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@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104288346 733739423 /nfs/dbraw/zinc/73/94/23/733739423.db2.gz WBZAKMJOSBXTTH-HUUCEWRRSA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC000970792644 733943540 /nfs/dbraw/zinc/94/35/40/733943540.db2.gz QYOUGDOPWZKVIT-IAGOWNOFSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211278147 734245608 /nfs/dbraw/zinc/24/56/08/734245608.db2.gz PYGPVMXUNLQYCO-CVEARBPZSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC000999846725 744939252 /nfs/dbraw/zinc/93/92/52/744939252.db2.gz FWIBNLPEIWSSOZ-OAHLLOKOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC000999846725 744939254 /nfs/dbraw/zinc/93/92/54/744939254.db2.gz FWIBNLPEIWSSOZ-OAHLLOKOSA-N 1 3 346.475 0.143 20 30 ECEDHO CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262471583 747651921 /nfs/dbraw/zinc/65/19/21/747651921.db2.gz PBZMKIQPNFEYAF-CQSZACIVSA-N 1 3 345.513 0.061 20 30 ECEDHO C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCC[C@H](C)C1 ZINC000303908244 748177556 /nfs/dbraw/zinc/17/75/56/748177556.db2.gz XJILRHSWMVZYTM-JKSUJKDBSA-N 1 3 325.501 0.733 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@H](CC)C(N)=O)CC2)CC1 ZINC000985804494 749141321 /nfs/dbraw/zinc/14/13/21/749141321.db2.gz QJEXPYLQWSRWDZ-QGZVFWFLSA-N 1 3 348.491 0.518 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)CC1 ZINC000985804494 749141325 /nfs/dbraw/zinc/14/13/25/749141325.db2.gz QJEXPYLQWSRWDZ-QGZVFWFLSA-N 1 3 348.491 0.518 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC2)CC1 ZINC000985804492 749141394 /nfs/dbraw/zinc/14/13/94/749141394.db2.gz QJEXPYLQWSRWDZ-KRWDZBQOSA-N 1 3 348.491 0.518 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)CC1 ZINC000985804492 749141399 /nfs/dbraw/zinc/14/13/99/749141399.db2.gz QJEXPYLQWSRWDZ-KRWDZBQOSA-N 1 3 348.491 0.518 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC000987574684 750977161 /nfs/dbraw/zinc/97/71/61/750977161.db2.gz GPBUCODDAMLUJP-DOTOQJQBSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001021089309 752529120 /nfs/dbraw/zinc/52/91/20/752529120.db2.gz DFPLIVPKRKJYLH-IYARVYRRSA-N 1 3 343.475 0.545 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001021090577 752531785 /nfs/dbraw/zinc/53/17/85/752531785.db2.gz ZODREAPUTXGTEH-QAQDUYKDSA-N 1 3 343.475 0.545 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000261712164 752698105 /nfs/dbraw/zinc/69/81/05/752698105.db2.gz VKTJSTUTRYVFQD-OAGGEKHMSA-N 1 3 338.496 0.943 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372621 753671986 /nfs/dbraw/zinc/67/19/86/753671986.db2.gz PWWOZQZDURFJHS-CQSZACIVSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372621 753671989 /nfs/dbraw/zinc/67/19/89/753671989.db2.gz PWWOZQZDURFJHS-CQSZACIVSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345315 754763293 /nfs/dbraw/zinc/76/32/93/754763293.db2.gz PDZSVBPUNFCFQB-HNNXBMFYSA-N 1 3 338.496 0.893 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001076917667 757590350 /nfs/dbraw/zinc/59/03/50/757590350.db2.gz QIQNPFBHDHDJDJ-DOTOQJQBSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001076917667 757590354 /nfs/dbraw/zinc/59/03/54/757590354.db2.gz QIQNPFBHDHDJDJ-DOTOQJQBSA-N 1 3 348.491 0.294 20 30 ECEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014071 757941116 /nfs/dbraw/zinc/94/11/16/757941116.db2.gz AXKFRTVCYPZYTM-HZPDHXFCSA-N 1 3 