30 EFEDMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044658 /nfs/dbraw/zinc/04/46/58/1313044658.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 1 327.472 2.881 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155641 1294152734 /nfs/dbraw/zinc/15/27/34/1294152734.db2.gz PYJBKSKCZGNMQO-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155641 1294152735 /nfs/dbraw/zinc/15/27/35/1294152735.db2.gz PYJBKSKCZGNMQO-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155641 1294152737 /nfs/dbraw/zinc/15/27/37/1294152737.db2.gz PYJBKSKCZGNMQO-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196162827 1294153799 /nfs/dbraw/zinc/15/37/99/1294153799.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196162827 1294153803 /nfs/dbraw/zinc/15/38/03/1294153803.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196162827 1294153806 /nfs/dbraw/zinc/15/38/06/1294153806.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 2 1 333.520 2.894 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943298 1294418962 /nfs/dbraw/zinc/41/89/62/1294418962.db2.gz NEJBIRHMQHLYJV-FUHWJXTLSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196943298 1294418965 /nfs/dbraw/zinc/41/89/65/1294418965.db2.gz NEJBIRHMQHLYJV-FUHWJXTLSA-N 2 1 344.503 2.643 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001197158551 1294471154 /nfs/dbraw/zinc/47/11/54/1294471154.db2.gz RXIGIQISJQXNNV-UHFFFAOYSA-N 2 1 343.515 2.905 20 30 EFEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448343 1294541709 /nfs/dbraw/zinc/54/17/09/1294541709.db2.gz VXKANZHRUJKVGO-UHFFFAOYSA-N 2 1 329.488 2.862 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774866 1294577491 /nfs/dbraw/zinc/57/74/91/1294577491.db2.gz GGPLLHQVDBPJGE-QZTJIDSGSA-N 2 1 331.508 2.512 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774865 1294577794 /nfs/dbraw/zinc/57/77/94/1294577794.db2.gz GGPLLHQVDBPJGE-MSOLQXFVSA-N 2 1 331.508 2.512 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303774990 1294578568 /nfs/dbraw/zinc/57/85/68/1294578568.db2.gz GLOVHMYVJQKKHL-SFHVURJKSA-N 2 1 346.519 2.895 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303782366 1294579971 /nfs/dbraw/zinc/57/99/71/1294579971.db2.gz NEAIJEQAIXUTQZ-SFHVURJKSA-N 2 1 330.476 2.703 20 30 EFEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303782365 1294580545 /nfs/dbraw/zinc/58/05/45/1294580545.db2.gz NEAIJEQAIXUTQZ-GOSISDBHSA-N 2 1 330.476 2.703 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785479 1294581251 /nfs/dbraw/zinc/58/12/51/1294581251.db2.gz QMHRNOATTWJAQR-AWEZNQCLSA-N 2 1 328.382 2.594 20 30 EFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000303786004 1294581733 /nfs/dbraw/zinc/58/17/33/1294581733.db2.gz QXEABDMTGKMELH-QGZVFWFLSA-N 2 1 326.444 2.564 20 30 EFEDMP C[C@@H]1C[NH+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000303793324 1294583774 /nfs/dbraw/zinc/58/37/74/1294583774.db2.gz ZLOMKKMKAUAFHI-IAGOWNOFSA-N 2 1 346.519 2.582 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864955 1294591711 /nfs/dbraw/zinc/59/17/11/1294591711.db2.gz BKGHRNIAMPFPOX-KRWDZBQOSA-N 2 1 332.492 2.610 20 30 EFEDMP C[N@H+]1CCCN(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303872533 1294593379 /nfs/dbraw/zinc/59/33/79/1294593379.db2.gz GKIIXTAZSTXLPZ-UHFFFAOYSA-N 2 1 343.519 2.578 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884145 1294597777 /nfs/dbraw/zinc/59/77/77/1294597777.db2.gz MRAXINQRMCXDCQ-HNNXBMFYSA-N 2 1 343.302 2.925 20 30 EFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000303907944 1294601164 /nfs/dbraw/zinc/60/11/64/1294601164.db2.gz XGJDSBPCIAMAHQ-KGLIPLIRSA-N 2 1 334.464 2.693 20 30 EFEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000303904211 1294601305 /nfs/dbraw/zinc/60/13/05/1294601305.db2.gz UVLLLSYQGVAWJR-AWEZNQCLSA-N 2 1 346.475 2.695 20 30 EFEDMP CCCCOc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000303902337 1294601425 /nfs/dbraw/zinc/60/14/25/1294601425.db2.gz TVVYQJINEIAGTJ-SFHVURJKSA-N 2 1 346.519 2.797 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC1CCCC1 ZINC000303910351 1294602361 /nfs/dbraw/zinc/60/23/61/1294602361.db2.gz YTRRIBHHWGJWBD-QGZVFWFLSA-N 2 1 344.503 2.897 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000886209128 1294764574 /nfs/dbraw/zinc/76/45/74/1294764574.db2.gz FLRBDDIALBYUMD-JBACZVJFSA-N 2 1 325.500 2.727 20 30 EFEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000886209128 1294764584 /nfs/dbraw/zinc/76/45/84/1294764584.db2.gz FLRBDDIALBYUMD-JBACZVJFSA-N 2 1 325.500 2.727 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345431 1313109641 /nfs/dbraw/zinc/10/96/41/1313109641.db2.gz IIVPOFBIDVWMPL-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258960 1294960660 /nfs/dbraw/zinc/96/06/60/1294960660.db2.gz HCUNQHUFCVPKTJ-RTBURBONSA-N 2 1 335.536 2.996 20 30 EFEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617642 1295144579 /nfs/dbraw/zinc/14/45/79/1295144579.db2.gz PRLMEBJQTUSACJ-QZTJIDSGSA-N 2 1 345.487 2.503 20 30 EFEDMP CCOCC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859402 1313137966 /nfs/dbraw/zinc/13/79/66/1313137966.db2.gz YJYBSJIOCQAQAW-UHFFFAOYSA-N 2 1 344.503 2.611 20 30 EFEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198903220 1295306646 /nfs/dbraw/zinc/30/66/46/1295306646.db2.gz XMCPRTBDMDYWQO-FUHWJXTLSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198903221 1295307059 /nfs/dbraw/zinc/30/70/59/1295307059.db2.gz XMCPRTBDMDYWQO-SJLPKXTDSA-N 2 1 345.487 2.503 20 30 EFEDMP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198993270 1295388717 /nfs/dbraw/zinc/38/87/17/1295388717.db2.gz MDLXIGFEYAPAAQ-GOSISDBHSA-N 2 1 347.503 2.749 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049665268 1313157692 /nfs/dbraw/zinc/15/76/92/1313157692.db2.gz UUDOPLCWCVZLIV-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049665268 1313157695 /nfs/dbraw/zinc/15/76/95/1313157695.db2.gz UUDOPLCWCVZLIV-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049665268 1313157697 /nfs/dbraw/zinc/15/76/97/1313157697.db2.gz UUDOPLCWCVZLIV-GBESFXJTSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049670761 1313162828 /nfs/dbraw/zinc/16/28/28/1313162828.db2.gz GPYPKJPOOVERNQ-QAETUUGQSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670761 1313162830 /nfs/dbraw/zinc/16/28/30/1313162830.db2.gz GPYPKJPOOVERNQ-QAETUUGQSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670761 1313162833 /nfs/dbraw/zinc/16/28/33/1313162833.db2.gz GPYPKJPOOVERNQ-QAETUUGQSA-N 2 1 339.911 2.535 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670761 1313162835 /nfs/dbraw/zinc/16/28/35/1313162835.db2.gz GPYPKJPOOVERNQ-QAETUUGQSA-N 2 1 339.911 2.535 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642114 1313175561 /nfs/dbraw/zinc/17/55/61/1313175561.db2.gz HFWIIYJYXLOVPR-MSOLQXFVSA-N 2 1 341.515 2.945 20 30 EFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739478 1295746916 /nfs/dbraw/zinc/74/69/16/1295746916.db2.gz BGCAGPCNCIWJNA-HNNXBMFYSA-N 2 1 347.894 2.752 20 30 EFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304741033 1295747988 /nfs/dbraw/zinc/74/79/88/1295747988.db2.gz BZNRJVOGRWRVRP-OAHLLOKOSA-N 2 1 332.492 2.506 20 30 EFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000304746120 1295748720 /nfs/dbraw/zinc/74/87/20/1295748720.db2.gz FNUVKIOLASVOTQ-LLVKDONJSA-N 2 1 330.354 2.654 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755675 1295750919 /nfs/dbraw/zinc/75/09/19/1295750919.db2.gz NAEIWABKAMROPI-GOSISDBHSA-N 2 1 346.519 2.653 20 30 EFEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274271008 1296049795 /nfs/dbraw/zinc/04/97/95/1296049795.db2.gz YUSPBYQCXSLRII-HXUWFJFHSA-N 2 1 338.455 2.954 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000892 1313219527 /nfs/dbraw/zinc/21/95/27/1313219527.db2.gz MKNIBPLAKLFVQN-IEBWSBKVSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717935 1313219318 /nfs/dbraw/zinc/21/93/18/1313219318.db2.gz HQKJUKSDZGIJBY-VQTJNVASSA-N 2 1 341.499 2.656 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959916119 1296234146 /nfs/dbraw/zinc/23/41/46/1296234146.db2.gz UPECXQIDFMUZIS-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959916119 1296234154 /nfs/dbraw/zinc/23/41/54/1296234154.db2.gz UPECXQIDFMUZIS-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959916119 1296234168 /nfs/dbraw/zinc/23/41/68/1296234168.db2.gz UPECXQIDFMUZIS-LMCOJAPRSA-N 2 1 345.531 2.654 20 30 EFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001275327085 1296259160 /nfs/dbraw/zinc/25/91/60/1296259160.db2.gz IGBJMUBEBHEROR-UHFFFAOYSA-N 2 1 344.478 2.547 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754426 1313260089 /nfs/dbraw/zinc/26/00/89/1313260089.db2.gz NLHRPISVMHPEAO-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049754426 1313260093 /nfs/dbraw/zinc/26/00/93/1313260093.db2.gz NLHRPISVMHPEAO-IAGOWNOFSA-N 2 1 330.476 2.648 20 30 EFEDMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030197 1296493617 /nfs/dbraw/zinc/49/36/17/1296493617.db2.gz BZDQZROGVIMRFM-YSHGAJCASA-N 2 1 326.488 2.697 20 30 EFEDMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030197 1296493625 /nfs/dbraw/zinc/49/36/25/1296493625.db2.gz BZDQZROGVIMRFM-YSHGAJCASA-N 2 1 326.488 2.697 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283413 1313264249 /nfs/dbraw/zinc/26/42/49/1313264249.db2.gz BKHIBTJWEWNOPY-RBUKOAKNSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283410 1313264403 /nfs/dbraw/zinc/26/44/03/1313264403.db2.gz BKHIBTJWEWNOPY-MOPGFXCFSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761641 1313271363 /nfs/dbraw/zinc/27/13/63/1313271363.db2.gz KXEYEHGGSXANER-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761641 1313271366 /nfs/dbraw/zinc/27/13/66/1313271366.db2.gz KXEYEHGGSXANER-IRXDYDNUSA-N 2 1 330.476 2.648 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCCC)CC1 ZINC001201094069 1296568518 /nfs/dbraw/zinc/56/85/18/1296568518.db2.gz MPAJIUARYTWLLA-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCCC)CC1 ZINC001201094069 1296568532 /nfs/dbraw/zinc/56/85/32/1296568532.db2.gz MPAJIUARYTWLLA-IBGZPJMESA-N 2 1 333.520 2.635 20 30 EFEDMP C=CCCCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235279152 1313281406 /nfs/dbraw/zinc/28/14/06/1313281406.db2.gz YRDBBGXAGKQXET-JKSUJKDBSA-N 2 1 348.409 2.750 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235279152 1313281408 /nfs/dbraw/zinc/28/14/08/1313281408.db2.gz YRDBBGXAGKQXET-JKSUJKDBSA-N 2 1 348.409 2.750 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000960263354 1296668496 /nfs/dbraw/zinc/66/84/96/1296668496.db2.gz VHPLEXKZFUGKRG-VAMGGRTRSA-N 2 1 341.499 2.807 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960267352 1296673965 /nfs/dbraw/zinc/67/39/65/1296673965.db2.gz BKMBOFAEVALNHB-MTQWCTHYSA-N 2 1 341.499 2.665 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960272572 1296683569 /nfs/dbraw/zinc/68/35/69/1296683569.db2.gz DZOHYGMSBWYGKQ-VAMGGRTRSA-N 2 1 341.499 2.809 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458845 1313293018 /nfs/dbraw/zinc/29/30/18/1313293018.db2.gz YBDLUPQOEZIPHU-RBUKOAKNSA-N 2 1 347.478 2.626 20 30 EFEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461823 1313293830 /nfs/dbraw/zinc/29/38/30/1313293830.db2.gz PAGDHMRIDSXHFR-QGZVFWFLSA-N 2 1 330.476 2.555 20 30 EFEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461459 1313293897 /nfs/dbraw/zinc/29/38/97/1313293897.db2.gz KCEGSCDSOACCJV-FUHWJXTLSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000960311362 1296727279 /nfs/dbraw/zinc/72/72/79/1296727279.db2.gz WEZHXSQUXDODOB-IEBWSBKVSA-N 2 1 338.455 2.564 20 30 EFEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593549 1313319548 /nfs/dbraw/zinc/31/95/48/1313319548.db2.gz BJJYZRAXAHPOFG-IBGZPJMESA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H](N)Cc1ccccc1)C2 ZINC001235466102 1313330006 /nfs/dbraw/zinc/33/00/06/1313330006.db2.gz IQKJTDQQDSWUQB-CTNGQTDRSA-N 2 1 341.499 2.590 20 30 EFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668597 1313334528 /nfs/dbraw/zinc/33/45/28/1313334528.db2.gz GXYVDXFUOZXEAW-PKOBYXMFSA-N 2 1 347.478 2.628 20 30 EFEDMP N#CCCCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277948332 1313334593 /nfs/dbraw/zinc/33/45/93/1313334593.db2.gz HLHRDIJYQKYBJU-UHFFFAOYSA-N 2 1 329.492 2.755 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674632 1313335586 /nfs/dbraw/zinc/33/55/86/1313335586.db2.gz XELJQHJYTYFHRH-PKOBYXMFSA-N 2 1 347.478 2.628 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685973 1313337746 /nfs/dbraw/zinc/33/77/46/1313337746.db2.gz LTNXPBHARSHXQW-PKOBYXMFSA-N 2 1 347.478 2.626 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001235511763 1313339741 /nfs/dbraw/zinc/33/97/41/1313339741.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001235511763 1313339745 /nfs/dbraw/zinc/33/97/45/1313339745.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001235511765 1313340725 /nfs/dbraw/zinc/34/07/25/1313340725.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001235511765 1313340727 /nfs/dbraw/zinc/34/07/27/1313340727.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 1 330.476 2.792 20 30 EFEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809912 1297094577 /nfs/dbraw/zinc/09/45/77/1297094577.db2.gz RELOJUYUKIOROA-SFHVURJKSA-N 2 1 341.540 2.506 20 30 EFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835539 1313365430 /nfs/dbraw/zinc/36/54/30/1313365430.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835539 1313365434 /nfs/dbraw/zinc/36/54/34/1313365434.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835539 1313365439 /nfs/dbraw/zinc/36/54/39/1313365439.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 2 1 333.520 2.892 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837255 1313369288 /nfs/dbraw/zinc/36/92/88/1313369288.db2.gz AMGYVRYMKXOCMW-VQTJNVASSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578750 1297317576 /nfs/dbraw/zinc/31/75/76/1297317576.db2.gz WAEVBTHMCQXOAT-HZMVEIRTSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578750 1297317585 /nfs/dbraw/zinc/31/75/85/1297317585.db2.gz WAEVBTHMCQXOAT-HZMVEIRTSA-N 2 1 330.476 2.694 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839185 1313370679 /nfs/dbraw/zinc/37/06/79/1313370679.db2.gz BVGCELJMDDDTHF-WOJBJXKFSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCOc1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc1 ZINC001235816308 1313403601 /nfs/dbraw/zinc/40/36/01/1313403601.db2.gz UMDHCOHBCLSLII-UHFFFAOYSA-N 2 1 329.488 2.511 20 30 EFEDMP C=CCOc1ccccc1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235815710 1313403819 /nfs/dbraw/zinc/40/38/19/1313403819.db2.gz NPBVRCUECKBUOF-UHFFFAOYSA-N 2 1 329.488 2.511 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549752 1313408702 /nfs/dbraw/zinc/40/87/02/1313408702.db2.gz LRKOCHYKAGHMBC-CADBVGFASA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549752 1313408703 /nfs/dbraw/zinc/40/87/03/1313408703.db2.gz LRKOCHYKAGHMBC-CADBVGFASA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549752 1313408707 /nfs/dbraw/zinc/40/87/07/1313408707.db2.gz LRKOCHYKAGHMBC-CADBVGFASA-N 2 1 331.504 2.502 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049868434 1313409636 /nfs/dbraw/zinc/40/96/36/1313409636.db2.gz TUKHCCNFCJEEOH-BJLQDIEVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001049868434 1313409640 /nfs/dbraw/zinc/40/96/40/1313409640.db2.gz TUKHCCNFCJEEOH-BJLQDIEVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001049868434 1313409643 /nfs/dbraw/zinc/40/96/43/1313409643.db2.gz TUKHCCNFCJEEOH-BJLQDIEVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270351 1297779350 /nfs/dbraw/zinc/77/93/50/1297779350.db2.gz OWFRKUZMLCLZPC-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270351 1297779363 /nfs/dbraw/zinc/77/93/63/1297779363.db2.gz OWFRKUZMLCLZPC-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270351 1297779371 /nfs/dbraw/zinc/77/93/71/1297779371.db2.gz OWFRKUZMLCLZPC-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270351 1297779378 /nfs/dbraw/zinc/77/93/78/1297779378.db2.gz OWFRKUZMLCLZPC-YSTOQKLRSA-N 2 1 341.499 2.977 20 30 EFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282196 1313431420 /nfs/dbraw/zinc/43/14/20/1313431420.db2.gz RRUXWXWZDVWDDO-PKOBYXMFSA-N 2 1 337.552 2.983 20 30 EFEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206287589 1313432003 /nfs/dbraw/zinc/43/20/03/1313432003.db2.gz FGKJHMJBUHRMRR-QGZVFWFLSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615571 1297843765 /nfs/dbraw/zinc/84/37/65/1297843765.db2.gz JMZCPLQXWAGLDI-CABCVRRESA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615571 1297843779 /nfs/dbraw/zinc/84/37/79/1297843779.db2.gz JMZCPLQXWAGLDI-CABCVRRESA-N 2 1 327.900 2.582 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439782 1298008957 /nfs/dbraw/zinc/00/89/57/1298008957.db2.gz VMOSRRQCIHGWDB-PKOBYXMFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439782 1298008968 /nfs/dbraw/zinc/00/89/68/1298008968.db2.gz VMOSRRQCIHGWDB-PKOBYXMFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439782 1298008976 /nfs/dbraw/zinc/00/89/76/1298008976.db2.gz VMOSRRQCIHGWDB-PKOBYXMFSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439779 1298010132 /nfs/dbraw/zinc/01/01/32/1298010132.db2.gz VMOSRRQCIHGWDB-HKUYNNGSSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439779 1298010143 /nfs/dbraw/zinc/01/01/43/1298010143.db2.gz VMOSRRQCIHGWDB-HKUYNNGSSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439779 1298010153 /nfs/dbraw/zinc/01/01/53/1298010153.db2.gz VMOSRRQCIHGWDB-HKUYNNGSSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907221 1313466279 /nfs/dbraw/zinc/46/62/79/1313466279.db2.gz BMYUDBISGYOSTM-RTBURBONSA-N 2 1 327.472 2.613 20 30 EFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236321662 1313469447 /nfs/dbraw/zinc/46/94/47/1313469447.db2.gz VHSNXFAYEIEKBK-GASCZTMLSA-N 2 1 334.261 2.752 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914903 1313478011 /nfs/dbraw/zinc/47/80/11/1313478011.db2.gz SCIDXUPNNZZGEL-GUDVDZBRSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199445 1298304450 /nfs/dbraw/zinc/30/44/50/1298304450.db2.gz KJTIRDQKMQSPHZ-OALUTQOASA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242725 1298401252 /nfs/dbraw/zinc/40/12/52/1298401252.db2.gz VQZOAYKOVPKVPQ-DLBZAZTESA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252440 1298423589 /nfs/dbraw/zinc/42/35/89/1298423589.db2.gz OEBCNLSFENMROB-PMACEKPBSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC001206782992 1313507421 /nfs/dbraw/zinc/50/74/21/1313507421.db2.gz KPXNIJJCPCFZIK-UHFFFAOYSA-N 2 1 343.515 2.795 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268844 1298458092 /nfs/dbraw/zinc/45/80/92/1298458092.db2.gz GHKVMSGFRZIBAT-IRXDYDNUSA-N 2 1 342.487 2.508 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276838 1298474614 /nfs/dbraw/zinc/47/46/14/1298474614.db2.gz WPOAAIQHSMJXLN-VQTJNVASSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869160 1313530354 /nfs/dbraw/zinc/53/03/54/1313530354.db2.gz VQIDYKLAGZKIRO-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961376242 1298644660 /nfs/dbraw/zinc/64/46/60/1298644660.db2.gz RFTVCZNRADCMJT-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961376242 1298644673 /nfs/dbraw/zinc/64/46/73/1298644673.db2.gz RFTVCZNRADCMJT-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961376242 1298644687 /nfs/dbraw/zinc/64/46/87/1298644687.db2.gz RFTVCZNRADCMJT-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961377990 1298648811 /nfs/dbraw/zinc/64/88/11/1298648811.db2.gz JRGIOQDXIHODJI-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377990 1298648819 /nfs/dbraw/zinc/64/88/19/1298648819.db2.gz JRGIOQDXIHODJI-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961377990 1298648839 /nfs/dbraw/zinc/64/88/39/1298648839.db2.gz JRGIOQDXIHODJI-WOJBJXKFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395514 1298684466 /nfs/dbraw/zinc/68/44/66/1298684466.db2.gz KLSIUYDNIXOWKG-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395514 1298684475 /nfs/dbraw/zinc/68/44/75/1298684475.db2.gz KLSIUYDNIXOWKG-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395514 1298684479 /nfs/dbraw/zinc/68/44/79/1298684479.db2.gz KLSIUYDNIXOWKG-YSIASYRMSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704126 /nfs/dbraw/zinc/70/41/26/1298704126.