335.452 0.186 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)CC1 ZINC001032207395 759642909 /nfs/dbraw/zinc/64/29/09/759642909.db2.gz PCWPFKXVWQHJMQ-MRXNPFEDSA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CC1 ZINC001048589981 760766610 /nfs/dbraw/zinc/76/66/10/760766610.db2.gz GKPUTONUIODCQL-ACHSLPGTSA-N 1 3 346.475 0.176 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)CC1 ZINC001048589981 760766612 /nfs/dbraw/zinc/76/66/12/760766612.db2.gz GKPUTONUIODCQL-ACHSLPGTSA-N 1 3 346.475 0.176 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001046034708 766716617 /nfs/dbraw/zinc/71/66/17/766716617.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034708 766716623 /nfs/dbraw/zinc/71/66/23/766716623.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035028 766717291 /nfs/dbraw/zinc/71/72/91/766717291.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035028 766717297 /nfs/dbraw/zinc/71/72/97/766717297.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741504 766829235 /nfs/dbraw/zinc/82/92/35/766829235.db2.gz YEPURBYMIDPPOF-ZEVUXNIQSA-N 1 3 343.471 0.844 20 30 ECEDHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741501 766829266 /nfs/dbraw/zinc/82/92/66/766829266.db2.gz YEPURBYMIDPPOF-ASPXRTSYSA-N 1 3 343.471 0.844 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075918 766900479 /nfs/dbraw/zinc/90/04/79/766900479.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075918 766900485 /nfs/dbraw/zinc/90/04/85/766900485.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522763 /nfs/dbraw/zinc/52/27/63/790522763.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 1 3 332.452 0.538 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522768 /nfs/dbraw/zinc/52/27/68/790522768.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 1 3 332.452 0.538 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070657765 784510916 /nfs/dbraw/zinc/51/09/16/784510916.db2.gz JOZJUFICMVWFKF-INMHGKMJSA-N 1 3 331.464 0.524 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603928 786755683 /nfs/dbraw/zinc/75/56/83/786755683.db2.gz SBLZFPMYXDMWPZ-MRXNPFEDSA-N 1 3 347.463 0.289 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001074852959 788439095 /nfs/dbraw/zinc/43/90/95/788439095.db2.gz HIUYXWYOXXJBEO-XIRDDKMYSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781825 /nfs/dbraw/zinc/78/18/25/837781825.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 1 3 336.480 0.459 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781829 /nfs/dbraw/zinc/78/18/29/837781829.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 1 3 336.480 0.459 20 30 ECEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266370888 835784207 /nfs/dbraw/zinc/78/42/07/835784207.db2.gz NGVDKVSOGHAIED-MSOLQXFVSA-N 1 3 345.487 0.949 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000274808766 436876247 /nfs/dbraw/zinc/87/62/47/436876247.db2.gz UYYWERXOLQZOLM-MRXNPFEDSA-N 1 3 346.479 0.807 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000264249794 437018246 /nfs/dbraw/zinc/01/82/46/437018246.db2.gz GTSMVQFXOMFXRI-QGZVFWFLSA-N 1 3 343.475 0.960 20 30 ECEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCN(C)C2)CC1 ZINC000304748158 437160739 /nfs/dbraw/zinc/16/07/39/437160739.db2.gz GXIUQPSTSPYZNY-ZDUSSCGKSA-N 1 3 325.457 0.853 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000343737045 437642020 /nfs/dbraw/zinc/64/20/20/437642020.db2.gz