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704128 /nfs/dbraw/zinc/70/41/28/1298704128.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704133 /nfs/dbraw/zinc/70/41/33/1298704133.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704240 /nfs/dbraw/zinc/70/42/40/1298704240.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704253 /nfs/dbraw/zinc/70/42/53/1298704253.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704265 /nfs/dbraw/zinc/70/42/65/1298704265.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410830 1298705656 /nfs/dbraw/zinc/70/56/56/1298705656.db2.gz JSUUZIVIBWVNPX-MOPGFXCFSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707956 /nfs/dbraw/zinc/70/79/56/1298707956.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707963 /nfs/dbraw/zinc/70/79/63/1298707963.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707965 /nfs/dbraw/zinc/70/79/65/1298707965.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961424611 1298731829 /nfs/dbraw/zinc/73/18/29/1298731829.db2.gz VGTIWQNCQWGKBM-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961442460 1298754401 /nfs/dbraw/zinc/75/44/01/1298754401.db2.gz SWAGDEVFBUZFDJ-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442460 1298754405 /nfs/dbraw/zinc/75/44/05/1298754405.db2.gz SWAGDEVFBUZFDJ-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442460 1298754413 /nfs/dbraw/zinc/75/44/13/1298754413.db2.gz SWAGDEVFBUZFDJ-UXHICEINSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961442464 1298754630 /nfs/dbraw/zinc/75/46/30/1298754630.db2.gz SWAGDEVFBUZFDJ-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442464 1298754633 /nfs/dbraw/zinc/75/46/33/1298754633.db2.gz SWAGDEVFBUZFDJ-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961442464 1298754641 /nfs/dbraw/zinc/75/46/41/1298754641.db2.gz SWAGDEVFBUZFDJ-VQTJNVASSA-N 2 1 347.547 2.855 20 30 EFEDMP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236893977 1313547493 /nfs/dbraw/zinc/54/74/93/1313547493.db2.gz PGJMKRPCARVBTF-UHFFFAOYSA-N 2 1 334.467 2.942 20 30 EFEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953516 1313569532 /nfs/dbraw/zinc/56/95/32/1313569532.db2.gz PDFUFTIYPSKQCP-GOSISDBHSA-N 2 1 349.906 2.870 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006932 1313587812 /nfs/dbraw/zinc/58/78/12/1313587812.db2.gz CNPHXHBVAQVVMQ-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006932 1313587815 /nfs/dbraw/zinc/58/78/15/1313587815.db2.gz CNPHXHBVAQVVMQ-IXDOHACOSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024169 1313645645 /nfs/dbraw/zinc/64/56/45/1313645645.db2.gz PSRKROSEYOWLSH-CALCHBBNSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024169 1313645648 /nfs/dbraw/zinc/64/56/48/1313645648.db2.gz PSRKROSEYOWLSH-CALCHBBNSA-N 2 1 330.476 2.648 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207262253 1313647754 /nfs/dbraw/zinc/64/77/54/1313647754.db2.gz GLEKADLKQLZGQH-FGTMMUONSA-N 2 1 341.515 2.849 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018027489 1313648306 /nfs/dbraw/zinc/64/83/06/1313648306.db2.gz VHOUCBKFWCFNMX-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027489 1313648309 /nfs/dbraw/zinc/64/83/09/1313648309.db2.gz VHOUCBKFWCFNMX-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027489 1313648312 /nfs/dbraw/zinc/64/83/12/1313648312.db2.gz VHOUCBKFWCFNMX-OTWHNJEPSA-N 2 1 333.520 2.891 20 30 EFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661000 1300008585 /nfs/dbraw/zinc/00/85/85/1300008585.db2.gz LAGFDUQHUKJKKQ-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661000 1300008594 /nfs/dbraw/zinc/00/85/94/1300008594.db2.gz LAGFDUQHUKJKKQ-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661000 1300008605 /nfs/dbraw/zinc/00/86/05/1300008605.db2.gz LAGFDUQHUKJKKQ-MKXGPGLRSA-N 2 1 333.520 2.937 20 30 EFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776742206 1300573096 /nfs/dbraw/zinc/57/30/96/1300573096.db2.gz ZFRAORDCDVNCPZ-LSDHHAIUSA-N 2 1 331.435 2.849 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313547 1300573827 /nfs/dbraw/zinc/57/38/27/1300573827.db2.gz GCUIHVRUMCYGAZ-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313531 1300574057 /nfs/dbraw/zinc/57/40/57/1300574057.db2.gz GCUIHVRUMCYGAZ-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315444 1300580183 /nfs/dbraw/zinc/58/01/83/1300580183.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315444 1300580188 /nfs/dbraw/zinc/58/01/88/1300580188.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315444 1300580194 /nfs/dbraw/zinc/58/01/94/1300580194.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327499 1300609485 /nfs/dbraw/zinc/60/94/85/1300609485.db2.gz CRBSDPPOWRAHKB-IEBWSBKVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327500 1300610642 /nfs/dbraw/zinc/61/06/42/1300610642.db2.gz CRBSDPPOWRAHKB-MJGOQNOKSA-N 2 1 338.455 2.837 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328323 1300612599 /nfs/dbraw/zinc/61/25/99/1300612599.db2.gz NUSCFFTXTSOLJZ-QZTJIDSGSA-N 2 1 331.504 2.504 20 30 EFEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963332282 1300619189 /nfs/dbraw/zinc/61/91/89/1300619189.db2.gz XFUVDDIIWTVZIL-LMDPOFIKSA-N 2 1 345.531 2.633 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344966 1300649765 /nfs/dbraw/zinc/64/97/65/1300649765.db2.gz BRWNZXAHMGRQSN-MOPGFXCFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963358196 1300679847 /nfs/dbraw/zinc/67/98/47/1300679847.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358196 1300679849 /nfs/dbraw/zinc/67/98/49/1300679849.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358196 1300679852 /nfs/dbraw/zinc/67/98/52/1300679852.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358203 1300681438 /nfs/dbraw/zinc/68/14/38/1300681438.db2.gz PJMJBNAILBKPTD-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384212 1300741152 /nfs/dbraw/zinc/74/11/52/1300741152.db2.gz RRAMCYVQPSZKLS-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000963385208 1300743487 /nfs/dbraw/zinc/74/34/87/1300743487.db2.gz ALDLLKNNDQDNAS-JCYILVPMSA-N 2 1 341.927 2.973 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417608 1300809651 /nfs/dbraw/zinc/80/96/51/1300809651.db2.gz ORONCXKXYMVXPL-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417607 1300809875 /nfs/dbraw/zinc/80/98/75/1300809875.db2.gz ORONCXKXYMVXPL-DLBZAZTESA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429617 1300837208 /nfs/dbraw/zinc/83/72/08/1300837208.db2.gz QHLSTGGQNLFIEE-RBUKOAKNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176917 1313728368 /nfs/dbraw/zinc/72/83/68/1313728368.db2.gz SMUGCUGJXSVPIH-HCXYKTFWSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964167218 1301684515 /nfs/dbraw/zinc/68/45/15/1301684515.db2.gz JWYSTEQACCOIHF-WZXTXQKWSA-N 2 1 333.520 2.700 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868153 1313793062 /nfs/dbraw/zinc/79/30/62/1313793062.db2.gz KHCVMKSFDDHTMZ-RVKKMQEKSA-N 2 1 326.444 2.739 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000964438681 1301836692 /nfs/dbraw/zinc/83/66/92/1301836692.db2.gz ZCATYNRYDLKGMS-OFLPRAFFSA-N 2 1 341.927 2.973 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008159 1313823389 /nfs/dbraw/zinc/82/33/89/1313823389.db2.gz ONICXYCYGPTFSH-JFIYKMOQSA-N 2 1 344.503 2.553 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008159 1313823393 /nfs/dbraw/zinc/82/33/93/1313823393.db2.gz ONICXYCYGPTFSH-JFIYKMOQSA-N 2 1 344.503 2.553 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208050248 1313835184 /nfs/dbraw/zinc/83/51/84/1313835184.db2.gz WWFUGMFIOZGHCF-ZWKOTPCHSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1(C)CC[NH+](C)CC1)CCO2 ZINC001208106767 1313848034 /nfs/dbraw/zinc/84/80/34/1313848034.db2.gz KLTIJQVDKNZISY-UYAOXDASSA-N 2 1 336.520 2.792 20 30 EFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108003 1313848975 /nfs/dbraw/zinc/84/89/75/1313848975.db2.gz ZLOUOGKVTUNJRX-HXUWFJFHSA-N 2 1 333.520 2.751 20 30 EFEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114618781 1303047403 /nfs/dbraw/zinc/04/74/03/1303047403.db2.gz KYTFOMLNSYZAFR-FUMNGEBKSA-N 2 1 347.547 2.878 20 30 EFEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933260 1303466792 /nfs/dbraw/zinc/46/67/92/1303466792.db2.gz WCZZEFPWEUZBAL-HVEGKCCWSA-N 2 1 339.911 2.630 20 30 EFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001208593294 1313970765 /nfs/dbraw/zinc/97/07/65/1313970765.db2.gz GQILKBAKVNJVRQ-FQEVSTJZSA-N 2 1 349.519 2.829 20 30 EFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596635 1313971987 /nfs/dbraw/zinc/97/19/87/1313971987.db2.gz WEOOKSNPCDJKLU-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]2CC ZINC001208607092 1313976691 /nfs/dbraw/zinc/97/66/91/1313976691.db2.gz IZPXGDPSFKKILP-GGPKGHCWSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]2CC ZINC001208607092 1313976696 /nfs/dbraw/zinc/97/66/96/1313976696.db2.gz IZPXGDPSFKKILP-GGPKGHCWSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]2CC ZINC001208607092 1313976697 /nfs/dbraw/zinc/97/66/97/1313976697.db2.gz IZPXGDPSFKKILP-GGPKGHCWSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]2CC ZINC001208607092 1313976700 /nfs/dbraw/zinc/97/67/00/1313976700.db2.gz IZPXGDPSFKKILP-GGPKGHCWSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423706 1304975751 /nfs/dbraw/zinc/97/57/51/1304975751.db2.gz IOJGVIGLURGRBD-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376787 1306213568 /nfs/dbraw/zinc/21/35/68/1306213568.db2.gz BLTSQDMQIJYDCF-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376787 1306213579 /nfs/dbraw/zinc/21/35/79/1306213579.db2.gz BLTSQDMQIJYDCF-DLBZAZTESA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376788 1306214211 /nfs/dbraw/zinc/21/42/11/1306214211.db2.gz BLTSQDMQIJYDCF-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376788 1306214219 /nfs/dbraw/zinc/21/42/19/1306214219.db2.gz BLTSQDMQIJYDCF-IAGOWNOFSA-N 2 1 332.492 2.799 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416943 1306287141 /nfs/dbraw/zinc/28/71/41/1306287141.db2.gz BWDPWFTVRSTSMP-APWZRJJASA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676660 1306559628 /nfs/dbraw/zinc/55/96/28/1306559628.db2.gz OIVRGSINFHNGMR-HZPDHXFCSA-N 2 1 339.911 2.584 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681097 1306563129 /nfs/dbraw/zinc/56/31/29/1306563129.db2.gz GRTNYVYBJUKNDI-QFBILLFUSA-N 2 1 329.488 2.765 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867323 1306738164 /nfs/dbraw/zinc/73/81/64/1306738164.db2.gz UOYJXVASBNWQQX-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867323 1306738167 /nfs/dbraw/zinc/73/81/67/1306738167.db2.gz UOYJXVASBNWQQX-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867323 1306738171 /nfs/dbraw/zinc/73/81/71/1306738171.db2.gz UOYJXVASBNWQQX-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867323 1306738176 /nfs/dbraw/zinc/73/81/76/1306738176.db2.gz UOYJXVASBNWQQX-YESZJQIVSA-N 2 1 341.927 2.830 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000968876933 1306747827 /nfs/dbraw/zinc/74/78/27/1306747827.db2.gz KSQKBWPQZLRBPO-QGZVFWFLSA-N 2 1 347.528 2.807 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876933 1306747839 /nfs/dbraw/zinc/74/78/39/1306747839.db2.gz KSQKBWPQZLRBPO-QGZVFWFLSA-N 2 1 347.528 2.807 20 30 EFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925357 1306803195 /nfs/dbraw/zinc/80/31/95/1306803195.db2.gz AWUVNCBORLFVGZ-INIZCTEOSA-N 2 1 326.444 2.803 20 30 EFEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955226 1306836804 /nfs/dbraw/zinc/83/68/04/1306836804.db2.gz PHBBGFMDJSKVMJ-KRWDZBQOSA-N 2 1 326.444 2.885 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001673 1306875341 /nfs/dbraw/zinc/87/53/41/1306875341.db2.gz FAUGYBMQTVAFDH-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001673 1306875346 /nfs/dbraw/zinc/87/53/46/1306875346.db2.gz FAUGYBMQTVAFDH-MSOLQXFVSA-N 2 1 344.503 2.691 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1CN(C)C ZINC000969005383 1306880529 /nfs/dbraw/zinc/88/05/29/1306880529.db2.gz ROZFCLUWMSUKHD-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005383 1306880533 /nfs/dbraw/zinc/88/05/33/1306880533.db2.gz ROZFCLUWMSUKHD-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005383 1306880538 /nfs/dbraw/zinc/88/05/38/1306880538.db2.gz ROZFCLUWMSUKHD-QGZVFWFLSA-N 2 1 333.476 2.892 20 30 EFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059388 1306933275 /nfs/dbraw/zinc/93/32/75/1306933275.db2.gz LQOWQXMCEXHXAR-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059388 1306933279 /nfs/dbraw/zinc/93/32/79/1306933279.db2.gz LQOWQXMCEXHXAR-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059388 1306933282 /nfs/dbraw/zinc/93/32/82/1306933282.db2.gz LQOWQXMCEXHXAR-RBUKOAKNSA-N 2 1 333.520 2.633 20 30 EFEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109043 1306985557 /nfs/dbraw/zinc/98/55/57/1306985557.db2.gz SSSSCONUCCFDMK-LJQANCHMSA-N 2 1 333.520 2.655 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241899531 1314162421 /nfs/dbraw/zinc/16/24/21/1314162421.db2.gz HQPJMYZZAIJEFZ-HXUWFJFHSA-N 2 1 349.482 2.876 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045502322 1307385539 /nfs/dbraw/zinc/38/55/39/1307385539.db2.gz JSZGVFQUKZOILA-UHFFFAOYSA-N 2 1 332.835 2.671 20 30 EFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695081 1314199034 /nfs/dbraw/zinc/19/90/34/1314199034.db2.gz QQIVBPHFNYJCHK-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695081 1314199036 /nfs/dbraw/zinc/19/90/36/1314199036.db2.gz QQIVBPHFNYJCHK-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695081 1314199038 /nfs/dbraw/zinc/19/90/38/1314199038.db2.gz QQIVBPHFNYJCHK-YRXWBPOGSA-N 2 1 331.504 2.691 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053509 1307788747 /nfs/dbraw/zinc/78/87/47/1307788747.db2.gz VGVYVLLQTOTYIG-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065301 1307793879 /nfs/dbraw/zinc/79/38/79/1307793879.db2.gz HYZINIJCTGVDKS-IBGZPJMESA-N 2 1 343.515 2.951 20 30 EFEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938301 1307940246 /nfs/dbraw/zinc/94/02/46/1307940246.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938301 1307940252 /nfs/dbraw/zinc/94/02/52/1307940252.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938301 1307940256 /nfs/dbraw/zinc/94/02/56/1307940256.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938276 1307940341 /nfs/dbraw/zinc/94/03/41/1307940341.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938276 1307940344 /nfs/dbraw/zinc/94/03/44/1307940344.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938276 1307940347 /nfs/dbraw/zinc/94/03/47/1307940347.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 2 1 333.520 2.750 20 30 EFEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943062 1307956394 /nfs/dbraw/zinc/95/63/94/1307956394.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045943062 1307956399 /nfs/dbraw/zinc/95/63/99/1307956399.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045943062 1307956402 /nfs/dbraw/zinc/95/64/02/1307956402.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943893 1307958757 /nfs/dbraw/zinc/95/87/57/1307958757.db2.gz QVNYANRVSNOEJN-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943768 1307959765 /nfs/dbraw/zinc/95/97/65/1307959765.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943768 1307959769 /nfs/dbraw/zinc/95/97/69/1307959769.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943768 1307959774 /nfs/dbraw/zinc/95/97/74/1307959774.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 2 1 333.520 2.751 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945163 1307963237 /nfs/dbraw/zinc/96/32/37/1307963237.db2.gz NUEVKUWBHCAZHS-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945163 1307963240 /nfs/dbraw/zinc/96/32/40/1307963240.db2.gz NUEVKUWBHCAZHS-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947582 1307970040 /nfs/dbraw/zinc/97/00/40/1307970040.db2.gz MTDJBBCKRRFJKU-QUCCMNQESA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950514 1307979059 /nfs/dbraw/zinc/97/90/59/1307979059.db2.gz DRMMVKOROXNABN-HXUWFJFHSA-N 2 1 338.455 2.839 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1ccnc1)C2 ZINC001045958186 1307999295 /nfs/dbraw/zinc/99/92/95/1307999295.db2.gz LVWPNLVAPBEKGV-HXUWFJFHSA-N 2 1 344.503 2.944 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961262 1308008601 /nfs/dbraw/zinc/00/86/01/1308008601.db2.gz JYPIRWQAOQMLEQ-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961262 1308008605 /nfs/dbraw/zinc/00/86/05/1308008605.db2.gz JYPIRWQAOQMLEQ-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961262 1308008613 /nfs/dbraw/zinc/00/86/13/1308008613.db2.gz JYPIRWQAOQMLEQ-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961265 1308008935 /nfs/dbraw/zinc/00/89/35/1308008935.db2.gz KFEPRGHGCUBAMH-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961265 1308008937 /nfs/dbraw/zinc/00/89/37/1308008937.db2.gz KFEPRGHGCUBAMH-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961265 1308008941 /nfs/dbraw/zinc/00/89/41/1308008941.db2.gz KFEPRGHGCUBAMH-IRFCIJBXSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962715 1308012349 /nfs/dbraw/zinc/01/23/49/1308012349.db2.gz QTENFPGZUAXIOV-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965570 1308020393 /nfs/dbraw/zinc/02/03/93/1308020393.db2.gz JFJODCFGCBRCGH-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965570 1308020396 /nfs/dbraw/zinc/02/03/96/1308020396.db2.gz JFJODCFGCBRCGH-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965570 1308020400 /nfs/dbraw/zinc/02/04/00/1308020400.db2.gz JFJODCFGCBRCGH-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965953 1308020932 /nfs/dbraw/zinc/02/09/32/1308020932.db2.gz NMBLZEHAPQCCHA-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965953 1308020940 /nfs/dbraw/zinc/02/09/40/1308020940.db2.gz NMBLZEHAPQCCHA-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965953 1308020946 /nfs/dbraw/zinc/02/09/46/1308020946.db2.gz NMBLZEHAPQCCHA-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966034 1308021344 /nfs/dbraw/zinc/02/13/44/1308021344.db2.gz YDUZJHGHHOSHRA-QUCCMNQESA-N 2 1 335.536 2.853 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966035 1308021824 /nfs/dbraw/zinc/02/18/24/1308021824.db2.gz YDUZJHGHHOSHRA-UYAOXDASSA-N 2 1 335.536 2.853 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045979519 1308062612 /nfs/dbraw/zinc/06/26/12/1308062612.db2.gz GVLXJEHUAQVSNE-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045979519 1308062615 /nfs/dbraw/zinc/06/26/15/1308062615.db2.gz GVLXJEHUAQVSNE-FQEVSTJZSA-N 2 1 342.487 2.652 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980234 1308066005 /nfs/dbraw/zinc/06/60/05/1308066005.db2.gz UZIGFXMMGRVHHY-FQEVSTJZSA-N 2 1 345.531 2.753 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985350 1308083391 /nfs/dbraw/zinc/08/33/91/1308083391.db2.gz RYPMXCZTSWBDMV-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985350 1308083395 /nfs/dbraw/zinc/08/33/95/1308083395.db2.gz RYPMXCZTSWBDMV-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985350 1308083400 /nfs/dbraw/zinc/08/34/00/1308083400.db2.gz RYPMXCZTSWBDMV-QUCCMNQESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986370 1308086659 /nfs/dbraw/zinc/08/66/59/1308086659.db2.gz OMXNHMQIYYPZRM-HXUWFJFHSA-N 2 1 333.520 2.753 20 30 EFEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986540 1308088312 /nfs/dbraw/zinc/08/83/12/1308088312.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986540 1308088319 /nfs/dbraw/zinc/08/83/19/1308088319.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986540 1308088323 /nfs/dbraw/zinc/08/83/23/1308088323.