HOQQCCURMGKECR-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000343737045 437642024 /nfs/dbraw/zinc/64/20/24/437642024.db2.gz HOQQCCURMGKECR-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478163 437657215 /nfs/dbraw/zinc/65/72/15/437657215.db2.gz AENGIXGRRBTQCH-CVEARBPZSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478163 437657217 /nfs/dbraw/zinc/65/72/17/437657217.db2.gz AENGIXGRRBTQCH-CVEARBPZSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000355857789 437735458 /nfs/dbraw/zinc/73/54/58/437735458.db2.gz AXWGJFAWEXSPMO-UHFFFAOYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340831184 437748968 /nfs/dbraw/zinc/74/89/68/437748968.db2.gz SYUKZGNKBPDORA-IAGOWNOFSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340831184 437748969 /nfs/dbraw/zinc/74/89/69/437748969.db2.gz SYUKZGNKBPDORA-IAGOWNOFSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419727548 438369008 /nfs/dbraw/zinc/36/90/08/438369008.db2.gz LQXMTGNBDAVEBI-ZBFHGGJFSA-N 1 3 336.480 0.729 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419737390 438369877 /nfs/dbraw/zinc/36/98/77/438369877.db2.gz XYGRQFQASXRPAG-ZBFHGGJFSA-N 1 3 336.480 0.871 20 30 ECEDHO CN(CCC#N)C[C@H](O)CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000518172000 438988774 /nfs/dbraw/zinc/98/87/74/438988774.db2.gz LPGPGOIECNMUQW-RBUKOAKNSA-N 1 3 346.475 0.549 20 30 ECEDHO CN(CCC#N)C[C@H](O)CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000518172000 438988780 /nfs/dbraw/zinc/98/87/80/438988780.db2.gz LPGPGOIECNMUQW-RBUKOAKNSA-N 1 3 346.475 0.549 20 30 ECEDHO C#CCNC(=O)CCN(C)[C@H]1CCC[N@H+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380199 /nfs/dbraw/zinc/38/01/99/439380199.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 1 3 346.475 0.052 20 30 ECEDHO C#CCNC(=O)CCN(C)[C@H]1CCC[N@@H+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380202 /nfs/dbraw/zinc/38/02/02/439380202.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 1 3 346.475 0.052 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735981 439455539 /nfs/dbraw/zinc/45/55/39/439455539.db2.gz CHQLYRVVWYQMIB-AJNGGQMLSA-N 1 3 338.452 0.605 20 30 ECEDHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594435899 439559897 /nfs/dbraw/zinc/55/98/97/439559897.db2.gz AUROSPMDENBEMQ-OAHLLOKOSA-N 1 3 337.468 0.410 20 30 ECEDHO C=C(CNC(=O)[C@H](C(C)C)N(C)C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000620748487 546451367 /nfs/dbraw/zinc/45/13/67/546451367.db2.gz SJDFWEWHIQNOJM-HOTGVXAUSA-N 1 3 340.512 0.947 20 30 ECEDHO N#C[C@H]1CNC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000844195466 589102369 /nfs/dbraw/zinc/10/23/69/589102369.db2.gz UJSHFRCNPCZKLS-DOTOQJQBSA-N 1 3 327.432 0.426 20 30 ECEDHO COCC[NH+]=C(NC[C@@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912505638 609962740 /nfs/dbraw/zinc/96/27/40/609962740.db2.gz BLRNODHZQNQWRN-OAHLLOKOSA-N 1 3 327.517 0.850 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000929565173 611765292 /nfs/dbraw/zinc/76/52/92/611765292.db2.gz QEIQAJLTSFNOSM-MRXNPFEDSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCOCC2)CC1 ZINC001039042900 731975484 /nfs/dbraw/zinc/97/54/84/731975484.db2.gz ZOLCQHCFSSHIHB-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCOCC2)CC1 ZINC001039042900 731975485 /nfs/dbraw/zinc/97/54/85/731975485.db2.gz ZOLCQHCFSSHIHB-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN(C)CCC)C2)C1=O