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541519 1308144500 /nfs/dbraw/zinc/14/45/00/1308144500.db2.gz RIWQYPCRSPYJGN-FQEVSTJZSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279420 1314250960 /nfs/dbraw/zinc/25/09/60/1314250960.db2.gz AVMLNLRLLNEQFO-RDJZCZTQSA-N 2 1 339.911 2.727 20 30 EFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1C#N ZINC001413200149 1308626138 /nfs/dbraw/zinc/62/61/38/1308626138.db2.gz CHTWEJXPJVJWMK-QGZVFWFLSA-N 2 1 332.467 2.545 20 30 EFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104448 1308771936 /nfs/dbraw/zinc/77/19/36/1308771936.db2.gz JOROIULMFNNFLY-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104448 1308771940 /nfs/dbraw/zinc/77/19/40/1308771940.db2.gz JOROIULMFNNFLY-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104448 1308771942 /nfs/dbraw/zinc/77/19/42/1308771942.db2.gz JOROIULMFNNFLY-XWSJACJDSA-N 2 1 333.520 2.937 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619691 1308940100 /nfs/dbraw/zinc/94/01/00/1308940100.db2.gz YPSPGXUAMKBXDB-FQEVSTJZSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210174346 1314291559 /nfs/dbraw/zinc/29/15/59/1314291559.db2.gz DCKQJBJLBQPGOT-INIZCTEOSA-N 2 1 329.916 2.832 20 30 EFEDMP N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001210197193 1314294019 /nfs/dbraw/zinc/29/40/19/1314294019.db2.gz ZCNKDTYBFSOFOR-UHFFFAOYSA-N 2 1 346.478 2.522 20 30 EFEDMP N#CC1(c2ccccc2-c2ccc(C[NH+]3CC(O)C3)cc2)CC[NH2+]CC1 ZINC001243639654 1314306100 /nfs/dbraw/zinc/30/61/00/1314306100.db2.gz KANOHTPSNLYGCS-UHFFFAOYSA-N 2 1 347.462 2.675 20 30 EFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701373 1314310703 /nfs/dbraw/zinc/31/07/03/1314310703.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701373 1314310704 /nfs/dbraw/zinc/31/07/04/1314310704.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701373 1314310707 /nfs/dbraw/zinc/31/07/07/1314310707.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 2 1 339.499 2.746 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864427 1309561298 /nfs/dbraw/zinc/56/12/98/1309561298.db2.gz SOXLFUIYZVRROA-LJQANCHMSA-N 2 1 333.476 2.892 20 30 EFEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046996815 1309886712 /nfs/dbraw/zinc/88/67/12/1309886712.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046996815 1309886721 /nfs/dbraw/zinc/88/67/21/1309886721.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046996815 1309886731 /nfs/dbraw/zinc/88/67/31/1309886731.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 2 1 343.462 2.510 20 30 EFEDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(C#N)ccn1)Cc1ccccc12 ZINC001276687182 1314367208 /nfs/dbraw/zinc/36/72/08/1314367208.db2.gz OIDDMAWMZIIZBO-UHFFFAOYSA-N 2 1 332.451 2.932 20 30 EFEDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(C#N)ccn1)Cc1ccccc12 ZINC001276687182 1314367209 /nfs/dbraw/zinc/36/72/09/1314367209.db2.gz OIDDMAWMZIIZBO-UHFFFAOYSA-N 2 1 332.451 2.932 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786955 1314373240 /nfs/dbraw/zinc/37/32/40/1314373240.db2.gz FNDOWGQULMVFBU-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241417 1310391560 /nfs/dbraw/zinc/39/15/60/1310391560.db2.gz POVPBVASCMLIQQ-UXHICEINSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241423 1310391639 /nfs/dbraw/zinc/39/16/39/1310391639.db2.gz POVPBVASCMLIQQ-WOJBJXKFSA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244464 1310400416 /nfs/dbraw/zinc/40/04/16/1310400416.db2.gz REOWQXVCNNGXFV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047244471 1310400633 /nfs/dbraw/zinc/40/06/33/1310400633.db2.gz SIHADOJNDARQLQ-IBGZPJMESA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245143 1310402873 /nfs/dbraw/zinc/40/28/73/1310402873.db2.gz XTSOWSCFQUZRJM-UXHICEINSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047249529 1310414502 /nfs/dbraw/zinc/41/45/02/1310414502.db2.gz AKIHXYJOTNCKAI-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256064 1310429447 /nfs/dbraw/zinc/42/94/47/1310429447.db2.gz GATDAUIUIPCVES-QUCCMNQESA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256062 1310429493 /nfs/dbraw/zinc/42/94/93/1310429493.db2.gz GATDAUIUIPCVES-AZUAARDMSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265374 1310458031 /nfs/dbraw/zinc/45/80/31/1310458031.db2.gz ZBQLHHSEOZOAIR-ICSRJNTNSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669328 1311010472 /nfs/dbraw/zinc/01/04/72/1311010472.db2.gz HKYJKRDJNOVQJK-RCCFBDPRSA-N 2 1 331.504 2.502 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001221761891 1311027636 /nfs/dbraw/zinc/02/76/36/1311027636.db2.gz HHXXXRMRKDRWRZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761891 1311027640 /nfs/dbraw/zinc/02/76/40/1311027640.db2.gz HHXXXRMRKDRWRZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761891 1311027643 /nfs/dbraw/zinc/02/76/43/1311027643.db2.gz HHXXXRMRKDRWRZ-CEXWTWQISA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768265 1311029183 /nfs/dbraw/zinc/02/91/83/1311029183.db2.gz GUBCEGNOWWLUIB-JFIYKMOQSA-N 2 1 345.487 2.842 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768265 1311029186 /nfs/dbraw/zinc/02/91/86/1311029186.db2.gz GUBCEGNOWWLUIB-JFIYKMOQSA-N 2 1 345.487 2.842 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876721 1311047298 /nfs/dbraw/zinc/04/72/98/1311047298.db2.gz PTSJDOPAVMJLQY-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876721 1311047302 /nfs/dbraw/zinc/04/73/02/1311047302.db2.gz PTSJDOPAVMJLQY-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876721 1311047304 /nfs/dbraw/zinc/04/73/04/1311047304.db2.gz PTSJDOPAVMJLQY-RTBURBONSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889922 1311049333 /nfs/dbraw/zinc/04/93/33/1311049333.db2.gz VMOAWDSCHCSVSB-GUDVDZBRSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221933873 1311056941 /nfs/dbraw/zinc/05/69/41/1311056941.db2.gz RKGRSDQTJINYPD-WOJBJXKFSA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942613 1311057764 /nfs/dbraw/zinc/05/77/64/1311057764.db2.gz SMCLIMGHRMAJHI-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942613 1311057766 /nfs/dbraw/zinc/05/77/66/1311057766.db2.gz SMCLIMGHRMAJHI-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942613 1311057770 /nfs/dbraw/zinc/05/77/70/1311057770.db2.gz SMCLIMGHRMAJHI-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942613 1311057774 /nfs/dbraw/zinc/05/77/74/1311057774.db2.gz SMCLIMGHRMAJHI-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942613 1311057778 /nfs/dbraw/zinc/05/77/78/1311057778.db2.gz SMCLIMGHRMAJHI-AQNXPRMDSA-N 2 1 341.499 2.788 20 30 EFEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258267 1311080165 /nfs/dbraw/zinc/08/01/65/1311080165.db2.gz PBULEYLOKLJKGG-SFHVURJKSA-N 2 1 335.536 2.901 20 30 EFEDMP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001099490169 1311097443 /nfs/dbraw/zinc/09/74/43/1311097443.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490169 1311097448 /nfs/dbraw/zinc/09/74/48/1311097448.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001099490169 1311097451 /nfs/dbraw/zinc/09/74/51/1311097451.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001099491141 1311098008 /nfs/dbraw/zinc/09/80/08/1311098008.db2.gz YTSVOENSMPSAOP-VJANTYMQSA-N 2 1 345.531 2.606 20 30 EFEDMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526654 1311100662 /nfs/dbraw/zinc/10/06/62/1311100662.db2.gz AAFBRQIPCHMZDN-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548201 1311101363 /nfs/dbraw/zinc/10/13/63/1311101363.db2.gz RLSCFPOKXMKQQN-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548201 1311101364 /nfs/dbraw/zinc/10/13/64/1311101364.db2.gz RLSCFPOKXMKQQN-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548201 1311101367 /nfs/dbraw/zinc/10/13/67/1311101367.db2.gz RLSCFPOKXMKQQN-HAGHYFMRSA-N 2 1 347.547 2.853 20 30 EFEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924054 1311102908 /nfs/dbraw/zinc/10/29/08/1311102908.db2.gz IPDKEYCLYQHITA-QUCCMNQESA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000801924054 1311102911 /nfs/dbraw/zinc/10/29/11/1311102911.db2.gz IPDKEYCLYQHITA-QUCCMNQESA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000801924054 1311102913 /nfs/dbraw/zinc/10/29/13/1311102913.db2.gz IPDKEYCLYQHITA-QUCCMNQESA-N 2 1 327.472 2.903 20 30 EFEDMP C[C@H](C#N)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000801924054 1311102916 /nfs/dbraw/zinc/10/29/16/1311102916.db2.gz IPDKEYCLYQHITA-QUCCMNQESA-N 2 1 327.472 2.903 20 30 EFEDMP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1Br ZINC001222548483 1311151063 /nfs/dbraw/zinc/15/10/63/1311151063.db2.gz NMXCJLRQRXVRRU-UHFFFAOYSA-N 2 1 326.213 2.584 20 30 EFEDMP Cc1cc(C#N)ccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276858677 1311212130 /nfs/dbraw/zinc/21/21/30/1311212130.db2.gz KXJWENHMUMMUJC-RTWAWAEBSA-N 2 1 340.515 2.953 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101240041 1311229446 /nfs/dbraw/zinc/22/94/46/1311229446.db2.gz OZCKQJKMDHTQPW-NQIIRXRSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001223329578 1311244732 /nfs/dbraw/zinc/24/47/32/1311244732.db2.gz MEVZAPLCLAKMEO-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001223329578 1311244734 /nfs/dbraw/zinc/24/47/34/1311244734.db2.gz MEVZAPLCLAKMEO-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001223329578 1311244737 /nfs/dbraw/zinc/24/47/37/1311244737.db2.gz MEVZAPLCLAKMEO-AQNXPRMDSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3CN(C)C)C[C@@H]21 ZINC001223360912 1311250347 /nfs/dbraw/zinc/25/03/47/1311250347.db2.gz FWCMMUOJXRXOIF-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223360912 1311250350 /nfs/dbraw/zinc/25/03/50/1311250350.db2.gz FWCMMUOJXRXOIF-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223360912 1311250354 /nfs/dbraw/zinc/25/03/54/1311250354.db2.gz FWCMMUOJXRXOIF-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489402 1311267738 /nfs/dbraw/zinc/26/77/38/1311267738.db2.gz OSZHCUZTRBFVFY-IKGGRYGDSA-N 2 1 341.927 2.782 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489402 1311267741 /nfs/dbraw/zinc/26/77/41/1311267741.db2.gz OSZHCUZTRBFVFY-IKGGRYGDSA-N 2 1 341.927 2.782 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001223495170 1311268678 /nfs/dbraw/zinc/26/86/78/1311268678.db2.gz LYTVMDLUABDHIC-ICSRJNTNSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001223495170 1311268679 /nfs/dbraw/zinc/26/86/79/1311268679.db2.gz LYTVMDLUABDHIC-ICSRJNTNSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001223687857 1311292258 /nfs/dbraw/zinc/29/22/58/1311292258.db2.gz VBGMFNMEKUUKKZ-OAHLLOKOSA-N 2 1 348.491 2.533 20 30 EFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312819 1311302948 /nfs/dbraw/zinc/30/29/48/1311302948.db2.gz PRHAQQMWLJOFOT-IEBWSBKVSA-N 2 1 337.552 2.983 20 30 EFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467852 1311313230 /nfs/dbraw/zinc/31/32/30/1311313230.db2.gz WTZHYELWVHSEFO-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467852 1311313235 /nfs/dbraw/zinc/31/32/35/1311313235.db2.gz WTZHYELWVHSEFO-SJLPKXTDSA-N 2 1 332.492 2.622 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001103099297 1311344231 /nfs/dbraw/zinc/34/42/31/1311344231.db2.gz IZBWUVVPTMKOEW-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001103099297 1311344234 /nfs/dbraw/zinc/34/42/34/1311344234.db2.gz IZBWUVVPTMKOEW-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001103099297 1311344236 /nfs/dbraw/zinc/34/42/36/1311344236.db2.gz IZBWUVVPTMKOEW-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001103099297 1311344240 /nfs/dbraw/zinc/34/42/40/1311344240.db2.gz IZBWUVVPTMKOEW-RLLQIKCJSA-N 2 1 347.547 2.594 20 30 EFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495409 1311360431 /nfs/dbraw/zinc/36/04/31/1311360431.db2.gz BDBQDBZVDNGFNE-CEXWTWQISA-N 2 1 335.536 2.901 20 30 EFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224306085 1311373203 /nfs/dbraw/zinc/37/32/03/1311373203.db2.gz AXNXJLPZFUSIJJ-MSOLQXFVSA-N 2 1 332.492 2.776 20 30 EFEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866161 1311405598 /nfs/dbraw/zinc/40/55/98/1311405598.db2.gz MKINQIVZLCHDES-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866161 1311405600 /nfs/dbraw/zinc/40/56/00/1311405600.db2.gz MKINQIVZLCHDES-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866161 1311405602 /nfs/dbraw/zinc/40/56/02/1311405602.db2.gz MKINQIVZLCHDES-RBUKOAKNSA-N 2 1 335.536 2.997 20 30 EFEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980357 1311406127 /nfs/dbraw/zinc/40/61/27/1311406127.db2.gz WKGWPAVZVKWJCH-FPOVZHCZSA-N 2 1 347.547 2.692 20 30 EFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796266 1311436154 /nfs/dbraw/zinc/43/61/54/1311436154.db2.gz OSEDKSMEUAAJIH-RTBURBONSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884212 1311446302 /nfs/dbraw/zinc/44/63/02/1311446302.db2.gz QITKFQPXFFFVIC-KRWDZBQOSA-N 2 1 343.943 2.934 20 30 EFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001277007130 1311451375 /nfs/dbraw/zinc/45/13/75/1311451375.db2.gz LLGSPKZEAGDAIU-UHFFFAOYSA-N 2 1 344.478 2.547 20 30 EFEDMP C=CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143322 1311482071 /nfs/dbraw/zinc/48/20/71/1311482071.db2.gz XHKAEWWUMPYNQQ-IBGZPJMESA-N 2 1 329.488 2.694 20 30 EFEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591722 1311549312 /nfs/dbraw/zinc/54/93/12/1311549312.db2.gz YCSOSUKJNVNZGW-LJQANCHMSA-N 2 1 329.488 2.694 20 30 EFEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267373 1311639488 /nfs/dbraw/zinc/63/94/88/1311639488.db2.gz HTRACTVLGNIEKN-MISYRCLQSA-N 2 1 345.531 2.681 20 30 EFEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160351963 1311695016 /nfs/dbraw/zinc/69/50/16/1311695016.db2.gz ACOFGLAXYJBCEK-GOSISDBHSA-N 2 1 342.487 2.865 20 30 EFEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160351963 1311695020 /nfs/dbraw/zinc/69/50/20/1311695020.db2.gz ACOFGLAXYJBCEK-GOSISDBHSA-N 2 1 342.487 2.865 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001160385930 1311701688 /nfs/dbraw/zinc/70/16/88/1311701688.db2.gz CSXXTVDSDJRHGL-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001160385930 1311701690 /nfs/dbraw/zinc/70/16/90/1311701690.db2.gz CSXXTVDSDJRHGL-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160385930 1311701692 /nfs/dbraw/zinc/70/16/92/1311701692.db2.gz CSXXTVDSDJRHGL-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160385930 1311701693 /nfs/dbraw/zinc/70/16/93/1311701693.db2.gz CSXXTVDSDJRHGL-FQEVSTJZSA-N 2 1 345.531 2.659 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226766750 1311720220 /nfs/dbraw/zinc/72/02/20/1311720220.db2.gz PBPXYXFEMNPPDS-GUDVDZBRSA-N 2 1 335.536 2.948 20 30 EFEDMP N#Cc1ccc(-c2cccs2)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160519945 1311726477 /nfs/dbraw/zinc/72/64/77/1311726477.db2.gz OASAIASNHMMAIM-SFHVURJKSA-N 2 1 339.468 2.517 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/CCC ZINC001226860719 1311733977 /nfs/dbraw/zinc/73/39/77/1311733977.db2.gz QFBHWBYSTXYTTI-JCHUFIKGSA-N 2 1 345.531 2.847 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/CCC ZINC001226860719 1311733979 /nfs/dbraw/zinc/73/39/79/1311733979.db2.gz QFBHWBYSTXYTTI-JCHUFIKGSA-N 2 1 345.531 2.847 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226860762 1311734127 /nfs/dbraw/zinc/73/41/27/1311734127.db2.gz RAYZLFAMQSQMOG-QRVBRYPASA-N 2 1 333.520 2.537 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226860762 1311734131 /nfs/dbraw/zinc/73/41/31/1311734131.db2.gz RAYZLFAMQSQMOG-QRVBRYPASA-N 2 1 333.520 2.537 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567894 1311739306 /nfs/dbraw/zinc/73/93/06/1311739306.db2.gz OYTPWYWZVSBHFM-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567894 1311739308 /nfs/dbraw/zinc/73/93/08/1311739308.db2.gz OYTPWYWZVSBHFM-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567894 1311739312 /nfs/dbraw/zinc/73/93/12/1311739312.db2.gz OYTPWYWZVSBHFM-LJQANCHMSA-N 2 1 333.520 2.821 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676888 1311757047 /nfs/dbraw/zinc/75/70/47/1311757047.db2.gz KDWXWGBPBORARA-INIZCTEOSA-N 2 1 330.476 2.685 20 30 EFEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676888 1311757051 /nfs/dbraw/zinc/75/70/51/1311757051.db2.gz KDWXWGBPBORARA-INIZCTEOSA-N 2 1 330.476 2.685 20 30 EFEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787159 1311781511 /nfs/dbraw/zinc/78/15/11/1311781511.db2.gz JHBLKUWFBIJKNK-HXUWFJFHSA-N 2 1 345.531 2.965 20 30 EFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787445 1311781557 /nfs/dbraw/zinc/78/15/57/1311781557.db2.gz OADGTDQUIJULJJ-UHFFFAOYSA-N 2 1 333.520 2.823 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788144 1311781707 /nfs/dbraw/zinc/78/17/07/1311781707.db2.gz YYFOMXXDHSEOBH-LJQANCHMSA-N 2 1 331.504 2.575 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849290 1311796196 /nfs/dbraw/zinc/79/61/96/1311796196.db2.gz ODFZZPKUVXNIIH-VQTJNVASSA-N 2 1 341.499 2.892 20 30 EFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849290 1311796199 /nfs/dbraw/zinc/79/61/99/1311796199.db2.gz ODFZZPKUVXNIIH-VQTJNVASSA-N 2 1 341.499 2.892 20 30 EFEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227465056 1311810028 /nfs/dbraw/zinc/81/00/28/1311810028.db2.gz YYPBVCKHVFMEQJ-INIZCTEOSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525044 1311860374 /nfs/dbraw/zinc/86/03/74/1311860374.db2.gz ICVHYMYQMLEIDQ-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525044 1311860377 /nfs/dbraw/zinc/86/03/77/1311860377.db2.gz ICVHYMYQMLEIDQ-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525044 1311860379 /nfs/dbraw/zinc/86/03/79/1311860379.db2.gz ICVHYMYQMLEIDQ-OMZCGLGVSA-N 2 1 345.531 2.796 20 30 EFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527786 1311863976 /nfs/dbraw/zinc/86/39/76/1311863976.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527786 1311863978 /nfs/dbraw/zinc/86/39/78/1311863978.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527786 1311863980 /nfs/dbraw/zinc/86/39/80/1311863980.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 2 1 333.520 2.795 20 30 EFEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383106 1311874195 /nfs/dbraw/zinc/87/41/95/1311874195.db2.gz ISFSZTDQYKPLTG-UHFFFAOYSA-N 2 1 342.487 2.558 20 30 EFEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383106 1311874197 /nfs/dbraw/zinc/87/41/97/1311874197.db2.gz ISFSZTDQYKPLTG-UHFFFAOYSA-N 2 1 342.487 2.558 20 30 EFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537085 1311877421 /nfs/dbraw/zinc/87/74/21/1311877421.db2.gz IAZAXVLCCHRJEL-REPLKXPHSA-N 2 1 345.531 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444250 1311890877 /nfs/dbraw/zinc/89/08/77/1311890877.db2.gz AODRMYNOSGPCSO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444250 1311890879 /nfs/dbraw/zinc/89/08/79/1311890879.db2.gz AODRMYNOSGPCSO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444250 1311890881 /nfs/dbraw/zinc/89/08/81/1311890881.db2.gz AODRMYNOSGPCSO-MOPGFXCFSA-N 2 1 331.504 2.718 20 30 EFEDMP C=C(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 ZINC001048556537 1311900342 /nfs/dbraw/zinc/90/03/42/1311900342.db2.gz LJENUWALKIPEAZ-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(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 ZINC001048556537 1311900345 /nfs/dbraw/zinc/90/03/45/1311900345.db2.gz LJENUWALKIPEAZ-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP C=C(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 ZINC001048556537 1311900347 /nfs/dbraw/zinc/90/03/47/1311900347.db2.gz LJENUWALKIPEAZ-FKSLSLAPSA-N 2 1 333.520 2.652 20 30 EFEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001161496720 1311900972 /nfs/dbraw/zinc/90/09/72/1311900972.db2.gz BUJQRLZCNZXCOX-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496720 1311900974 /nfs/dbraw/zinc/90/09/74/1311900974.db2.gz BUJQRLZCNZXCOX-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496720 1311900976 /nfs/dbraw/zinc/90/09/76/1311900976.db2.gz BUJQRLZCNZXCOX-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572626 1311920979 /nfs/dbraw/zinc/92/09/79/1311920979.db2.gz PCPMPQZZEHFGRV-YRPNKDGESA-N 2 1 345.531 2.632 20 30 EFEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572626 1311920981 /nfs/dbraw/zinc/92/09/81/1311920981.db2.gz PCPMPQZZEHFGRV-YRPNKDGESA-N 2 1 345.531 2.632 20 30 EFEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001048584253 1311933907 /nfs/dbraw/zinc/93/39/07/1311933907.