ZINC001210811749 734030199 /nfs/dbraw/zinc/03/01/99/734030199.db2.gz QKENGLGHMLKVRU-JKSUJKDBSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000970919740 734089332 /nfs/dbraw/zinc/08/93/32/734089332.db2.gz FVEKRMJVKGBNEH-JKSUJKDBSA-N 1 3 333.476 0.805 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001023130952 736526495 /nfs/dbraw/zinc/52/64/95/736526495.db2.gz OUWTVPQQWXAPBD-VVLHAWIVSA-N 1 3 348.491 0.885 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003508 743159247 /nfs/dbraw/zinc/15/92/47/743159247.db2.gz MUBPNDXHMWGMFN-IRXDYDNUSA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003508 743159249 /nfs/dbraw/zinc/15/92/49/743159249.db2.gz MUBPNDXHMWGMFN-IRXDYDNUSA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)CC1 ZINC000999870504 744971979 /nfs/dbraw/zinc/97/19/79/744971979.db2.gz MDQRCGZORPNWES-UHFFFAOYSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001000994751 745960303 /nfs/dbraw/zinc/96/03/03/745960303.db2.gz WVTRWNBFPQGXKK-QGZVFWFLSA-N 1 3 346.475 0.145 20 30 ECEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551199 746419910 /nfs/dbraw/zinc/41/99/10/746419910.db2.gz DLCDTOZFSWKEAP-PIMZTRDMSA-N 1 3 331.460 0.720 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551199 746419913 /nfs/dbraw/zinc/41/99/13/746419913.db2.gz DLCDTOZFSWKEAP-PIMZTRDMSA-N 1 3 331.460 0.720 20 30 ECEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047375 747144877 /nfs/dbraw/zinc/14/48/77/747144877.db2.gz VBKJDALHZYHTTP-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047375 747144883 /nfs/dbraw/zinc/14/48/83/747144883.db2.gz VBKJDALHZYHTTP-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001021090442 752529939 /nfs/dbraw/zinc/52/99/39/752529939.db2.gz VOZXQPUXAYVIAX-JPLJXNOCSA-N 1 3 345.487 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001021091970 752532832 /nfs/dbraw/zinc/53/28/32/752532832.db2.gz ADJNEIGRGVZXGA-BRWVUGGUSA-N 1 3 346.475 0.189 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000261712161 752698197 /nfs/dbraw/zinc/69/81/97/752698197.db2.gz VKTJSTUTRYVFQD-BZUAXINKSA-N 1 3 338.496 0.943 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000982685022 753313433 /nfs/dbraw/zinc/31/34/33/753313433.db2.gz ZFGPNYRSOCVGBX-KDURUIRLSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CCO)C[C@]3(C)C2)CC1 ZINC000982832453 753884760 /nfs/dbraw/zinc/88/47/60/753884760.db2.gz ZJHBVLIJVYYHBL-KDURUIRLSA-N 1 3 333.476 0.494 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)CC1 ZINC000982832453 753884767 /nfs/dbraw/zinc/88/47/67/753884767.db2.gz ZJHBVLIJVYYHBL-KDURUIRLSA-N 1 3 333.476 0.494 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661981 755372810 /nfs/dbraw/zinc/37/28/10/755372810.db2.gz LUTLZRMNQUFSIU-ZAWLATJESA-N 1 3 335.492 0.928 20 30 ECEDHO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943841 757479313 /nfs/dbraw/zinc/47/93/13/757479313.db2.gz HSNJIPPYFVVDES-FNYPPERVSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943841 757479318 /nfs/dbraw/zinc/47/93/18/757479318.db2.gz HSNJIPPYFVVDES-FNYPPERVSA-N 1 3 329.444 0.263 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1=O ZINC000996662086 758376745 /nfs/dbraw/zinc/37/67/45/758376745.db2.gz CMAQEEXPJSBCAI-INIZCTEOSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049611043 758990623 /nfs/dbraw/zinc/99/06/23/758990623.db2.gz NWSCUSZNZKDFAQ-VVJOJPPRSA-N 1 3 343.471 0.938 