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001048584253 1311933909 /nfs/dbraw/zinc/93/39/09/1311933909.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001048584253 1311933914 /nfs/dbraw/zinc/93/39/14/1311933914.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 2 1 345.531 2.633 20 30 EFEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161678180 1311948688 /nfs/dbraw/zinc/94/86/88/1311948688.db2.gz ASPXJWLXYAQBHC-UHFFFAOYSA-N 2 1 333.520 2.660 20 30 EFEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925045 1312004907 /nfs/dbraw/zinc/00/49/07/1312004907.db2.gz VBQCTARRDBTCJK-HZPDHXFCSA-N 2 1 339.911 2.750 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925045 1312004909 /nfs/dbraw/zinc/00/49/09/1312004909.db2.gz VBQCTARRDBTCJK-HZPDHXFCSA-N 2 1 339.911 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952368 1312012770 /nfs/dbraw/zinc/01/27/70/1312012770.db2.gz HHLIGHHAULLJKE-IBGZPJMESA-N 2 1 333.520 2.821 20 30 EFEDMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000902796889 1312115462 /nfs/dbraw/zinc/11/54/62/1312115462.db2.gz RKWKTQQGWXONHI-IBGZPJMESA-N 2 1 342.487 2.542 20 30 EFEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001229615408 1312120145 /nfs/dbraw/zinc/12/01/45/1312120145.db2.gz JKIHGBUPDAJTGH-GUDVDZBRSA-N 2 1 333.520 2.681 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@H]2C1 ZINC001048827920 1312171097 /nfs/dbraw/zinc/17/10/97/1312171097.db2.gz NILVHWSRWTXEEG-OKZBNKHCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827920 1312171101 /nfs/dbraw/zinc/17/11/01/1312171101.db2.gz NILVHWSRWTXEEG-OKZBNKHCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827920 1312171103 /nfs/dbraw/zinc/17/11/03/1312171103.db2.gz NILVHWSRWTXEEG-OKZBNKHCSA-N 2 1 344.503 2.753 20 30 EFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001162849937 1312189501 /nfs/dbraw/zinc/18/95/01/1312189501.db2.gz OHNIDVBUCUMGFX-HXUWFJFHSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162850773 1312189789 /nfs/dbraw/zinc/18/97/89/1312189789.db2.gz QZOWGGWMGRNHTG-UHFFFAOYSA-N 2 1 345.531 2.954 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860855 1312203316 /nfs/dbraw/zinc/20/33/16/1312203316.db2.gz FDAQKZMDYJUSTO-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860855 1312203317 /nfs/dbraw/zinc/20/33/17/1312203317.db2.gz FDAQKZMDYJUSTO-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860855 1312203321 /nfs/dbraw/zinc/20/33/21/1312203321.db2.gz FDAQKZMDYJUSTO-OTWHNJEPSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001162929260 1312205920 /nfs/dbraw/zinc/20/59/20/1312205920.db2.gz UUQCNPCVAUDHPF-LJQANCHMSA-N 2 1 343.515 2.708 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603269 1312209054 /nfs/dbraw/zinc/20/90/54/1312209054.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603269 1312209058 /nfs/dbraw/zinc/20/90/58/1312209058.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603269 1312209060 /nfs/dbraw/zinc/20/90/60/1312209060.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957754 1312211279 /nfs/dbraw/zinc/21/12/79/1312211279.db2.gz BPBLTLRUJLVDDW-HNNXBMFYSA-N 2 1 341.459 2.578 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C(=O)OC)C(C)(C)[NH3+])cc1 ZINC001162956665 1312211319 /nfs/dbraw/zinc/21/13/19/1312211319.db2.gz RHOYMOAOQUPIJG-DLBZAZTESA-N 2 1 331.460 2.700 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230347949 1312226535 /nfs/dbraw/zinc/22/65/35/1312226535.db2.gz NXVJKYNVAJGFAF-RTBURBONSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230347949 1312226537 /nfs/dbraw/zinc/22/65/37/1312226537.db2.gz NXVJKYNVAJGFAF-RTBURBONSA-N 2 1 329.488 2.712 20 30 EFEDMP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230537378 1312260083 /nfs/dbraw/zinc/26/00/83/1312260083.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537378 1312260087 /nfs/dbraw/zinc/26/00/87/1312260087.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537378 1312260091 /nfs/dbraw/zinc/26/00/91/1312260091.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571240 1312268048 /nfs/dbraw/zinc/26/80/48/1312268048.db2.gz BXSJYUANUWJGEL-ZWKOTPCHSA-N 2 1 339.499 2.555 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001230580850 1312272144 /nfs/dbraw/zinc/27/21/44/1312272144.db2.gz RMECVIXXYRTDGQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001230580850 1312272148 /nfs/dbraw/zinc/27/21/48/1312272148.db2.gz RMECVIXXYRTDGQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591549 1312275772 /nfs/dbraw/zinc/27/57/72/1312275772.db2.gz BTZURDFYIQPZBS-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592114 1312277003 /nfs/dbraw/zinc/27/70/03/1312277003.db2.gz RQYZOQOXGGJPMQ-SFHVURJKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278390 /nfs/dbraw/zinc/27/83/90/1312278390.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278394 /nfs/dbraw/zinc/27/83/94/1312278394.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278398 /nfs/dbraw/zinc/27/83/98/1312278398.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598614 1312278935 /nfs/dbraw/zinc/27/89/35/1312278935.db2.gz UUMFVCOXEWSEKK-RBUKOAKNSA-N 2 1 335.536 2.996 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230605459 1312280760 /nfs/dbraw/zinc/28/07/60/1312280760.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605459 1312280763 /nfs/dbraw/zinc/28/07/63/1312280763.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605459 1312280765 /nfs/dbraw/zinc/28/07/65/1312280765.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 2 1 347.547 2.691 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611745 1312283021 /nfs/dbraw/zinc/28/30/21/1312283021.db2.gz ZHWVXDOHOJINJG-UXHICEINSA-N 2 1 347.547 2.689 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611356 1312283202 /nfs/dbraw/zinc/28/32/02/1312283202.db2.gz RBLWGLCWWPVGGW-IBGZPJMESA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618735 1312286315 /nfs/dbraw/zinc/28/63/15/1312286315.db2.gz RBWNTOPMQKOLNN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618735 1312286319 /nfs/dbraw/zinc/28/63/19/1312286319.db2.gz RBWNTOPMQKOLNN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618735 1312286321 /nfs/dbraw/zinc/28/63/21/1312286321.db2.gz RBWNTOPMQKOLNN-LJQANCHMSA-N 2 1 335.536 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622652 1312288487 /nfs/dbraw/zinc/28/84/87/1312288487.db2.gz PMDPFOLNVYPSLK-LJQANCHMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230623554 1312288583 /nfs/dbraw/zinc/28/85/83/1312288583.db2.gz ZSSPGTFRTJGJBQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230623554 1312288587 /nfs/dbraw/zinc/28/85/87/1312288587.db2.gz ZSSPGTFRTJGJBQ-IBGZPJMESA-N 2 1 344.503 2.861 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230631193 1312290579 /nfs/dbraw/zinc/29/05/79/1312290579.db2.gz YESUTOYIVDUZDM-HXUWFJFHSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165644 1312533508 /nfs/dbraw/zinc/53/35/08/1312533508.db2.gz WRMGREVFOXRYSY-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165644 1312533510 /nfs/dbraw/zinc/53/35/10/1312533510.db2.gz WRMGREVFOXRYSY-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165644 1312533513 /nfs/dbraw/zinc/53/35/13/1312533513.db2.gz WRMGREVFOXRYSY-ZCNNSNEGSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531467 1312534285 /nfs/dbraw/zinc/53/42/85/1312534285.db2.gz JQJULHPJDOQNSI-ROUUACIJSA-N 2 1 333.520 2.703 20 30 EFEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278992 1312601156 /nfs/dbraw/zinc/60/11/56/1312601156.db2.gz ZJVBAJWLDAZYPD-QGZVFWFLSA-N 2 1 334.508 2.820 20 30 EFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015474 1312606350 /nfs/dbraw/zinc/60/63/50/1312606350.db2.gz XDRGQGWYJXOZRS-IEBWSBKVSA-N 2 1 327.428 2.889 20 30 EFEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472078 1312634878 /nfs/dbraw/zinc/63/48/78/1312634878.db2.gz GIEHSPRNRFPFIV-GOSISDBHSA-N 2 1 335.536 2.807 20 30 EFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485035 1312636360 /nfs/dbraw/zinc/63/63/60/1312636360.db2.gz KGVQUQNTRUTXIH-GOSISDBHSA-N 2 1 333.520 2.846 20 30 EFEDMP Cc1[nH+]c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1CC#N ZINC001165670687 1312660417 /nfs/dbraw/zinc/66/04/17/1312660417.db2.gz SSVGPDWHGYFXEO-KRWDZBQOSA-N 2 1 342.487 2.972 20 30 EFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267472 1314466255 /nfs/dbraw/zinc/46/62/55/1314466255.db2.gz BBTPFXITYQZBMA-RBUKOAKNSA-N 2 1 329.488 2.836 20 30 EFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268037 1314466597 /nfs/dbraw/zinc/46/65/97/1314466597.db2.gz GFHGTCHDYBUALA-OALUTQOASA-N 2 1 329.488 2.836 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001211307277 1314472691 /nfs/dbraw/zinc/47/26/91/1314472691.db2.gz QUICYBCJFSYBNU-UYAOXDASSA-N 2 1 345.531 2.515 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367388 1314485456 /nfs/dbraw/zinc/48/54/56/1314485456.db2.gz SAMHJZRCHXZDOF-QRVBRYPASA-N 2 1 335.536 2.900 20 30 EFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374948 1314487508 /nfs/dbraw/zinc/48/75/08/1314487508.db2.gz UJRAGYQPEFXQNU-GUDVDZBRSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447998 1314502510 /nfs/dbraw/zinc/50/25/10/1314502510.db2.gz SPMXFOYQBKBTPJ-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447998 1314502512 /nfs/dbraw/zinc/50/25/12/1314502512.db2.gz SPMXFOYQBKBTPJ-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447998 1314502516 /nfs/dbraw/zinc/50/25/16/1314502516.db2.gz SPMXFOYQBKBTPJ-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447998 1314502520 /nfs/dbraw/zinc/50/25/20/1314502520.db2.gz SPMXFOYQBKBTPJ-IEBWSBKVSA-N 2 1 329.488 2.521 20 30 EFEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001052989445 1314545683 /nfs/dbraw/zinc/54/56/83/1314545683.db2.gz FWCPBKWALGMGEO-HDICACEKSA-N 2 1 333.520 2.748 20 30 EFEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001052989445 1314545687 /nfs/dbraw/zinc/54/56/87/1314545687.db2.gz FWCPBKWALGMGEO-HDICACEKSA-N 2 1 333.520 2.748 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1COCCC12C[NH2+]C2 ZINC001245987548 1314559807 /nfs/dbraw/zinc/55/98/07/1314559807.db2.gz ZVMJZJQWRITAKV-MSOLQXFVSA-N 2 1 326.525 2.846 20 30 EFEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246000390 1314563351 /nfs/dbraw/zinc/56/33/51/1314563351.db2.gz CYXFTXSDKFFBDT-KURKYZTESA-N 2 1 342.524 2.619 20 30 EFEDMP CCCCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021076 1314567634 /nfs/dbraw/zinc/56/76/34/1314567634.db2.gz LDGHFJAOBYIXEJ-OTWHNJEPSA-N 2 1 328.541 2.910 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246046949 1314572882 /nfs/dbraw/zinc/57/28/82/1314572882.db2.gz UPDAQTPXIQHQEH-RTBURBONSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246046949 1314572885 /nfs/dbraw/zinc/57/28/85/1314572885.db2.gz UPDAQTPXIQHQEH-RTBURBONSA-N 2 1 326.525 2.964 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027850 1314598008 /nfs/dbraw/zinc/59/80/08/1314598008.db2.gz IDGZCDOXMQFSDS-QZTJIDSGSA-N 2 1 333.520 2.607 20 30 EFEDMP C#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)cc1 ZINC001278436765 1314599521 /nfs/dbraw/zinc/59/95/21/1314599521.db2.gz UOKXMBAVKHAQKY-UHFFFAOYSA-N 2 1 347.462 2.867 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029493 1314603253 /nfs/dbraw/zinc/60/32/53/1314603253.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029493 1314603255 /nfs/dbraw/zinc/60/32/55/1314603255.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029493 1314603257 /nfs/dbraw/zinc/60/32/57/1314603257.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029499 1314603324 /nfs/dbraw/zinc/60/33/24/1314603324.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029499 1314603330 /nfs/dbraw/zinc/60/33/30/1314603330.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029499 1314603333 /nfs/dbraw/zinc/60/33/33/1314603333.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030722 1314605083 /nfs/dbraw/zinc/60/50/83/1314605083.db2.gz GUVBCMBANFIBJO-RBUKOAKNSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC001246305403 1314608403 /nfs/dbraw/zinc/60/84/03/1314608403.db2.gz RATKOIDCBKRUHG-LPHOPBHVSA-N 2 1 348.487 2.833 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCc2ccccc2CC1 ZINC001246308386 1314608472 /nfs/dbraw/zinc/60/84/72/1314608472.db2.gz QTXCJSYNGGZQQU-IBGZPJMESA-N 2 1 330.472 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032286 1314608529 /nfs/dbraw/zinc/60/85/29/1314608529.db2.gz NSMAYFWNFQLLLC-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053032286 1314608532 /nfs/dbraw/zinc/60/85/32/1314608532.db2.gz NSMAYFWNFQLLLC-RTBURBONSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001246305414 1314608810 /nfs/dbraw/zinc/60/88/10/1314608810.db2.gz REYONNBLLQHAJO-KRWDZBQOSA-N 2 1 338.492 2.542 20 30 EFEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001246311815 1314609364 /nfs/dbraw/zinc/60/93/64/1314609364.db2.gz MIHFUXMXNPOZLQ-OALUTQOASA-N 2 1 330.472 2.669 20 30 EFEDMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444877 1314630221 /nfs/dbraw/zinc/63/02/21/1314630221.db2.gz ZIOJRCLQVXXERG-MVJPYGJCSA-N 3 1 326.488 2.771 20 30 EFEDMP N#C[C@H]1CC[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246485855 1314635562 /nfs/dbraw/zinc/63/55/62/1314635562.db2.gz ORNWZGZMLJIJDM-RCCFBDPRSA-N 2 1 329.444 2.509 20 30 EFEDMP C[C@H](CCCC#N)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246493414 1314637158 /nfs/dbraw/zinc/63/71/58/1314637158.db2.gz JGEBQRQZYWNBCO-SJLPKXTDSA-N 2 1 331.460 2.899 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)CC1 ZINC001246526571 1314642397 /nfs/dbraw/zinc/64/23/97/1314642397.db2.gz PISFBDWIPVGRAL-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)CC1 ZINC001246526571 1314642399 /nfs/dbraw/zinc/64/23/99/1314642399.db2.gz PISFBDWIPVGRAL-QGZVFWFLSA-N 2 1 335.492 2.629 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055161 1314646178 /nfs/dbraw/zinc/64/61/78/1314646178.db2.gz WEQGJKASOTWZQM-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055161 1314646182 /nfs/dbraw/zinc/64/61/82/1314646182.db2.gz WEQGJKASOTWZQM-MOPGFXCFSA-N 2 1 344.503 2.718 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551997 1314647177 /nfs/dbraw/zinc/64/71/77/1314647177.db2.gz UBUVYUZRMXIQDN-QWFCFKBJSA-N 2 1 349.519 2.874 20 30 EFEDMP N#Cc1ccc(C2CCC([N@H+]3CCNC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246598854 1314654257 /nfs/dbraw/zinc/65/42/57/1314654257.db2.gz BXICARMAPUHTQE-UHFFFAOYSA-N 2 1 338.499 2.612 20 30 EFEDMP CCCCCCCC[C@@H](CC)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819078 1314690064 /nfs/dbraw/zinc/69/00/64/1314690064.db2.gz GHLKVWXFSOBFEN-LJQANCHMSA-N 2 1 326.573 2.600 20 30 EFEDMP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088426 1314695633 /nfs/dbraw/zinc/69/56/33/1314695633.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088426 1314695637 /nfs/dbraw/zinc/69/56/37/1314695637.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088426 1314695640 /nfs/dbraw/zinc/69/56/40/1314695640.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093373 1314704181 /nfs/dbraw/zinc/70/41/81/1314704181.db2.gz XXCYGIVHPAYOPN-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053093373 1314704185 /nfs/dbraw/zinc/70/41/85/1314704185.db2.gz XXCYGIVHPAYOPN-MOPGFXCFSA-N 2 1 344.503 2.861 20 30 EFEDMP CCCCCCCC[C@@H](CC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923723 1314709041 /nfs/dbraw/zinc/70/90/41/1314709041.db2.gz FOVAOAPHPQVKGH-GOSISDBHSA-N 3 1 342.572 2.631 20 30 EFEDMP CCCCCCCC[C@@H](CC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923723 1314709045 /nfs/dbraw/zinc/70/90/45/1314709045.db2.gz FOVAOAPHPQVKGH-GOSISDBHSA-N 2 1 342.572 2.631 20 30 EFEDMP N#C[C@@H]1C[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945683 1314712305 /nfs/dbraw/zinc/71/23/05/1314712305.db2.gz HXNCUGJCHVDIBX-WMZOPIPTSA-N 2 1 332.879 2.538 20 30 EFEDMP N#C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945683 1314712308 /nfs/dbraw/zinc/71/23/08/1314712308.db2.gz HXNCUGJCHVDIBX-WMZOPIPTSA-N 2 1 332.879 2.538 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100693 1314717102 /nfs/dbraw/zinc/71/71/02/1314717102.db2.gz ITKLOGFBWYUDSU-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246999669 1314728620 /nfs/dbraw/zinc/72/86/20/1314728620.db2.gz GDJVGNPUPILLNI-MUYFXNHWSA-N 2 1 335.492 2.675 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006146 1314729920 /nfs/dbraw/zinc/72/99/20/1314729920.db2.gz TXNLXTHIIAYXRB-SJORKVTESA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001247006146 1314729923 /nfs/dbraw/zinc/72/99/23/1314729923.db2.gz TXNLXTHIIAYXRB-SJORKVTESA-N 2 1 335.492 2.818 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855669 1314748755 /nfs/dbraw/zinc/74/87/55/1314748755.db2.gz KLSFMUWFPRUDGI-KZNAEPCWSA-N 2 1 344.503 2.943 20 30 EFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397149 1314829715 /nfs/dbraw/zinc/82/97/15/1314829715.db2.gz WGAMVQVOVDOHCT-YDZRNGNQSA-N 2 1 335.536 2.900 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215973139 1314896387 /nfs/dbraw/zinc/89/63/87/1314896387.db2.gz SUIGALXUXAUHJN-GDBMZVCRSA-N 2 1 329.916 2.688 20 30 EFEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001248750259 1314957437 /nfs/dbraw/zinc/95/74/37/1314957437.db2.gz CPJGWWRJLYHFJU-UHFFFAOYSA-N 2 1 326.444 2.751 20 30 EFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850264 1315015256 /nfs/dbraw/zinc/01/52/56/1315015256.db2.gz HDHLPTYJCVYASK-BHIYHBOVSA-N 2 1 329.488 2.692 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038624006 1315049037 /nfs/dbraw/zinc/04/90/37/1315049037.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624006 1315049043 /nfs/dbraw/zinc/04/90/43/1315049043.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624006 1315049047 /nfs/dbraw/zinc/04/90/47/1315049047.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001219047436 1315276532 /nfs/dbraw/zinc/27/65/32/1315276532.db2.gz YAQKGLHFQDBBIF-UTKZUKDTSA-N 2 1 333.435 2.553 20 30 EFEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001219047436 1315276534 /nfs/dbraw/zinc/27/65/34/1315276534.db2.gz YAQKGLHFQDBBIF-UTKZUKDTSA-N 2 1 333.435 2.553 20 30 EFEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054133198 1315343079 /nfs/dbraw/zinc/34/30/79/1315343079.db2.gz XZIYOPOTGWGDEM-OAQYLSRUSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133953 1315344379 /nfs/dbraw/zinc/34/43/79/1315344379.db2.gz QOWIYUOHUDOMCT-FPOVZHCZSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054134018 1315345425 /nfs/dbraw/zinc/34/54/25/1315345425.db2.gz SAPDKTFJPXCYNE-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054134018 1315345430 /nfs/dbraw/zinc/34/54/30/1315345430.db2.gz SAPDKTFJPXCYNE-XLIONFOSSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054140786 1315355601 /nfs/dbraw/zinc/35/56/01/1315355601.db2.gz ZGTRATFEVSKQJH-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054140786 1315355607 /nfs/dbraw/zinc/35/56/07/1315355607.db2.gz ZGTRATFEVSKQJH-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054140786 1315355611 /nfs/dbraw/zinc/35/56/11/1315355611.db2.gz ZGTRATFEVSKQJH-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142457 1315359701 /nfs/dbraw/zinc/35/97/01/1315359701.db2.gz CGKSBAUABKMOGS-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142457 1315359704 /nfs/dbraw/zinc/35/97/04/1315359704.db2.gz CGKSBAUABKMOGS-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142457 1315359707 /nfs/dbraw/zinc/35/97/07/1315359707.db2.gz CGKSBAUABKMOGS-CTNGQTDRSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145576 1315365294 /nfs/dbraw/zinc/36/52/94/1315365294.db2.gz SESYWVYHMUFREJ-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145576 1315365298 /nfs/dbraw/zinc/36/52/98/1315365298.db2.gz SESYWVYHMUFREJ-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145576 1315365302 /nfs/dbraw/zinc/36/53/02/1315365302.db2.gz SESYWVYHMUFREJ-TZIWHRDSSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145894 1315366090 /nfs/dbraw/zinc/36/60/90/1315366090.db2.gz ZIZVLLYEORJFKO-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145894 1315366093 /nfs/dbraw/zinc/36/60/93/1315366093.db2.gz ZIZVLLYEORJFKO-FXAWDEMLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147143 1315368363 /nfs/dbraw/zinc/36/83/63/1315368363.db2.gz LGNNDSLBIDPVRO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147143 1315368365 /nfs/dbraw/zinc/36/83/65/1315368365.db2.gz LGNNDSLBIDPVRO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147143 1315368368 /nfs/dbraw/zinc/36/83/68/1315368368.db2.gz LGNNDSLBIDPVRO-ICSRJNTNSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183118 1315424144 /nfs/dbraw/zinc/42/41/44/1315424144.db2.gz YJKMOBUXOXQSIA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183118 1315424147 /nfs/dbraw/zinc/42/41/47/1315424147.db2.gz YJKMOBUXOXQSIA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183118 1315424148 /nfs/dbraw/zinc/42/41/48/1315424148.db2.gz YJKMOBUXOXQSIA-UYAOXDASSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184594 1315425866 /nfs/dbraw/zinc/42/58/66/1315425866.db2.gz HZGFLVOXCKNNHL-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184594 1315425869 /nfs/dbraw/zinc/42/58/69/1315425869.db2.gz HZGFLVOXCKNNHL-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184594 1315425872 /nfs/dbraw/zinc/42/58/72/1315425872.db2.gz HZGFLVOXCKNNHL-CMKODMSKSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197535 1315441323 /nfs/dbraw/zinc/44/13/23/1315441323.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197535 1315441325 /nfs/dbraw/zinc/44/13/25/1315441325.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197535 1315441327 /nfs/dbraw/zinc/44/13/27/1315441327.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197793 1315442180 /nfs/dbraw/zinc/44/21/80/1315442180.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197793 1315442182 /nfs/dbraw/zinc/44/21/82/1315442182.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197793 1315442183 /nfs/dbraw/zinc/44/21/83/1315442183.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198012 1315442273 /nfs/dbraw/zinc/44/22/73/1315442273.db2.gz NIYRXRPYROZKPO-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198012 1315442276 /nfs/dbraw/zinc/44/22/76/1315442276.db2.gz NIYRXRPYROZKPO-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198012 1315442279 /nfs/dbraw/zinc/44/22/79/1315442279.db2.gz NIYRXRPYROZKPO-WMZOPIPTSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205252 1315453926 /nfs/dbraw/zinc/45/39/26/1315453926.db2.gz NVXZVRZAFOFRJN-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205252 1315453928 /nfs/dbraw/zinc/45/39/28/1315453928.db2.gz NVXZVRZAFOFRJN-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209011 1315458962 /nfs/dbraw/zinc/45/89/62/1315458962.db2.gz GHTCOSFIGUZQAQ-OAQYLSRUSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209270 1315460236 /nfs/dbraw/zinc/46/02/36/1315460236.db2.gz MWHIOGYVQHSTBJ-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599024 1315474657 /nfs/dbraw/zinc/47/46/57/1315474657.db2.gz WCPPELXBVVLRMH-MJUUVYJYSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599024 1315474660 /nfs/dbraw/zinc/47/46/60/1315474660.db2.gz WCPPELXBVVLRMH-MJUUVYJYSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599024 1315474663 /nfs/dbraw/zinc/47/46/63/1315474663.db2.gz WCPPELXBVVLRMH-MJUUVYJYSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001252599024 1315474667 /nfs/dbraw/zinc/47/46/67/1315474667.db2.gz WCPPELXBVVLRMH-MJUUVYJYSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599027 1315474718 /nfs/dbraw/zinc/47/47/18/1315474718.db2.gz WCPPELXBVVLRMH-ZIBCJSCZSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599027 1315474721 /nfs/dbraw/zinc/47/47/21/1315474721.db2.gz WCPPELXBVVLRMH-ZIBCJSCZSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599027 1315474725 /nfs/dbraw/zinc/47/47/25/1315474725.db2.gz WCPPELXBVVLRMH-ZIBCJSCZSA-N 2 1 343.515 2.941 20 30 EFEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001252599027 1315474730 /nfs/dbraw/zinc/47/47/30/1315474730.db2.gz WCPPELXBVVLRMH-ZIBCJSCZSA-N 2 1 343.515 2.941 20 30 EFEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226796 1315484670 /nfs/dbraw/zinc/48/46/70/1315484670.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226796 1315484672 /nfs/dbraw/zinc/48/46/72/1315484672.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226796 1315484675 /nfs/dbraw/zinc/48/46/75/1315484675.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245478 1315516402 /nfs/dbraw/zinc/51/64/02/1315516402.db2.gz TURIUNOXCWDUIW-TZIWHRDSSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245475 1315516514 /nfs/dbraw/zinc/51/65/14/1315516514.db2.gz TURIUNOXCWDUIW-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134473 1315517811 /nfs/dbraw/zinc/51/78/11/1315517811.db2.gz PRLCLWZJDFQSQG-LJQANCHMSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039136604 1315522482 /nfs/dbraw/zinc/52/24/82/1315522482.db2.gz BEBGUCYNQDGSLT-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136604 1315522486 /nfs/dbraw/zinc/52/24/86/1315522486.db2.gz BEBGUCYNQDGSLT-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039136604 1315522489 /nfs/dbraw/zinc/52/24/89/1315522489.db2.gz BEBGUCYNQDGSLT-MOPGFXCFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140234 1315528253 /nfs/dbraw/zinc/52/82/53/1315528253.db2.gz RBAHEEMVYUPUAC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140234 1315528256 /nfs/dbraw/zinc/52/82/56/1315528256.db2.gz RBAHEEMVYUPUAC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140234 1315528258 /nfs/dbraw/zinc/52/82/58/1315528258.db2.gz RBAHEEMVYUPUAC-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142813 1315533958 /nfs/dbraw/zinc/53/39/58/1315533958.db2.gz NODBEUJVXUYAOF-LJQANCHMSA-N 2 1 345.531 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145124 1315538398 /nfs/dbraw/zinc/53/83/98/1315538398.db2.gz UMMLGESZICOHEN-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145124 1315538405 /nfs/dbraw/zinc/53/84/05/1315538405.db2.gz UMMLGESZICOHEN-IBGZPJMESA-N 2 1 344.503 2.718 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039154821 1315551216 /nfs/dbraw/zinc/55/12/16/1315551216.db2.gz HHMKJYQTUMOHFO-QGZVFWFLSA-N 2 1 345.487 2.701 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159542 1315555709 /nfs/dbraw/zinc/55/57/09/1315555709.db2.gz QSYCFFZARWPCJR-IRXDYDNUSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163886 1315562832 /nfs/dbraw/zinc/56/28/32/1315562832.db2.gz BTQDKIPOEWELBE-HXUWFJFHSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001221616329 1315563310 /nfs/dbraw/zinc/56/33/10/1315563310.db2.gz JYCUZXACTCAGEM-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001221616329 1315563312 /nfs/dbraw/zinc/56/33/12/1315563312.db2.gz JYCUZXACTCAGEM-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001221616329 1315563314 /nfs/dbraw/zinc/56/33/14/1315563314.db2.gz JYCUZXACTCAGEM-MISYRCLQSA-N 2 1 345.531 2.892 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563731 /nfs/dbraw/zinc/56/37/31/1315563731.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563734 /nfs/dbraw/zinc/56/37/34/1315563734.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563738 /nfs/dbraw/zinc/56/37/38/1315563738.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565715 /nfs/dbraw/zinc/56/57/15/1315565715.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565718 /nfs/dbraw/zinc/56/57/18/1315565718.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565720 /nfs/dbraw/zinc/56/57/20/1315565720.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168323 1315570585 /nfs/dbraw/zinc/57/05/85/1315570585.db2.gz TZRBSQZHTNLRJF-HXUWFJFHSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173504 1315578108 /nfs/dbraw/zinc/57/81/08/1315578108.db2.gz XZQAGAVNIPWCAW-IBGZPJMESA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001039173591 1315578215 /nfs/dbraw/zinc/57/82/15/1315578215.db2.gz ABRGVKZTESDSFD-QGZVFWFLSA-N 2 1 342.487 2.508 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173943 1315579152 /nfs/dbraw/zinc/57/91/52/1315579152.db2.gz IWIXQGCYPJDKRM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173943 1315579155 /nfs/dbraw/zinc/57/91/55/1315579155.db2.gz IWIXQGCYPJDKRM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173943 1315579158 /nfs/dbraw/zinc/57/91/58/1315579158.db2.gz IWIXQGCYPJDKRM-UYAOXDASSA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001253239840 1315583363 /nfs/dbraw/zinc/58/33/63/1315583363.db2.gz UBYUUXUTIWXXEM-LJQANCHMSA-N 2 1 326.525 2.917 20 30 EFEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001253239840 1315583364 /nfs/dbraw/zinc/58/33/64/1315583364.db2.gz UBYUUXUTIWXXEM-LJQANCHMSA-N 2 1 326.525 2.917 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179613 1315586456 /nfs/dbraw/zinc/58/64/56/1315586456.db2.gz BXDQUBFWEITQQX-MOPGFXCFSA-N 2 1 335.536 2.709 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182671 1315590664 /nfs/dbraw/zinc/59/06/64/1315590664.db2.gz QPTWPXACSCKHGA-LJQANCHMSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039183133 1315591816 /nfs/dbraw/zinc/59/18/16/1315591816.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183133 1315591819 /nfs/dbraw/zinc/59/18/19/1315591819.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039183133 1315591821 /nfs/dbraw/zinc/59/18/21/1315591821.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204694 1315617247 /nfs/dbraw/zinc/61/72/47/1315617247.db2.gz AAJZIUOIENYCGV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204694 1315617250 /nfs/dbraw/zinc/61/72/50/1315617250.db2.gz AAJZIUOIENYCGV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204694 1315617253 /nfs/dbraw/zinc/61/72/53/1315617253.db2.gz AAJZIUOIENYCGV-VQTJNVASSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226566 1315647976 /nfs/dbraw/zinc/64/79/76/1315647976.db2.gz WHNJKOSDXCKQPJ-RTBURBONSA-N 2 1 344.503 2.942 20 30 EFEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228597 1315650948 /nfs/dbraw/zinc/65/09/48/1315650948.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228597 1315650952 /nfs/dbraw/zinc/65/09/52/1315650952.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228597 1315650955 /nfs/dbraw/zinc/65/09/55/1315650955.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233681 1315657765 /nfs/dbraw/zinc/65/77/65/1315657765.db2.gz DIBUPIMCERLTDX-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233681 1315657766 /nfs/dbraw/zinc/65/77/66/1315657766.db2.gz DIBUPIMCERLTDX-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233681 1315657768 /nfs/dbraw/zinc/65/77/68/1315657768.db2.gz DIBUPIMCERLTDX-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239929 1315666810 /nfs/dbraw/zinc/66/68/10/1315666810.db2.gz SKJFMQDKACPBSS-PMACEKPBSA-N 2 1 347.547 2.997 20 30 EFEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040409 1315668791 /nfs/dbraw/zinc/66/87/91/1315668791.db2.gz SNUQYDBPBYYXPP-OWZKRDHZSA-N 2 1 339.483 2.780 20 30 EFEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250166 1315681749 /nfs/dbraw/zinc/68/17/49/1315681749.db2.gz JGPOILWHRMDXFW-MOPGFXCFSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251153 1315682160 /nfs/dbraw/zinc/68/21/60/1315682160.db2.gz SZHTZLAQTLQDNN-SJLPKXTDSA-N 2 1 330.476 2.540 20 30 EFEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039283465 1315701150 /nfs/dbraw/zinc/70/11/50/1315701150.db2.gz WJDMUJVRIJBTGP-CSNJMZFVSA-N 2 1 342.487 2.532 20 30 EFEDMP C=CCOCc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1C[NH2+]C2 ZINC001255111494 1315777007 /nfs/dbraw/zinc/77/70/07/1315777007.db2.gz FDJDYDNDMQJEEV-QGZVFWFLSA-N 2 1 338.455 2.636 20 30 EFEDMP CC[C@H](CC#N)[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001255170454 1315786799 /nfs/dbraw/zinc/78/67/99/1315786799.db2.gz RZQQLKZXLBXHSS-LJQANCHMSA-N 2 1 342.487 2.688 20 30 EFEDMP CC[C@H](CC#N)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255170454 1315786801 /nfs/dbraw/zinc/78/68/01/1315786801.db2.gz RZQQLKZXLBXHSS-LJQANCHMSA-N 2 1 342.487 2.688 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444548 1315795135 /nfs/dbraw/zinc/79/51/35/1315795135.db2.gz JTVIOGIERWGZST-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444548 1315795138 /nfs/dbraw/zinc/79/51/38/1315795138.db2.gz JTVIOGIERWGZST-SJORKVTESA-N 2 1 330.476 2.648 20 30 EFEDMP CN1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478360 1315828497 /nfs/dbraw/zinc/82/84/97/1315828497.db2.gz UORKMJOKGQAHDL-UFYCRDLUSA-N 2 1 326.488 2.724 20 30 EFEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cccc2C1 ZINC001051306680 1315847117 /nfs/dbraw/zinc/84/71/17/1315847117.db2.gz LOLGVMDIHSVGQC-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306680 1315847120 /nfs/dbraw/zinc/84/71/20/1315847120.db2.gz LOLGVMDIHSVGQC-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306680 1315847123 /nfs/dbraw/zinc/84/71/23/1315847123.db2.gz LOLGVMDIHSVGQC-FQEVSTJZSA-N 2 1 341.499 2.721 20 30 EFEDMP N#Cc1ccccc1CN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072616 1315899693 /nfs/dbraw/zinc/89/96/93/1315899693.db2.gz RTZWNYMTPYTRKT-UHFFFAOYSA-N 2 1 338.499 2.739 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077699 1315901266 /nfs/dbraw/zinc/90/12/66/1315901266.db2.gz HLWBUURPMOZFLY-FQEVSTJZSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077699 1315901267 /nfs/dbraw/zinc/90/12/67/1315901267.db2.gz HLWBUURPMOZFLY-FQEVSTJZSA-N 2 1 331.504 2.646 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078223 1315901307 /nfs/dbraw/zinc/90/13/07/1315901307.db2.gz XKFUCHAABFBNQA-UXHICEINSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078223 1315901309 /nfs/dbraw/zinc/90/13/09/1315901309.db2.gz XKFUCHAABFBNQA-UXHICEINSA-N 2 1 334.504 2.687 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001256201495 1315916363 /nfs/dbraw/zinc/91/63/63/1315916363.db2.gz FLYQVLODPFZBOX-UHFFFAOYSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001256201495 1315916365 /nfs/dbraw/zinc/91/63/65/1315916365.db2.gz FLYQVLODPFZBOX-UHFFFAOYSA-N 2 1 335.492 2.581 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052427481 1315945764 /nfs/dbraw/zinc/94/57/64/1315945764.db2.gz ZMHTXRWMKPKHHN-MRXNPFEDSA-N 2 1 335.517 2.970 20 30 EFEDMP N#Cc1ccccc1OC1C[NH+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865398 1316001843 /nfs/dbraw/zinc/00/18/43/1316001843.db2.gz CSOKIGXYNBUTBL-UHFFFAOYSA-N 2 1 334.423 2.685 20 30 EFEDMP COC(=O)CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362716 1316143173 /nfs/dbraw/zinc/14/31/73/1316143173.db2.gz ZORNVMMHWQZFEG-SNRMKQJTSA-N 2 1 343.471 2.972 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040211720 1316145951 /nfs/dbraw/zinc/14/59/51/1316145951.db2.gz YQXUTKJMUWFPBK-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211720 1316145954 /nfs/dbraw/zinc/14/59/54/1316145954.db2.gz YQXUTKJMUWFPBK-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211720 1316145955 /nfs/dbraw/zinc/14/59/55/1316145955.db2.gz YQXUTKJMUWFPBK-NSHGMRRFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240837 1316160727 /nfs/dbraw/zinc/16/07/27/1316160727.db2.gz JTCQODDCOAVITF-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240837 1316160729 /nfs/dbraw/zinc/16/07/29/1316160729.db2.gz JTCQODDCOAVITF-YLJYHZDGSA-N 2 1 342.487 2.651 20 30 EFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771711 1316176823 /nfs/dbraw/zinc/17/68/23/1316176823.db2.gz QGGMXAIBDYWTLF-HXUWFJFHSA-N 2 1 349.519 2.971 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281869 1316182385 /nfs/dbraw/zinc/18/23/85/1316182385.db2.gz SCKWABUELULKKW-LJQANCHMSA-N 2 1 331.504 2.505 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312259 1316196708 /nfs/dbraw/zinc/19/67/08/1316196708.db2.gz AQZXAKNIMGDERT-PZJWPPBQSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347429 1316214098 /nfs/dbraw/zinc/21/40/98/1316214098.db2.gz KXDLHXUGKJLJSD-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347429 1316214102 /nfs/dbraw/zinc/21/41/02/1316214102.db2.gz KXDLHXUGKJLJSD-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347429 1316214105 /nfs/dbraw/zinc/21/41/05/1316214105.db2.gz KXDLHXUGKJLJSD-TZIWHRDSSA-N 2 1 347.547 2.999 20 30 EFEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355350 1316219065 /nfs/dbraw/zinc/21/90/65/1316219065.db2.gz AVVBPOPTRLTUES-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355350 1316219068 /nfs/dbraw/zinc/21/90/68/1316219068.db2.gz AVVBPOPTRLTUES-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355350 1316219069 /nfs/dbraw/zinc/21/90/69/1316219069.db2.gz AVVBPOPTRLTUES-BJLQDIEVSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040356835 1316219405 /nfs/dbraw/zinc/21/94/05/1316219405.db2.gz LIAXURBLEFJWTE-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040356835 1316219406 /nfs/dbraw/zinc/21/94/06/1316219406.db2.gz LIAXURBLEFJWTE-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040356835 1316219408 /nfs/dbraw/zinc/21/94/08/1316219408.db2.gz LIAXURBLEFJWTE-ZJOUEHCJSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369565 1316224898 /nfs/dbraw/zinc/22/48/98/1316224898.db2.gz RBJPJJGNVCBSSR-HXUWFJFHSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241815 /nfs/dbraw/zinc/24/18/15/1316241815.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241818 /nfs/dbraw/zinc/24/18/18/1316241818.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241822 /nfs/dbraw/zinc/24/18/22/1316241822.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432162 1316262142 /nfs/dbraw/zinc/26/21/42/1316262142.db2.gz MDLJZCHEWIYEIH-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432162 1316262145 /nfs/dbraw/zinc/26/21/45/1316262145.db2.gz MDLJZCHEWIYEIH-HXUWFJFHSA-N 2 1 344.503 2.897 20 30 EFEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433567 1316263558 /nfs/dbraw/zinc/26/35/58/1316263558.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433567 1316263561 /nfs/dbraw/zinc/26/35/61/1316263561.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433567 1316263564 /nfs/dbraw/zinc/26/35/64/1316263564.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487719 1316289429 /nfs/dbraw/zinc/28/94/29/1316289429.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487719 1316289433 /nfs/dbraw/zinc/28/94/33/1316289433.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040487719 1316289437 /nfs/dbraw/zinc/28/94/37/1316289437.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542691 1316315620 /nfs/dbraw/zinc/31/56/20/1316315620.db2.gz COAHWQIAEUYDFP-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545377 1316316672 /nfs/dbraw/zinc/31/66/72/1316316672.db2.gz ONKSLGXIBSADDE-PZJWPPBQSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545958 1316317355 /nfs/dbraw/zinc/31/73/55/1316317355.db2.gz ZMSZRIRGRFYPDM-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040722234 1316360130 /nfs/dbraw/zinc/36/01/30/1316360130.db2.gz RKRLLYOBBFBHJE-LJQANCHMSA-N 2 1 347.547 2.855 20 30 EFEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726563 1316360986 /nfs/dbraw/zinc/36/09/86/1316360986.db2.gz KZCQHNCDZMSLOB-IBGZPJMESA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727098 1316361671 /nfs/dbraw/zinc/36/16/71/1316361671.db2.gz OFYXQBMVVXYIDD-QGZVFWFLSA-N 2 1 342.487 2.651 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040816563 1316381209 /nfs/dbraw/zinc/38/12/09/1316381209.db2.gz AZVYMFCXRDMWQL-IBGZPJMESA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847476 1316388207 /nfs/dbraw/zinc/38/82/07/1316388207.db2.gz QDHFPIXCAHAYLG-UHFFFAOYSA-N 2 1 333.520 2.609 20 30 EFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948571 1316409328 /nfs/dbraw/zinc/40/93/28/1316409328.db2.gz UPYBNDINCXCYMH-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478221 1316461841 /nfs/dbraw/zinc/46/18/41/1316461841.db2.gz DIIUFNYRFUTQRH-UHFFFAOYSA-N 2 1 345.487 2.845 20 30 EFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300946 1316506822 /nfs/dbraw/zinc/50/68/22/1316506822.db2.gz KPYXSROTGAMEJK-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300946 1316506826 /nfs/dbraw/zinc/50/68/26/1316506826.db2.gz KPYXSROTGAMEJK-YLJYHZDGSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300985 1316507074 /nfs/dbraw/zinc/50/70/74/1316507074.db2.gz KYOUMORXCJWLDM-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300985 1316507077 /nfs/dbraw/zinc/50/70/77/1316507077.db2.gz KYOUMORXCJWLDM-PXNSSMCTSA-N 2 1 344.503 2.897 20 30 EFEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301522 1316507114 /nfs/dbraw/zinc/50/71/14/1316507114.db2.gz NGRRYQZMAACWJA-APWZRJJASA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301522 1316507115 /nfs/dbraw/zinc/50/71/15/1316507115.db2.gz NGRRYQZMAACWJA-APWZRJJASA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041325491 1316515031 /nfs/dbraw/zinc/51/50/31/1316515031.db2.gz AYAVKTWPIREOEJ-IBGZPJMESA-N 2 1 347.528 2.924 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339570 1316519901 /nfs/dbraw/zinc/51/99/01/1316519901.db2.gz PTEWJHLHTRZCME-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339570 1316519904 /nfs/dbraw/zinc/51/99/04/1316519904.db2.gz PTEWJHLHTRZCME-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339570 1316519906 /nfs/dbraw/zinc/51/99/06/1316519906.db2.gz PTEWJHLHTRZCME-AZUAARDMSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357966 1316526713 /nfs/dbraw/zinc/52/67/13/1316526713.db2.gz JRBPJFZBRLYAMR-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357966 1316526718 /nfs/dbraw/zinc/52/67/18/1316526718.db2.gz JRBPJFZBRLYAMR-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357966 1316526720 /nfs/dbraw/zinc/52/67/20/1316526720.db2.gz JRBPJFZBRLYAMR-PZJWPPBQSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357964 1316526727 /nfs/dbraw/zinc/52/67/27/1316526727.db2.gz JRBPJFZBRLYAMR-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357964 1316526730 /nfs/dbraw/zinc/52/67/30/1316526730.db2.gz JRBPJFZBRLYAMR-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357964 1316526734 /nfs/dbraw/zinc/52/67/34/1316526734.db2.gz JRBPJFZBRLYAMR-CTNGQTDRSA-N 2 1 345.531 2.894 20 30 EFEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371086 1316530645 /nfs/dbraw/zinc/53/06/45/1316530645.db2.gz KCGGVEVCDAUKLL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371086 1316530648 /nfs/dbraw/zinc/53/06/48/1316530648.db2.gz KCGGVEVCDAUKLL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371086 1316530651 /nfs/dbraw/zinc/53/06/51/1316530651.db2.gz KCGGVEVCDAUKLL-QUCCMNQESA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421866 1316547712 /nfs/dbraw/zinc/54/77/12/1316547712.db2.gz KPXRUWUGMCYCKV-FQEVSTJZSA-N 2 1 338.455 2.757 20 30 EFEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041425044 1316549225 /nfs/dbraw/zinc/54/92/25/1316549225.db2.gz RATLDEXMJYXPGD-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041425044 1316549227 /nfs/dbraw/zinc/54/92/27/1316549227.db2.gz RATLDEXMJYXPGD-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041425044 1316549228 /nfs/dbraw/zinc/54/92/28/1316549228.db2.gz RATLDEXMJYXPGD-NRFANRHFSA-N 2 1 345.531 2.587 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506290 1316570271 /nfs/dbraw/zinc/57/02/71/1316570271.db2.gz QKGQIEDKUOYZRT-FPOVZHCZSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716089 1316660658 /nfs/dbraw/zinc/66/06/58/1316660658.db2.gz NQIJJMUVUOGLBG-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716089 1316660661 /nfs/dbraw/zinc/66/06/61/1316660661.db2.gz NQIJJMUVUOGLBG-IBGZPJMESA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724070 1316666111 /nfs/dbraw/zinc/66/61/11/1316666111.db2.gz NMMVJIRSEILMKC-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724070 1316666114 /nfs/dbraw/zinc/66/61/14/1316666114.db2.gz NMMVJIRSEILMKC-LJQANCHMSA-N 2 1 330.476 2.507 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725485 1316667702 /nfs/dbraw/zinc/66/77/02/1316667702.db2.gz NKOGZHRWDWFGHJ-FQEVSTJZSA-N 2 1 333.520 2.609 20 30 EFEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782184 1316696628 /nfs/dbraw/zinc/69/66/28/1316696628.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782184 1316696631 /nfs/dbraw/zinc/69/66/31/1316696631.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782184 1316696634 /nfs/dbraw/zinc/69/66/34/1316696634.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 2 1 345.531 2.589 20 30 EFEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844648 1316730640 /nfs/dbraw/zinc/73/06/40/1316730640.db2.gz BUVRFOVDQZTVKW-ICSRJNTNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844650 1316730718 /nfs/dbraw/zinc/73/07/18/1316730718.db2.gz BUVRFOVDQZTVKW-UYAOXDASSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846062 1316732171 /nfs/dbraw/zinc/73/21/71/1316732171.db2.gz WJVOEVGTXBPNKN-QUCCMNQESA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845940 1316732219 /nfs/dbraw/zinc/73/22/19/1316732219.db2.gz SRECMZYJRPSNLK-CTNGQTDRSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846072 1316732381 /nfs/dbraw/zinc/73/23/81/1316732381.db2.gz WLBSFPIHPIZJPK-FPOVZHCZSA-N 2 1 347.547 2.997 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062887 1316852690 /nfs/dbraw/zinc/85/26/90/1316852690.db2.gz PCJJOGMYQNGHTN-MSOLQXFVSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121053 1316893388 /nfs/dbraw/zinc/89/33/88/1316893388.db2.gz DFSBGTUGQYWZIU-VQIMIIECSA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121255 1316893635 /nfs/dbraw/zinc/89/36/35/1316893635.db2.gz GAEPSTKJTJTUAN-APWZRJJASA-N 2 1 338.455 2.755 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252177 1317032954 /nfs/dbraw/zinc/03/29/54/1317032954.db2.gz IJBSNQQIJKOFSK-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252177 1317032958 /nfs/dbraw/zinc/03/29/58/1317032958.db2.gz IJBSNQQIJKOFSK-ZWKOTPCHSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042259799 1317047372 /nfs/dbraw/zinc/04/73/72/1317047372.db2.gz SBHFWYGIFVYFDK-RBUKOAKNSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042259798 1317048078 /nfs/dbraw/zinc/04/80/78/1317048078.db2.gz SBHFWYGIFVYFDK-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268679 1317067447 /nfs/dbraw/zinc/06/74/47/1317067447.db2.gz FJZYZSGZAIBICJ-ICSRJNTNSA-N 2 1 341.499 2.861 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270566 1317067640 /nfs/dbraw/zinc/06/76/40/1317067640.db2.gz PZJRTFJRERBFJR-UYAOXDASSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296883 1317108317 /nfs/dbraw/zinc/10/83/17/1317108317.db2.gz IDIAHWQXTHDOGB-PKOBYXMFSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296978 1317108698 /nfs/dbraw/zinc/10/86/98/1317108698.db2.gz KDOQLPVWHOWPAV-MJGOQNOKSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308377 1317128717 /nfs/dbraw/zinc/12/87/17/1317128717.db2.gz UWIBGHLQKHNCQE-ICSRJNTNSA-N 2 1 345.531 2.607 20 30 EFEDMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(C#N)cc2)CC3)n(C)n1 ZINC001279146051 1317198539 /nfs/dbraw/zinc/19/85/39/1317198539.db2.gz ZAHWPQAGRSYFHH-UHFFFAOYSA-N 2 1 349.482 2.698 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368145 1317223695 /nfs/dbraw/zinc/22/36/95/1317223695.db2.gz ONRRUFFYFTYXON-OALUTQOASA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368126 1317223749 /nfs/dbraw/zinc/22/37/49/1317223749.db2.gz ODHCINKOBPYDJU-XLIONFOSSA-N 2 1 341.499 2.861 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042372929 1317230297 /nfs/dbraw/zinc/23/02/97/1317230297.db2.gz BJASZWCPFRXSQR-AEFFLSMTSA-N 2 1 345.487 2.844 20 30 EFEDMP N#CCc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279376352 1317250399 /nfs/dbraw/zinc/25/03/99/1317250399.db2.gz VNNZIVQXNHDOEY-UHFFFAOYSA-N 2 1 349.482 2.964 20 30 EFEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325086210 1329670033 /nfs/dbraw/zinc/67/00/33/1329670033.db2.gz QMBHKTJVJSUUBP-XLIONFOSSA-N 2 1 347.478 2.648 20 30 EFEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325086212 1329670037 /nfs/dbraw/zinc/67/00/37/1329670037.db2.gz QMBHKTJVJSUUBP-YLJYHZDGSA-N 2 1 347.478 2.648 20 30 EFEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001326713706 1330352293 /nfs/dbraw/zinc/35/22/93/1330352293.db2.gz KRBUHONOPFXKCO-IAGOWNOFSA-N 2 1 332.492 2.943 20 30 EFEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089915 1332137856 /nfs/dbraw/zinc/13/78/56/1332137856.db2.gz HFKVJLQLDAMCBM-RBUKOAKNSA-N 2 1 329.488 2.651 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341616446 1332271451 /nfs/dbraw/zinc/27/14/51/1332271451.db2.gz YTTUIMMSEKGXRG-NEWSRXKRSA-N 2 1 329.488 2.697 20 30 EFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000847516624 1333827514 /nfs/dbraw/zinc/82/75/14/1333827514.db2.gz XWIUWGRPSXWKAX-SFHVURJKSA-N 2 1 347.890 2.547 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002002541 1333899005 /nfs/dbraw/zinc/89/90/05/1333899005.db2.gz DZTFNYBJQJDITD-UHFFFAOYSA-N 2 1 341.927 2.688 20 30 EFEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848532804 1334780053 /nfs/dbraw/zinc/78/00/53/1334780053.db2.gz BAIUXLDWSDTTTO-OALUTQOASA-N 2 1 343.471 2.710 20 30 EFEDMP C[NH+]=C(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)NC1CC1 ZINC000849022061 1335043681 /nfs/dbraw/zinc/04/36/81/1335043681.db2.gz WAQCTGOPVLGUGW-SFHVURJKSA-N 2 1 330.476 2.550 20 30 EFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001356545544 1335051175 /nfs/dbraw/zinc/05/11/75/1335051175.db2.gz XWTODVREXGWMOD-MRXNPFEDSA-N 2 1 328.460 2.741 20 30 EFEDMP C[NH+]=C(NCc1ccco1)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849076058 1335070027 /nfs/dbraw/zinc/07/00/27/1335070027.db2.gz UKPYAKYIDQHMJH-HXUWFJFHSA-N 2 1 340.471 2.857 20 30 EFEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001357351044 1335304057 /nfs/dbraw/zinc/30/40/57/1335304057.db2.gz MVFPZMNGILMVCG-IBGZPJMESA-N 2 1 329.488 2.713 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366850776 1338117246 /nfs/dbraw/zinc/11/72/46/1338117246.db2.gz FTTAALJFUHURHN-KRWDZBQOSA-N 2 1 341.927 2.833 20 30 EFEDMP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001367159008 1338457283 /nfs/dbraw/zinc/45/72/83/1338457283.db2.gz OJUBLPGDDBQZTP-UHFFFAOYSA-N 2 1 338.883 2.778 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368234054 1339278090 /nfs/dbraw/zinc/27/80/90/1339278090.db2.gz VLZOPVCJFOTAKG-NVXWUHKLSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368234054 1339278093 /nfs/dbraw/zinc/27/80/93/1339278093.db2.gz VLZOPVCJFOTAKG-NVXWUHKLSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001373319503 1340989806 /nfs/dbraw/zinc/98/98/06/1340989806.db2.gz GIXFIROEFRPTKX-UHFFFAOYSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001373319503 1340989804 /nfs/dbraw/zinc/98/98/04/1340989804.db2.gz GIXFIROEFRPTKX-UHFFFAOYSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001373319503 1340989805 /nfs/dbraw/zinc/98/98/05/1340989805.db2.gz GIXFIROEFRPTKX-UHFFFAOYSA-N 2 1 343.943 2.887 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001376368040 1343519993 /nfs/dbraw/zinc/51/99/93/1343519993.db2.gz UYDTUMDMZOVYRY-MUJYYYPQSA-N 2 1 339.911 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376614819 1343721766 /nfs/dbraw/zinc/72/17/66/1343721766.db2.gz CLLIGHXVPFTPKM-HZPDHXFCSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614819 1343721771 /nfs/dbraw/zinc/72/17/71/1343721771.db2.gz CLLIGHXVPFTPKM-HZPDHXFCSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001376614819 1343721776 /nfs/dbraw/zinc/72/17/76/1343721776.db2.gz CLLIGHXVPFTPKM-HZPDHXFCSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001377785958 1344436891 /nfs/dbraw/zinc/43/68/91/1344436891.db2.gz RPLJLZWCYZKPHD-SFHVURJKSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001377785958 1344436895 /nfs/dbraw/zinc/43/68/95/1344436895.db2.gz RPLJLZWCYZKPHD-SFHVURJKSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001377785958 1344436899 /nfs/dbraw/zinc/43/68/99/1344436899.db2.gz RPLJLZWCYZKPHD-SFHVURJKSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001377785958 1344436903 /nfs/dbraw/zinc/43/69/03/1344436903.db2.gz RPLJLZWCYZKPHD-SFHVURJKSA-N 2 1 349.906 2.651 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001393866745 1357226403 /nfs/dbraw/zinc/22/64/03/1357226403.db2.gz DCEJFCPXWPPYEM-IEBWSBKVSA-N 2 1 349.906 2.843 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001393866745 1357226406 /nfs/dbraw/zinc/22/64/06/1357226406.db2.gz DCEJFCPXWPPYEM-IEBWSBKVSA-N 2 1 349.906 2.843 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001379155351 1345631398 /nfs/dbraw/zinc/63/13/98/1345631398.db2.gz VJTQODZLLDEVNM-IAGOWNOFSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001379674611 1347249584 /nfs/dbraw/zinc/24/95/84/1347249584.db2.gz IOECMCQWKYANDZ-CABCVRRESA-N 2 1 338.883 2.634 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001381134581 1348100892 /nfs/dbraw/zinc/10/08/92/1348100892.db2.gz NZBGFRUIWFECKD-LSDHHAIUSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001381134581 1348100894 /nfs/dbraw/zinc/10/08/94/1348100894.db2.gz NZBGFRUIWFECKD-LSDHHAIUSA-N 2 1 329.916 2.542 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001394699111 1358024155 /nfs/dbraw/zinc/02/41/55/1358024155.db2.gz BQVQQMJXAFZUDD-QZTJIDSGSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001394699111 1358024157 /nfs/dbraw/zinc/02/41/57/1358024157.db2.gz BQVQQMJXAFZUDD-QZTJIDSGSA-N 2 1 349.906 2.745 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001391884009 1355620365 /nfs/dbraw/zinc/62/03/65/1355620365.db2.gz CTLOTIZGSBOTAN-ZBFHGGJFSA-N 2 1 341.927 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001392964180 1356470952 /nfs/dbraw/zinc/47/09/52/1356470952.db2.gz YHRBINGSHTVFHL-MQVJKMGUSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001393069602 1356557273 /nfs/dbraw/zinc/55/72/73/1356557273.db2.gz FTTZAHPWYQQQOD-UHFFFAOYSA-N 2 1 341.927 2.976 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060667 1387389951 /nfs/dbraw/zinc/38/99/51/1387389951.db2.gz RDYFMZVZMNPELZ-IAGOWNOFSA-N 2 1 341.927 2.832 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398311198 1360456102 /nfs/dbraw/zinc/45/61/02/1360456102.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001402031699 1363343361 /nfs/dbraw/zinc/34/33/61/1363343361.db2.gz MEJVSPGOOISTQK-GDBMZVCRSA-N 2 1 327.900 2.582 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064559 1363371166 /nfs/dbraw/zinc/37/11/66/1363371166.db2.gz ZMHNBNLPQNORTN-GJZGRUSLSA-N 2 1 329.916 2.686 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809778 1364056613 /nfs/dbraw/zinc/05/66/13/1364056613.db2.gz CRLQVKYEVYKKKK-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809778 1364056616 /nfs/dbraw/zinc/05/66/16/1364056616.db2.gz CRLQVKYEVYKKKK-JKSUJKDBSA-N 2 1 327.900 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403317409 1364535377 /nfs/dbraw/zinc/53/53/77/1364535377.db2.gz CYVMUSQPUPFCPJ-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403317409 1364535382 /nfs/dbraw/zinc/53/53/82/1364535382.db2.gz CYVMUSQPUPFCPJ-QGZVFWFLSA-N 2 1 341.927 2.928 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1CC ZINC001406809101 1368082894 /nfs/dbraw/zinc/08/28/94/1368082894.db2.gz OAQNDEKGNHPWDV-CVEARBPZSA-N 2 1 329.916 2.688 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001407552458 1368976039 /nfs/dbraw/zinc/97/60/39/1368976039.db2.gz UCPFFCXVPAXPOG-GJZGRUSLSA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001407552449 1368976738 /nfs/dbraw/zinc/97/67/38/1368976738.db2.gz UCPFFCXVPAXPOG-CABCVRRESA-N 2 1 329.916 2.543 20 30 EFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001407556767 1368983205 /nfs/dbraw/zinc/98/32/05/1368983205.db2.gz USGMDYGWJXPVEL-YVSFHVDLSA-N 2 1 341.927 2.684 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001437987690 1388298741 /nfs/dbraw/zinc/29/87/41/1388298741.db2.gz PBXLUGIOCLZUSO-INIZCTEOSA-N 2 1 341.927 2.640 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001418901953 1374659261 /nfs/dbraw/zinc/65/92/61/1374659261.db2.gz AFLCWXLEWVDZHJ-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001418901953 1374659259 /nfs/dbraw/zinc/65/92/59/1374659259.db2.gz AFLCWXLEWVDZHJ-OAHLLOKOSA-N 2 1 329.916 2.545 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001419831254 1375952397 /nfs/dbraw/zinc/95/23/97/1375952397.db2.gz NQVDLNPABBUUCI-JKSUJKDBSA-N 2 1 343.943 2.934 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001420017818 1376292247 /nfs/dbraw/zinc/29/22/47/1376292247.db2.gz KTGJNSRKCCOMIC-JKSUJKDBSA-N 2 1 338.883 2.741 20 30 EFEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001420956349 1377936885 /nfs/dbraw/zinc/93/68/85/1377936885.db2.gz SYPOGQUFCMOGQE-QGZVFWFLSA-N 2 1 349.906 2.895 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001421580099 1378842082 /nfs/dbraw/zinc/84/20/82/1378842082.db2.gz RTFJMENJEUXMPH-PBHICJAKSA-N 2 1 329.916 2.735 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001425963302 1383902616 /nfs/dbraw/zinc/90/26/16/1383902616.db2.gz VGJRCWVUHLPEKJ-HUUCEWRRSA-N 2 1 329.916 2.591 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001440222734 1389452960 /nfs/dbraw/zinc/45/29/60/1389452960.db2.gz YSYMWZVGXTVFDJ-BRWVUGGUSA-N 2 1 341.927 2.876 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001449058904 1392242040 /nfs/dbraw/zinc/24/20/40/1392242040.db2.gz NWUXGQMBYWBERQ-HOTGVXAUSA-N 2 1 338.883 2.599 20 30 EFEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001500384052 1403088015 /nfs/dbraw/zinc/08/80/15/1403088015.db2.gz KZLAAZMECFZXNY-KRWDZBQOSA-N 2 1 338.883 2.552 20 30 EFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698552404 1417302883 /nfs/dbraw/zinc/30/28/83/1417302883.db2.gz JNUBVOWNAJOEMJ-PKOBYXMFSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969834339 713275957 /nfs/dbraw/zinc/27/59/57/713275957.db2.gz XVBWMEFVNPDOJD-VQIMIIECSA-N 2 1 333.520 2.796 20 30 EFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906690 713435356 /nfs/dbraw/zinc/43/53/56/713435356.db2.gz IHGDCNDAWVIXDJ-BZUAXINKSA-N 2 1 327.900 2.630 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980211759 717910362 /nfs/dbraw/zinc/91/03/62/717910362.db2.gz HORHQWBWOXCSQR-GVDBMIGSSA-N 2 1 342.487 2.554 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167210 713673334 /nfs/dbraw/zinc/67/33/34/713673334.db2.gz OZIQHOMYZSPZJO-FQEVSTJZSA-N 2 1 347.547 2.855 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970453538 713721556 /nfs/dbraw/zinc/72/15/56/713721556.db2.gz TZTSNDXLACNKPJ-CVEARBPZSA-N 2 1 327.900 2.584 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980216387 717929787 /nfs/dbraw/zinc/92/97/87/717929787.db2.gz JOYVPDCYNSGCMB-ZCNNSNEGSA-N 2 1 347.547 2.900 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980218405 717933038 /nfs/dbraw/zinc/93/30/38/717933038.db2.gz NDVVELYBOCEDPS-SLFFLAALSA-N 2 1 347.547 2.900 20 30 EFEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205140 713918517 /nfs/dbraw/zinc/91/85/17/713918517.db2.gz KZOHGOYXHXDATQ-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205140 713918519 /nfs/dbraw/zinc/91/85/19/713918519.db2.gz KZOHGOYXHXDATQ-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205140 713918520 /nfs/dbraw/zinc/91/85/20/713918520.db2.gz KZOHGOYXHXDATQ-RTBURBONSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557205 717936313 /nfs/dbraw/zinc/93/63/13/717936313.db2.gz OFCZQYCSAARNQZ-QGZVFWFLSA-N 2 1 326.444 2.885 20 30 EFEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620428 714188790 /nfs/dbraw/zinc/18/87/90/714188790.db2.gz UGXITPMUOMGGJH-APWZRJJASA-N 2 1 338.455 2.755 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622022 714191515 /nfs/dbraw/zinc/19/15/15/714191515.db2.gz GUKZNWKCCQHVBV-IEBWSBKVSA-N 2 1 338.455 2.837 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666116 714265007 /nfs/dbraw/zinc/26/50/07/714265007.db2.gz PHTDXKLMDSIFSX-MOPGFXCFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571341 717962255 /nfs/dbraw/zinc/96/22/55/717962255.db2.gz YDOHAGIJVNJFJB-SFHVURJKSA-N 2 1 329.488 2.561 20 30 EFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681752 714295344 /nfs/dbraw/zinc/29/53/44/714295344.db2.gz JFZIPWQYLMOIBQ-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681752 714295345 /nfs/dbraw/zinc/29/53/45/714295345.db2.gz JFZIPWQYLMOIBQ-QZTJIDSGSA-N 2 1 344.503 2.896 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700436 714333133 /nfs/dbraw/zinc/33/31/33/714333133.db2.gz PVIQCSWXGHIBSG-OALUTQOASA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723995 714371490 /nfs/dbraw/zinc/37/14/90/714371490.db2.gz HRNZEEAKHUOJDX-MJGOQNOKSA-N 2 1 344.503 2.632 20 30 EFEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160671338 714403845 /nfs/dbraw/zinc/40/38/45/714403845.db2.gz ZGSPZCYEHABHNY-NSHDSACASA-N 2 1 330.354 2.654 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947472130 715066940 /nfs/dbraw/zinc/06/69/40/715066940.db2.gz GAEQXCKKWPOEDO-DZGCQCFKSA-N 2 1 346.862 2.978 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947472130 715066943 /nfs/dbraw/zinc/06/69/43/715066943.db2.gz GAEQXCKKWPOEDO-DZGCQCFKSA-N 2 1 346.862 2.978 20 30 EFEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618021 718030781 /nfs/dbraw/zinc/03/07/81/718030781.db2.gz PANGYGKXFAQCNX-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618021 718030784 /nfs/dbraw/zinc/03/07/84/718030784.db2.gz PANGYGKXFAQCNX-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618021 718030787 /nfs/dbraw/zinc/03/07/87/718030787.db2.gz PANGYGKXFAQCNX-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618021 718030790 /nfs/dbraw/zinc/03/07/90/718030790.db2.gz PANGYGKXFAQCNX-PMACEKPBSA-N 2 1 345.531 2.778 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623510 718035711 /nfs/dbraw/zinc/03/57/11/718035711.db2.gz FFTVQSAOJNDVPV-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024623510 718035712 /nfs/dbraw/zinc/03/57/12/718035712.db2.gz FFTVQSAOJNDVPV-ZWKOTPCHSA-N 2 1 344.503 2.691 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973530 715388143 /nfs/dbraw/zinc/38/81/43/715388143.db2.gz JSMFAYKSGHIBPW-FUHWJXTLSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974973530 715388147 /nfs/dbraw/zinc/38/81/47/715388147.db2.gz JSMFAYKSGHIBPW-FUHWJXTLSA-N 2 1 344.503 2.547 20 30 EFEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158016 715451101 /nfs/dbraw/zinc/45/11/01/715451101.db2.gz JJCKBOKHAYFXFT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972158016 715451105 /nfs/dbraw/zinc/45/11/05/715451105.db2.gz JJCKBOKHAYFXFT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972158016 715451110 /nfs/dbraw/zinc/45/11/10/715451110.db2.gz JJCKBOKHAYFXFT-OALUTQOASA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972339966 715720267 /nfs/dbraw/zinc/72/02/67/715720267.db2.gz PPJFHOVZKRZKSW-SFHVURJKSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972339966 715720271 /nfs/dbraw/zinc/72/02/71/715720271.db2.gz PPJFHOVZKRZKSW-SFHVURJKSA-N 2 1 349.906 2.690 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027444479 715820008 /nfs/dbraw/zinc/82/00/08/715820008.db2.gz RTXSYZQKKCGLGD-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444479 715820012 /nfs/dbraw/zinc/82/00/12/715820012.db2.gz RTXSYZQKKCGLGD-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444479 715820015 /nfs/dbraw/zinc/82/00/15/715820015.db2.gz RTXSYZQKKCGLGD-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444479 715820020 /nfs/dbraw/zinc/82/00/20/715820020.db2.gz RTXSYZQKKCGLGD-IAGOWNOFSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027444481 715820217 /nfs/dbraw/zinc/82/02/17/715820217.db2.gz RTXSYZQKKCGLGD-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444481 715820224 /nfs/dbraw/zinc/82/02/24/715820224.db2.gz RTXSYZQKKCGLGD-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444481 715820227 /nfs/dbraw/zinc/82/02/27/715820227.db2.gz RTXSYZQKKCGLGD-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444481 715820233 /nfs/dbraw/zinc/82/02/33/715820233.db2.gz RTXSYZQKKCGLGD-SJORKVTESA-N 2 1 341.927 2.925 20 30 EFEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000176748449 715840045 /nfs/dbraw/zinc/84/00/45/715840045.db2.gz DDSAIRBZWKMLBR-QGZVFWFLSA-N 2 1 345.487 2.956 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504779 716086388 /nfs/dbraw/zinc/08/63/88/716086388.db2.gz IFZWLSBDNPSILT-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504779 716086392 /nfs/dbraw/zinc/08/63/92/716086392.db2.gz IFZWLSBDNPSILT-IAGOWNOFSA-N 2 1 339.911 2.536 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977334206 716096898 /nfs/dbraw/zinc/09/68/98/716096898.db2.gz KIBJZJPHEKICAA-GOSISDBHSA-N 2 1 329.488 2.765 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507506 716097607 /nfs/dbraw/zinc/09/76/07/716097607.db2.gz OXDNGOGZLUMFTR-SFHVURJKSA-N 2 1 329.488 2.513 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707766 716133840 /nfs/dbraw/zinc/13/38/40/716133840.db2.gz YBYYDQZDVGFXOM-LJQANCHMSA-N 2 1 329.488 2.561 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552211 716351401 /nfs/dbraw/zinc/35/14/01/716351401.db2.gz PCJMRQROHLTVEM-QGZVFWFLSA-N 2 1 335.879 2.647 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552211 716351404 /nfs/dbraw/zinc/35/14/04/716351404.db2.gz PCJMRQROHLTVEM-QGZVFWFLSA-N 2 1 335.879 2.647 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556750 716478576 /nfs/dbraw/zinc/47/85/76/716478576.db2.gz SWIXZFSSGFWFLL-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556750 716478577 /nfs/dbraw/zinc/47/85/77/716478577.db2.gz SWIXZFSSGFWFLL-DLBZAZTESA-N 2 1 344.503 2.697 20 30 EFEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456876 716492331 /nfs/dbraw/zinc/49/23/31/716492331.db2.gz BCBSERXKYFOTOP-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456876 716492335 /nfs/dbraw/zinc/49/23/35/716492335.db2.gz BCBSERXKYFOTOP-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456876 716492340 /nfs/dbraw/zinc/49/23/40/716492340.db2.gz BCBSERXKYFOTOP-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489458 716533491 /nfs/dbraw/zinc/53/34/91/716533491.db2.gz BVYOBYLNHGVWIH-CQSZACIVSA-N 2 1 332.835 2.529 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489458 716533496 /nfs/dbraw/zinc/53/34/96/716533496.db2.gz BVYOBYLNHGVWIH-CQSZACIVSA-N 2 1 332.835 2.529 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692622 716541765 /nfs/dbraw/zinc/54/17/65/716541765.db2.gz MGSBZFNTBUFKML-GOSISDBHSA-N 2 1 329.488 2.861 20 30 EFEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699989 716567540 /nfs/dbraw/zinc/56/75/40/716567540.db2.gz OOXIVACFJWQQKU-INIZCTEOSA-N 2 1 333.476 2.844 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023548097 716612700 /nfs/dbraw/zinc/61/27/00/716612700.db2.gz BCBPRSWMVKECGA-IRXDYDNUSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023548097 716612705 /nfs/dbraw/zinc/61/27/05/716612705.db2.gz BCBPRSWMVKECGA-IRXDYDNUSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023548097 716612708 /nfs/dbraw/zinc/61/27/08/716612708.db2.gz BCBPRSWMVKECGA-IRXDYDNUSA-N 2 1 341.927 2.689 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023548097 716612712 /nfs/dbraw/zinc/61/27/12/716612712.db2.gz BCBPRSWMVKECGA-IRXDYDNUSA-N 2 1 341.927 2.689 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552244 716615451 /nfs/dbraw/zinc/61/54/51/716615451.db2.gz BQHVYGLDNMCKTC-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552244 716615453 /nfs/dbraw/zinc/61/54/53/716615453.db2.gz BQHVYGLDNMCKTC-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552244 716615456 /nfs/dbraw/zinc/61/54/56/716615456.db2.gz BQHVYGLDNMCKTC-AZUAARDMSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588701 716661606 /nfs/dbraw/zinc/66/16/06/716661606.db2.gz IXOBTNFYWGYOIU-LJQANCHMSA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576949 716701958 /nfs/dbraw/zinc/70/19/58/716701958.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576949 716701962 /nfs/dbraw/zinc/70/19/62/716701962.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576949 716701966 /nfs/dbraw/zinc/70/19/66/716701966.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576952 716701979 /nfs/dbraw/zinc/70/19/79/716701979.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576952 716701983 /nfs/dbraw/zinc/70/19/83/716701983.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576952 716701988 /nfs/dbraw/zinc/70/19/88/716701988.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 2 1 339.499 2.698 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601704 716916177 /nfs/dbraw/zinc/91/61/77/716916177.db2.gz GVBPUNJZOMIJMZ-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601704 716916179 /nfs/dbraw/zinc/91/61/79/716916179.db2.gz GVBPUNJZOMIJMZ-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601704 716916182 /nfs/dbraw/zinc/91/61/82/716916182.db2.gz GVBPUNJZOMIJMZ-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601704 716916185 /nfs/dbraw/zinc/91/61/85/716916185.db2.gz GVBPUNJZOMIJMZ-IRXDYDNUSA-N 2 1 341.927 2.925 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)cnc4c3)C[C@H]2C1 ZINC000979714503 717358840 /nfs/dbraw/zinc/35/88/40/717358840.db2.gz PBXDMHFZFKYAKD-OKZBNKHCSA-N 2 1 338.455 2.659 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979975552 717630008 /nfs/dbraw/zinc/63/00/08/717630008.db2.gz BPTAQEJGAMFXLZ-FHWLQOOXSA-N 2 1 345.531 2.655 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980140172 717783659 /nfs/dbraw/zinc/78/36/59/717783659.db2.gz JZWGNOZWULDECT-BZSNNMDCSA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980140174 717783893 /nfs/dbraw/zinc/78/38/93/717783893.db2.gz JZWGNOZWULDECT-KSZLIROESA-N 2 1 338.455 2.741 20 30 EFEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478110 717790424 /nfs/dbraw/zinc/79/04/24/717790424.db2.gz QUTUELUSOSLGCS-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478110 717790428 /nfs/dbraw/zinc/79/04/28/717790428.db2.gz QUTUELUSOSLGCS-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478110 717790430 /nfs/dbraw/zinc/79/04/30/717790430.db2.gz QUTUELUSOSLGCS-RBUKOAKNSA-N 2 1 335.536 2.901 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980143887 717791075 /nfs/dbraw/zinc/79/10/75/717791075.db2.gz OBXNIPMBEVKFMM-SZMVWBNQSA-N 2 1 338.455 2.741 20 30 EFEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024486697 717810663 /nfs/dbraw/zinc/81/06/63/717810663.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980155187 717812231 /nfs/dbraw/zinc/81/22/31/717812231.db2.gz IAAYVOQKKUBYHX-CGTJXYLNSA-N 2 1 345.487 2.748 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166812 717831105 /nfs/dbraw/zinc/83/11/05/717831105.db2.gz JLZIEHNWEAXFCV-FHWLQOOXSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166812 717831108 /nfs/dbraw/zinc/83/11/08/717831108.db2.gz JLZIEHNWEAXFCV-FHWLQOOXSA-N 2 1 347.547 2.901 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166812 717831112 /nfs/dbraw/zinc/83/11/12/717831112.db2.gz JLZIEHNWEAXFCV-FHWLQOOXSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181548 717849567 /nfs/dbraw/zinc/84/95/67/717849567.db2.gz DUAKXPLZNPDPIE-SLFFLAALSA-N 2 1 341.499 2.765 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980182214 717850764 /nfs/dbraw/zinc/85/07/64/717850764.db2.gz CDXVWBQFUNCMJO-FHWLQOOXSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980183166 717867783 /nfs/dbraw/zinc/86/77/83/717867783.db2.gz GBNRXWOPRQMPJQ-BZSNNMDCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980183166 717867784 /nfs/dbraw/zinc/86/77/84/717867784.db2.gz GBNRXWOPRQMPJQ-BZSNNMDCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980188101 717876837 /nfs/dbraw/zinc/87/68/37/717876837.db2.gz RHFGPCOBSXZRBP-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980188101 717876839 /nfs/dbraw/zinc/87/68/39/717876839.db2.gz RHFGPCOBSXZRBP-OKZBNKHCSA-N 2 1 344.503 2.799 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980190746 717881488 /nfs/dbraw/zinc/88/14/88/717881488.db2.gz YUTIIFOOBAORMS-XUVXKRRUSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649385 718062930 /nfs/dbraw/zinc/06/29/30/718062930.db2.gz SRPDAOOECNHXMA-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168923 718163257 /nfs/dbraw/zinc/16/32/57/718163257.db2.gz LJUASHXEANOJEE-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981168923 718163258 /nfs/dbraw/zinc/16/32/58/718163258.db2.gz LJUASHXEANOJEE-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981168923 718163259 /nfs/dbraw/zinc/16/32/59/718163259.db2.gz LJUASHXEANOJEE-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814043 718174436 /nfs/dbraw/zinc/17/44/36/718174436.db2.gz NETXVKJXEPXAKT-GOSISDBHSA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810901 718175165 /nfs/dbraw/zinc/17/51/65/718175165.db2.gz LCRFWGPARPIANH-LJQANCHMSA-N 2 1 329.488 2.909 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024987860 718249590 /nfs/dbraw/zinc/24/95/90/718249590.db2.gz XPFPEQBWJKDOMQ-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024987860 718249591 /nfs/dbraw/zinc/24/95/91/718249591.db2.gz XPFPEQBWJKDOMQ-PMACEKPBSA-N 2 1 343.515 2.555 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024987578 718249681 /nfs/dbraw/zinc/24/96/81/718249681.db2.gz NAQCZGQFZJIDEE-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024987578 718249683 /nfs/dbraw/zinc/24/96/83/718249683.db2.gz NAQCZGQFZJIDEE-PMACEKPBSA-N 2 1 345.531 2.635 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](NC(=O)c2occc2CN(C)C)C[C@H]1C ZINC000947663290 718432072 /nfs/dbraw/zinc/43/20/72/718432072.db2.gz STQOMBFTELNQPJ-UKRRQHHQSA-N 2 1 339.867 2.676 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240358 718460045 /nfs/dbraw/zinc/46/00/45/718460045.db2.gz NPZRXTNMXRAGBX-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240358 718460046 /nfs/dbraw/zinc/46/00/46/718460046.db2.gz NPZRXTNMXRAGBX-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240358 718460047 /nfs/dbraw/zinc/46/00/47/718460047.db2.gz NPZRXTNMXRAGBX-RTBURBONSA-N 2 1 333.520 2.892 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244567 718463330 /nfs/dbraw/zinc/46/33/30/718463330.db2.gz WIVMYQMFJBECCL-RTBURBONSA-N 2 1 345.531 2.894 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248292 718469235 /nfs/dbraw/zinc/46/92/35/718469235.db2.gz YBMRKDILQDPCEF-OALUTQOASA-N 2 1 338.455 2.979 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258693 718475186 /nfs/dbraw/zinc/47/51/86/718475186.db2.gz IFOJSOWXXUSEMX-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258693 718475188 /nfs/dbraw/zinc/47/51/88/718475188.db2.gz IFOJSOWXXUSEMX-QZTJIDSGSA-N 2 1 345.487 2.986 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259652 718476200 /nfs/dbraw/zinc/47/62/00/718476200.db2.gz SKYCNEACMLWMMI-ZWKOTPCHSA-N 2 1 333.520 2.892 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252164 718477374 /nfs/dbraw/zinc/47/73/74/718477374.db2.gz MQXGBJNYQIODIG-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025252164 718477376 /nfs/dbraw/zinc/47/73/76/718477376.db2.gz MQXGBJNYQIODIG-ROUUACIJSA-N 2 1 330.476 2.613 20 30 EFEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265290 718486454 /nfs/dbraw/zinc/48/64/54/718486454.db2.gz DYBRKCSJISUHCB-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265290 718486456 /nfs/dbraw/zinc/48/64/56/718486456.db2.gz DYBRKCSJISUHCB-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265290 718486459 /nfs/dbraw/zinc/48/64/59/718486459.db2.gz DYBRKCSJISUHCB-RBUKOAKNSA-N 2 1 345.531 2.587 20 30 EFEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266089 718486851 /nfs/dbraw/zinc/48/68/51/718486851.db2.gz IYRWOIUDXIOLPK-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266089 718486853 /nfs/dbraw/zinc/48/68/53/718486853.db2.gz IYRWOIUDXIOLPK-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266089 718486854 /nfs/dbraw/zinc/48/68/54/718486854.db2.gz IYRWOIUDXIOLPK-ZWKOTPCHSA-N 2 1 333.520 2.750 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260582 718488122 /nfs/dbraw/zinc/48/81/22/718488122.db2.gz YNDCDUYOSJPVOX-RBUKOAKNSA-N 2 1 345.531 2.730 20 30 EFEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287315 718523703 /nfs/dbraw/zinc/52/37/03/718523703.db2.gz DHCLSKLTPMTCFE-MOPGFXCFSA-N 2 1 342.487 2.793 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287315 718523706 /nfs/dbraw/zinc/52/37/06/718523706.db2.gz DHCLSKLTPMTCFE-MOPGFXCFSA-N 2 1 342.487 2.793 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294126 718535871 /nfs/dbraw/zinc/53/58/71/718535871.db2.gz IKSRIJWDUTYXEG-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294126 718535873 /nfs/dbraw/zinc/53/58/73/718535873.db2.gz IKSRIJWDUTYXEG-MSOLQXFVSA-N 2 1 330.476 2.613 20 30 EFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981364535 718665592 /nfs/dbraw/zinc/66/55/92/718665592.db2.gz ODHQGAMRQSEJTF-CABCVRRESA-N 2 1 338.883 2.776 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094450 718727485 /nfs/dbraw/zinc/72/74/85/718727485.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094450 718727486 /nfs/dbraw/zinc/72/74/86/718727486.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094450 718727489 /nfs/dbraw/zinc/72/74/89/718727489.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094449 718727592 /nfs/dbraw/zinc/72/75/92/718727592.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094449 718727593 /nfs/dbraw/zinc/72/75/93/718727593.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094449 718727597 /nfs/dbraw/zinc/72/75/97/718727597.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 2 1 333.520 2.940 20 30 EFEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027795 /nfs/dbraw/zinc/02/77/95/719027795.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027801 /nfs/dbraw/zinc/02/78/01/719027801.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027807 /nfs/dbraw/zinc/02/78/07/719027807.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 2 1 345.531 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769147 719029128 /nfs/dbraw/zinc/02/91/28/719029128.db2.gz ZIHVJNFFSPSDOB-UHFFFAOYSA-N 2 1 333.520 2.751 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981798999 719052069 /nfs/dbraw/zinc/05/20/69/719052069.db2.gz FBLMUEBSBMFVFZ-UHFFFAOYSA-N 2 1 347.528 2.924 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516282 719052994 /nfs/dbraw/zinc/05/29/94/719052994.db2.gz RCHYWTKQHSOEQE-CVEARBPZSA-N 2 1 333.476 2.748 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981813984 719062818 /nfs/dbraw/zinc/06/28/18/719062818.db2.gz TWDUFRISPGESLZ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981813984 719062825 /nfs/dbraw/zinc/06/28/25/719062825.db2.gz TWDUFRISPGESLZ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981813984 719062829 /nfs/dbraw/zinc/06/28/29/719062829.db2.gz TWDUFRISPGESLZ-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981810318 719070996 /nfs/dbraw/zinc/07/09/96/719070996.db2.gz YJQWGARKOSKFGZ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981810318 719071000 /nfs/dbraw/zinc/07/10/00/719071000.db2.gz YJQWGARKOSKFGZ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981810318 719071004 /nfs/dbraw/zinc/07/10/04/719071004.db2.gz YJQWGARKOSKFGZ-LJQANCHMSA-N 2 1 333.520 2.894 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528132 719071649 /nfs/dbraw/zinc/07/16/49/719071649.db2.gz QKCJLMPYOWQLAV-FXAWDEMLSA-N 2 1 343.515 2.807 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528135 719071885 /nfs/dbraw/zinc/07/18/85/719071885.db2.gz QKCJLMPYOWQLAV-YLJYHZDGSA-N 2 1 343.515 2.807 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822863 719090707 /nfs/dbraw/zinc/09/07/07/719090707.db2.gz VEMBDEKYUNDYMJ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822863 719090708 /nfs/dbraw/zinc/09/07/08/719090708.db2.gz VEMBDEKYUNDYMJ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822863 719090711 /nfs/dbraw/zinc/09/07/11/719090711.db2.gz VEMBDEKYUNDYMJ-GOSISDBHSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138605 719117866 /nfs/dbraw/zinc/11/78/66/719117866.db2.gz ZLTYEFBLLFIIIA-HXUWFJFHSA-N 2 1 343.515 2.951 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000981842020 719118811 /nfs/dbraw/zinc/11/88/11/719118811.db2.gz RMFVTYWYDDQZFT-UHFFFAOYSA-N 2 1 343.471 2.523 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590769 719176188 /nfs/dbraw/zinc/17/61/88/719176188.db2.gz RJIZKPOQINORRR-XLIONFOSSA-N 2 1 347.547 2.901 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472897 719179262 /nfs/dbraw/zinc/17/92/62/719179262.db2.gz OTYGNCVGOHOHJC-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472897 719179264 /nfs/dbraw/zinc/17/92/64/719179264.db2.gz OTYGNCVGOHOHJC-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472897 719179267 /nfs/dbraw/zinc/17/92/67/719179267.db2.gz OTYGNCVGOHOHJC-NRSPTQNISA-N 2 1 347.547 2.855 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598176 719199844 /nfs/dbraw/zinc/19/98/44/719199844.db2.gz VPCGSNPAUATJGD-HZPDHXFCSA-N 2 1 330.476 2.554 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025598176 719199846 /nfs/dbraw/zinc/19/98/46/719199846.db2.gz VPCGSNPAUATJGD-HZPDHXFCSA-N 2 1 330.476 2.554 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627683 719248707 /nfs/dbraw/zinc/24/87/07/719248707.db2.gz AWVSEDNQSOKNPZ-UYAOXDASSA-N 2 1 347.547 2.594 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630941 719258688 /nfs/dbraw/zinc/25/86/88/719258688.db2.gz XDEVIKGXTILSIX-ROUUACIJSA-N 2 1 341.499 2.602 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203504 719456853 /nfs/dbraw/zinc/45/68/53/719456853.db2.gz VWSUUDFIQLKQEQ-IBGZPJMESA-N 2 1 329.488 2.909 20 30 EFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052439 719506907 /nfs/dbraw/zinc/50/69/07/719506907.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052439 719506909 /nfs/dbraw/zinc/50/69/09/719506909.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052439 719506913 /nfs/dbraw/zinc/50/69/13/719506913.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 2 1 333.520 2.750 20 30 EFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062732 719517173 /nfs/dbraw/zinc/51/71/73/719517173.db2.gz CZZHUOYCHKZQER-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982062732 719517176 /nfs/dbraw/zinc/51/71/76/719517176.db2.gz CZZHUOYCHKZQER-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062732 719517179 /nfs/dbraw/zinc/51/71/79/719517179.db2.gz CZZHUOYCHKZQER-MSOLQXFVSA-N 2 1 331.504 2.504 20 30 EFEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110807 719569563 /nfs/dbraw/zinc/56/95/63/719569563.db2.gz ZVBTULUAZMBUKY-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110807 719569565 /nfs/dbraw/zinc/56/95/65/719569565.db2.gz ZVBTULUAZMBUKY-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000982110807 719569567 /nfs/dbraw/zinc/56/95/67/719569567.db2.gz ZVBTULUAZMBUKY-LJQANCHMSA-N 2 1 345.531 2.589 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162324 719606883 /nfs/dbraw/zinc/60/68/83/719606883.db2.gz OHHRNGUIKHOJLQ-QZTJIDSGSA-N 2 1 333.520 2.750 20 30 EFEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163701 719608856 /nfs/dbraw/zinc/60/88/56/719608856.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163701 719608860 /nfs/dbraw/zinc/60/88/60/719608860.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163701 719608863 /nfs/dbraw/zinc/60/88/63/719608863.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 2 1 333.520 2.751 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164557 719609379 /nfs/dbraw/zinc/60/93/79/719609379.db2.gz QXRRRANZZYLREF-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164557 719609383 /nfs/dbraw/zinc/60/93/83/719609383.db2.gz QXRRRANZZYLREF-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164557 719609386 /nfs/dbraw/zinc/60/93/86/719609386.db2.gz QXRRRANZZYLREF-IBGZPJMESA-N 2 1 341.499 2.790 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982161179 719619798 /nfs/dbraw/zinc/61/97/98/719619798.db2.gz IUODIPBSWKGEAK-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982161179 719619801 /nfs/dbraw/zinc/61/98/01/719619801.db2.gz IUODIPBSWKGEAK-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161179 719619806 /nfs/dbraw/zinc/61/98/06/719619806.db2.gz IUODIPBSWKGEAK-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161179 719619808 /nfs/dbraw/zinc/61/98/08/719619808.db2.gz IUODIPBSWKGEAK-MRXNPFEDSA-N 2 1 339.911 2.538 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982280578 719790041 /nfs/dbraw/zinc/79/00/41/719790041.db2.gz BQJBRYOPSIDRQV-BGYRXZFFSA-N 2 1 333.520 2.607 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295390 719836437 /nfs/dbraw/zinc/83/64/37/719836437.db2.gz SFIYFQNGFYIMSM-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295390 719836445 /nfs/dbraw/zinc/83/64/45/719836445.db2.gz SFIYFQNGFYIMSM-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295390 719836450 /nfs/dbraw/zinc/83/64/50/719836450.db2.gz SFIYFQNGFYIMSM-SESVDKBCSA-N 2 1 347.547 2.711 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296380 719837749 /nfs/dbraw/zinc/83/77/49/719837749.db2.gz RLSDEFDZJMGYTN-NRSPTQNISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296380 719837755 /nfs/dbraw/zinc/83/77/55/719837755.db2.gz RLSDEFDZJMGYTN-NRSPTQNISA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296380 719837761 /nfs/dbraw/zinc/83/77/61/719837761.db2.gz RLSDEFDZJMGYTN-NRSPTQNISA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296544 719844488 /nfs/dbraw/zinc/84/44/88/719844488.db2.gz UODLMERLPQEUBF-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296544 719844492 /nfs/dbraw/zinc/84/44/92/719844492.db2.gz UODLMERLPQEUBF-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296544 719844495 /nfs/dbraw/zinc/84/44/95/719844495.db2.gz UODLMERLPQEUBF-SESVDKBCSA-N 2 1 347.547 2.996 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982299569 719851655 /nfs/dbraw/zinc/85/16/55/719851655.db2.gz IWQITNIJJKIWCY-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299569 719851663 /nfs/dbraw/zinc/85/16/63/719851663.db2.gz IWQITNIJJKIWCY-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299569 719851671 /nfs/dbraw/zinc/85/16/71/719851671.db2.gz IWQITNIJJKIWCY-SESVDKBCSA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982299568 719851978 /nfs/dbraw/zinc/85/19/78/719851978.db2.gz IWQITNIJJKIWCY-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299568 719851981 /nfs/dbraw/zinc/85/19/81/719851981.db2.gz IWQITNIJJKIWCY-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299568 719851986 /nfs/dbraw/zinc/85/19/86/719851986.db2.gz IWQITNIJJKIWCY-NRSPTQNISA-N 2 1 347.547 2.997 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305260 719868656 /nfs/dbraw/zinc/86/86/56/719868656.db2.gz QCWVWQLCTZHSPZ-BGYRXZFFSA-N 2 1 345.531 2.609 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306337 719874778 /nfs/dbraw/zinc/87/47/78/719874778.db2.gz PQRFDRYTEPXNLM-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306337 719874784 /nfs/dbraw/zinc/87/47/84/719874784.db2.gz PQRFDRYTEPXNLM-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306337 719874788 /nfs/dbraw/zinc/87/47/88/719874788.db2.gz PQRFDRYTEPXNLM-JYAXBFRTSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306480 719875351 /nfs/dbraw/zinc/87/53/51/719875351.db2.gz RYYMAVJFJPIIGN-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306480 719875355 /nfs/dbraw/zinc/87/53/55/719875355.db2.gz RYYMAVJFJPIIGN-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306480 719875359 /nfs/dbraw/zinc/87/53/59/719875359.db2.gz RYYMAVJFJPIIGN-JYRKZWEQSA-N 2 1 345.531 2.750 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982320302 719899285 /nfs/dbraw/zinc/89/92/85/719899285.db2.gz CXXKCJLAPLVDRE-OYRHEFFESA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982320302 719899296 /nfs/dbraw/zinc/89/92/96/719899296.db2.gz CXXKCJLAPLVDRE-OYRHEFFESA-N 2 1 347.547 2.996 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982320302 719899309 /nfs/dbraw/zinc/89/93/09/719899309.db2.gz CXXKCJLAPLVDRE-OYRHEFFESA-N 2 1 347.547 2.996 20 30 EFEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333137 719919143 /nfs/dbraw/zinc/91/91/43/719919143.db2.gz SUCRJIONVKBCIO-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333137 719919145 /nfs/dbraw/zinc/91/91/45/719919145.db2.gz SUCRJIONVKBCIO-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333137 719919148 /nfs/dbraw/zinc/91/91/48/719919148.db2.gz SUCRJIONVKBCIO-SESVDKBCSA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982402468 720016619 /nfs/dbraw/zinc/01/66/19/720016619.db2.gz PXEGLMRTSOWYCH-NRSPTQNISA-N 2 1 345.531 2.607 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343795 720398563 /nfs/dbraw/zinc/39/85/63/720398563.db2.gz RUGKKQSXVLSYQO-INIZCTEOSA-N 2 1 333.476 2.892 20 30 EFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026508701 720690517 /nfs/dbraw/zinc/69/05/17/720690517.db2.gz GBWBVUWPQAXDLC-MHJFOBGBSA-N 2 1 345.531 2.681 20 30 EFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026508701 720690519 /nfs/dbraw/zinc/69/05/19/720690519.db2.gz GBWBVUWPQAXDLC-MHJFOBGBSA-N 2 1 345.531 2.681 20 30 EFEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547603 720731479 /nfs/dbraw/zinc/73/14/79/720731479.db2.gz RYRCILVMDGJMLY-GTPINHCMSA-N 2 1 341.927 2.878 20 30 EFEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958698 /nfs/dbraw/zinc/95/86/98/720958698.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958701 /nfs/dbraw/zinc/95/87/01/720958701.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958707 /nfs/dbraw/zinc/95/87/07/720958707.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 2 1 333.520 2.606 20 30 EFEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694081 721094533 /nfs/dbraw/zinc/09/45/33/721094533.db2.gz IWCQUFKFQCYMHV-OYRHEFFESA-N 2 1 347.547 2.853 20 30 EFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974749182 721385550 /nfs/dbraw/zinc/38/55/50/721385550.db2.gz YKCXEBFFSGLAKJ-KRWDZBQOSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862406 721484111 /nfs/dbraw/zinc/48/41/11/721484111.db2.gz KAPAYQNZGPADCX-ROUUACIJSA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756018 721937802 /nfs/dbraw/zinc/93/78/02/721937802.db2.gz ZFBSIRYPTVJJIT-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028756018 721937803 /nfs/dbraw/zinc/93/78/03/721937803.db2.gz ZFBSIRYPTVJJIT-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028756018 721937804 /nfs/dbraw/zinc/93/78/04/721937804.db2.gz ZFBSIRYPTVJJIT-MJGOQNOKSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028801669 722005058 /nfs/dbraw/zinc/00/50/58/722005058.db2.gz BFTKWCKMSIFLNG-IBGZPJMESA-N 2 1 343.515 2.809 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805629 722008616 /nfs/dbraw/zinc/00/86/16/722008616.db2.gz RKNXQYGXUBYBMV-QGZVFWFLSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805629 722008619 /nfs/dbraw/zinc/00/86/19/722008619.db2.gz RKNXQYGXUBYBMV-QGZVFWFLSA-N 2 1 349.906 2.595 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872611 722064484 /nfs/dbraw/zinc/06/44/84/722064484.db2.gz HGDSFUZKBQGBQN-MRXNPFEDSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872611 722064485 /nfs/dbraw/zinc/06/44/85/722064485.db2.gz HGDSFUZKBQGBQN-MRXNPFEDSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004836 722623375 /nfs/dbraw/zinc/62/33/75/722623375.db2.gz JQZBGGNAAYPCJY-OAHLLOKOSA-N 2 1 335.879 2.552 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004836 722623376 /nfs/dbraw/zinc/62/33/76/722623376.db2.gz JQZBGGNAAYPCJY-OAHLLOKOSA-N 2 1 335.879 2.552 20 30 EFEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237200791 723252878 /nfs/dbraw/zinc/25/28/78/723252878.db2.gz DETUOZPADHMJJZ-INIZCTEOSA-N 2 1 331.460 2.568 20 30 EFEDMP N#CCCOCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000339058551 723309080 /nfs/dbraw/zinc/30/90/80/723309080.db2.gz VAWPDJNIBFTRFT-UHFFFAOYSA-N 2 1 327.472 2.905 20 30 EFEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800797 724895316 /nfs/dbraw/zinc/89/53/16/724895316.db2.gz OZVRUXDYFFESHB-GOSISDBHSA-N 2 1 349.906 2.965 20 30 EFEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800797 724895317 /nfs/dbraw/zinc/89/53/17/724895317.db2.gz OZVRUXDYFFESHB-GOSISDBHSA-N 2 1 349.906 2.965 20 30 EFEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009024 725459857 /nfs/dbraw/zinc/45/98/57/725459857.db2.gz FIOLDUJAUATEAY-WSTZPKSXSA-N 2 1 331.504 2.550 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009493 725460132 /nfs/dbraw/zinc/46/01/32/725460132.db2.gz HPOYLDDJLOIEPD-QKNQBKEWSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009496 725460234 /nfs/dbraw/zinc/46/02/34/725460234.db2.gz HPOYLDDJLOIEPD-SFHLNBCPSA-N 2 1 345.531 2.940 20 30 EFEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992146561 725562683 /nfs/dbraw/zinc/56/26/83/725562683.db2.gz HKQIJDVKDILVOZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992146561 725562684 /nfs/dbraw/zinc/56/26/84/725562684.db2.gz HKQIJDVKDILVOZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992146561 725562686 /nfs/dbraw/zinc/56/26/86/725562686.db2.gz HKQIJDVKDILVOZ-WSTZPKSXSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276878 725666148 /nfs/dbraw/zinc/66/61/48/725666148.db2.gz BQULCIAQJKUUJS-FUHWJXTLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276878 725666149 /nfs/dbraw/zinc/66/61/49/725666149.db2.gz BQULCIAQJKUUJS-FUHWJXTLSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355529 725742148 /nfs/dbraw/zinc/74/21/48/725742148.db2.gz XNWLVKVUEYMSTE-AZUAARDMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355529 725742151 /nfs/dbraw/zinc/74/21/51/725742151.db2.gz XNWLVKVUEYMSTE-AZUAARDMSA-N 2 1 333.520 2.798 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992815741 726252870 /nfs/dbraw/zinc/25/28/70/726252870.db2.gz KRNLMYZCFHKDGM-KZNAEPCWSA-N 2 1 333.520 2.511 20 30 EFEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992825139 726272062 /nfs/dbraw/zinc/27/20/62/726272062.db2.gz RPGVHORMTLSAIQ-KZNAEPCWSA-N 2 1 344.503 2.799 20 30 EFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391573 727193931 /nfs/dbraw/zinc/19/39/31/727193931.db2.gz GWDOUFQDWGEQOT-GDBMZVCRSA-N 2 1 335.517 2.969 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391573 727193933 /nfs/dbraw/zinc/19/39/33/727193933.db2.gz GWDOUFQDWGEQOT-GDBMZVCRSA-N 2 1 335.517 2.969 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480557 727288532 /nfs/dbraw/zinc/28/85/32/727288532.db2.gz PNMYJCWKHZEQTB-QZTJIDSGSA-N 2 1 333.520 2.798 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993621307 727329238 /nfs/dbraw/zinc/32/92/38/727329238.db2.gz JTXYFFLMQPUUEC-VQIMIIECSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993621303 727329352 /nfs/dbraw/zinc/32/93/52/727329352.db2.gz JTXYFFLMQPUUEC-LPHOPBHVSA-N 2 1 329.488 2.559 20 30 EFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630182 727348604 /nfs/dbraw/zinc/34/86/04/727348604.db2.gz KLNDHFGPJHOZAJ-PXNSSMCTSA-N 2 1 343.515 2.950 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811540 727528000 /nfs/dbraw/zinc/52/80/00/727528000.db2.gz ZJYFEYZCGJRWDF-FXAWDEMLSA-N 2 1 343.515 2.950 20 30 EFEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993825291 727531331 /nfs/dbraw/zinc/53/13/31/727531331.db2.gz NHZGJMZEUGXHDI-APWZRJJASA-N 2 1 329.488 2.559 20 30 EFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993906780 727557886 /nfs/dbraw/zinc/55/78/86/727557886.db2.gz SHDHBWKZJGIJTD-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993906780 727557889 /nfs/dbraw/zinc/55/78/89/727557889.db2.gz SHDHBWKZJGIJTD-IRXDYDNUSA-N 2 1 332.492 2.942 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007547 727579183 /nfs/dbraw/zinc/57/91/83/727579183.db2.gz PMIJKUVITKADQR-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203254 727622270 /nfs/dbraw/zinc/62/22/70/727622270.db2.gz KSLOOBPBRXTSSP-APWZRJJASA-N 2 1 333.520 2.654 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203257 727622480 /nfs/dbraw/zinc/62/24/80/727622480.db2.gz KSLOOBPBRXTSSP-QFBILLFUSA-N 2 1 333.520 2.654 20 30 EFEDMP COc1ccc(CCNC(NC[C@H](C)[NH+](C)C)=[NH+]C(C)(C)C)cc1 ZINC000912509812 727719568 /nfs/dbraw/zinc/71/95/68/727719568.db2.gz SKISFFKQLREDGD-HNNXBMFYSA-N 2 1 334.508 2.522 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994463813 727760807 /nfs/dbraw/zinc/76/08/07/727760807.db2.gz MKXFQWXCLGOGJL-VQIMIIECSA-N 2 1 329.488 2.907 20 30 EFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994463812 727760846 /nfs/dbraw/zinc/76/08/46/727760846.db2.gz MKXFQWXCLGOGJL-QFBILLFUSA-N 2 1 329.488 2.907 20 30 EFEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994471528 727762378 /nfs/dbraw/zinc/76/23/78/727762378.db2.gz LGFOVAHEIDDLTM-DOTOQJQBSA-N 2 1 333.476 2.890 20 30 EFEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000917069052 727763875 /nfs/dbraw/zinc/76/38/75/727763875.db2.gz FHACOPDMKJYJPZ-UHFFFAOYSA-N 2 1 343.515 2.972 20 30 EFEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994474026 727764041 /nfs/dbraw/zinc/76/40/41/727764041.db2.gz OYCATADSVIVCEB-WMZOPIPTSA-N 2 1 345.487 2.727 20 30 EFEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994474026 727764042 /nfs/dbraw/zinc/76/40/42/727764042.db2.gz OYCATADSVIVCEB-WMZOPIPTSA-N 2 1 345.487 2.727 20 30 EFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493679 727770726 /nfs/dbraw/zinc/77/07/26/727770726.db2.gz FCIVEUSHRQDTFL-PXNSSMCTSA-N 2 1 347.547 2.737 20 30 EFEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817929 727792842 /nfs/dbraw/zinc/79/28/42/727792842.db2.gz XLDCKYXGHQCKHF-LJQANCHMSA-N 2 1 347.547 2.999 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991468470 727877826 /nfs/dbraw/zinc/87/78/26/727877826.db2.gz CDIUPGBPIMTEJP-UYAOXDASSA-N 2 1 338.455 2.946 20 30 EFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000157390508 728142562 /nfs/dbraw/zinc/14/25/62/728142562.db2.gz VVHYWKIWQTWXSC-OAHLLOKOSA-N 2 1 348.491 2.798 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865006 728288304 /nfs/dbraw/zinc/28/83/04/728288304.db2.gz QRRBGGHZNOJXFH-HNNXBMFYSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865006 728288306 /nfs/dbraw/zinc/28/83/06/728288306.db2.gz QRRBGGHZNOJXFH-HNNXBMFYSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865008 728288372 /nfs/dbraw/zinc/28/83/72/728288372.db2.gz QRRBGGHZNOJXFH-OAHLLOKOSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865008 728288376 /nfs/dbraw/zinc/28/83/76/728288376.db2.gz QRRBGGHZNOJXFH-OAHLLOKOSA-N 2 1 339.911 2.584 20 30 EFEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102492 728297714 /nfs/dbraw/zinc/29/77/14/728297714.db2.gz ZNVMWIKUAKEJEQ-ZBFHGGJFSA-N 2 1 335.517 2.826 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771179 728309241 /nfs/dbraw/zinc/30/92/41/728309241.db2.gz HLVXKXRFAHNMJB-LSDHHAIUSA-N 2 1 338.883 2.728 20 30 EFEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205686 728366317 /nfs/dbraw/zinc/36/63/17/728366317.db2.gz VQLVWXJAVRFECW-KBXCAEBGSA-N 2 1 326.444 2.659 20 30 EFEDMP C=C(Cl)CN1CC[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](C)C1 ZINC000942285943 728390175 /nfs/dbraw/zinc/39/01/75/728390175.db2.gz GIHOVRCUJIQKNL-BLLLJJGKSA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)CN1CC[C@H](NC(=O)c2ccn3cncc3c2)[C@H](C)C1 ZINC000942285949 728390268 /nfs/dbraw/zinc/39/02/68/728390268.db2.gz GIHOVRCUJIQKNL-WBMJQRKESA-N 2 1 332.835 2.527 20 30 EFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991861680 728490226 /nfs/dbraw/zinc/49/02/26/728490226.db2.gz NFPGWOQMERFRSM-WMZOPIPTSA-N 2 1 344.846 2.814 20 30 EFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991861680 728490227 /nfs/dbraw/zinc/49/02/27/728490227.db2.gz NFPGWOQMERFRSM-WMZOPIPTSA-N 2 1 344.846 2.814 20 30 EFEDMP