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049611043 758990627 /nfs/dbraw/zinc/99/06/27/758990627.db2.gz NWSCUSZNZKDFAQ-VVJOJPPRSA-N 1 3 343.471 0.938 20 30 ECEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572942 764782394 /nfs/dbraw/zinc/78/23/94/764782394.db2.gz RDIZQVREHFYRDC-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572942 764782401 /nfs/dbraw/zinc/78/24/01/764782401.db2.gz RDIZQVREHFYRDC-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060102 764918534 /nfs/dbraw/zinc/91/85/34/764918534.db2.gz TWBPIBNIDVTZNL-NUJGCVRESA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060102 764918538 /nfs/dbraw/zinc/91/85/38/764918538.db2.gz TWBPIBNIDVTZNL-NUJGCVRESA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337529 766145018 /nfs/dbraw/zinc/14/50/18/766145018.db2.gz RKRDFGPBOOVVDK-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337529 766145022 /nfs/dbraw/zinc/14/50/22/766145022.db2.gz RKRDFGPBOOVVDK-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029978 766696920 /nfs/dbraw/zinc/69/69/20/766696920.db2.gz HDILDOQODPLFLE-ZWKOTPCHSA-N 1 3 330.476 0.180 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018963609 770413628 /nfs/dbraw/zinc/41/36/28/770413628.db2.gz SDYHYBBBUMPHNT-GJZGRUSLSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710539 784580117 /nfs/dbraw/zinc/58/01/17/784580117.db2.gz GBNUSTCSDQIDDA-BZUAXINKSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710539 784580120 /nfs/dbraw/zinc/58/01/20/784580120.db2.gz GBNUSTCSDQIDDA-BZUAXINKSA-N 1 3 329.448 0.279 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)C1=O ZINC001074792925 787825761 /nfs/dbraw/zinc/82/57/61/787825761.db2.gz IEOYOZWIYJGULH-YHUYYLMFSA-N 1 3 334.464 0.447 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)[C@@H]2C)CC1 ZINC001075128599 788946823 /nfs/dbraw/zinc/94/68/23/788946823.db2.gz KXRDCOQCBRYSNS-BHYGNILZSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001075415578 789342841 /nfs/dbraw/zinc/34/28/41/789342841.db2.gz LTUSXKNTRYHBCA-FUHWJXTLSA-N 1 3 330.432 0.961 20 30 ECEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001266536377 835954521 /nfs/dbraw/zinc/95/45/21/835954521.db2.gz UOLIHJKFEWXPSS-CABCVRRESA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H](CC)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267811107 838593133 /nfs/dbraw/zinc/59/31/33/838593133.db2.gz PNWXRRWIOFEEHW-JKSUJKDBSA-N 1 3 348.491 0.886 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC(=O)N2CCCC2)CC1 ZINC001267831707 838625183 /nfs/dbraw/zinc/62/51/83/838625183.db2.gz SKOUSMGPAYLTRQ-KRWDZBQOSA-N 1 3 348.491 0.438 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001299167495 839013295 /nfs/dbraw/zinc/01/32/95/839013295.db2.gz RHVSYOXQVMEKKF-MRXNPFEDSA-N 1 3 346.475 0.048 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001299167495 839013306 /nfs/dbraw/zinc/01/33/06/839013306.db2.gz RHVSYOXQVMEKKF-MRXNPFEDSA-N 1 3 346.475 0.048 20 30 ECEDHO C=CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC=C)CC1 ZINC000276470838 201295106 /nfs/dbraw/zinc/29/51/06/201295106.db2.gz RRJUNYAZWHXMNI-UHFFFAOYSA-N 1 3 336.480 0.673 20 30 ECEDHO C=CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC=C)CC1 ZINC000276470838 201295110 /nfs/dbraw/zinc/29/51/10/201295110.db2.gz RRJUNYAZWHXMNI-UHFFFAOYSA-N 1 3 336.480 0.673 20 30 ECEDHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092803420 436476365 /nfs/dbraw/zinc/47/63/65/436476365.db2.gz SWWDZYNQNMZJHM-UHFFFAOYSA-N 1 3 337.468 0.138 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000343739814 437643175 /nfs/dbraw/zinc/64/31/75/437643175.db2.gz NEIYXXIJAAOYTK-ZBFHGGJFSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000343739814 437643177 /nfs/dbraw/zinc/64/31/77/437643177.db2.gz NEIYXXIJAAOYTK-ZBFHGGJFSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343764514 437649725 /nfs/dbraw/zinc/64/97/25/437649725.db2.gz LUBZGAVDLNHHOQ-CVEARBPZSA-N 1 3 336.480 0.742 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602034228 439002025 /nfs/dbraw/zinc/00/20/25/439002025.db2.gz LTOLNGUDMGJFBX-UHFFFAOYSA-N 1 3 349.410 0.588 20 30 ECEDHO N#Cc1cnn2cc(CNCCCC[N@H+]3CCC[C@H]3CO)cnc12 ZINC000580075412 439061200 /nfs/dbraw/zinc/06/12/00/439061200.db2.gz LXXGDYNYLFEAEO-INIZCTEOSA-N 1 3 328.420 0.927 20 30 ECEDHO N#Cc1cnn2cc(CNCCCC[N@@H+]3CCC[C@H]3CO)cnc12 ZINC000580075412 439061205 /nfs/dbraw/zinc/06/12/05/439061205.db2.gz LXXGDYNYLFEAEO-INIZCTEOSA-N 1 3 328.420 0.927 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000491392146 439376117 /nfs/dbraw/zinc/37/61/17/439376117.db2.gz AFHQAENMYUCLTE-SJORKVTESA-N 1 3 336.480 0.619 20 30 ECEDHO C=CC[C@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000662744376 439867563 /nfs/dbraw/zinc/86/75/63/439867563.db2.gz FWGDQIQNJKCFBP-QGZVFWFLSA-N 1 3 348.451 0.198 20 30 ECEDHO C=CCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662721263 439858381 /nfs/dbraw/zinc/85/83/81/439858381.db2.gz MYYNOVHHHYCGBO-HNNXBMFYSA-N 1 3 332.452 0.973 20 30 ECEDHO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CNC[C@@H]3C#N)cc2)CC1 ZINC000834490541 588903233 /nfs/dbraw/zinc/90/32/33/588903233.db2.gz VRNRKSDQVICABX-DOTOQJQBSA-N 1 3 327.432 0.670 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597731 611359213 /nfs/dbraw/zinc/35/92/13/611359213.db2.gz IAQTZPIANZBULW-MHORFTMASA-N 1 3 331.460 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597731 611359214 /nfs/dbraw/zinc/35/92/14/611359214.db2.gz IAQTZPIANZBULW-MHORFTMASA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000930006118 611378831 /nfs/dbraw/zinc/37/88/31/611378831.db2.gz BTLWAUWKKTWUTB-UHFFFAOYSA-N 1 3 334.464 0.450 20 30 ECEDHO C#CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000927630614 611621003 /nfs/dbraw/zinc/62/10/03/611621003.db2.gz PINNKVUIDJNOBB-SFHVURJKSA-N 1 3 348.491 0.979 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950432143 612016837 /nfs/dbraw/zinc/01/68/37/612016837.db2.gz MXTMEQIMWGAEHU-SJORKVTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950432143 612016838 /nfs/dbraw/zinc/01/68/38/612016838.db2.gz MXTMEQIMWGAEHU-SJORKVTESA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969197601 731584057 /nfs/dbraw/zinc/58/40/57/731584057.db2.gz LEYJBBCRTMLVDO-HZPDHXFCSA-N 1 3 346.475 0.592 20 30 ECEDHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104294651 734020108 /nfs/dbraw/zinc/02/01/08/734020108.db2.gz WFBVCQLYOYXDOE-HUUCEWRRSA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676675 739457802 /nfs/dbraw/zinc/45/78/02/739457802.db2.gz SZDLRCJGFQZRCT-IXDOHACOSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554255 739714246 /nfs/dbraw/zinc/71/42/46/739714246.db2.gz AHFSGCXMKVTIHX-CVEARBPZSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC001026610154 741613098 /nfs/dbraw/zinc/61/30/98/741613098.db2.gz GBHSEQIIYPSNJO-JCYILVPMSA-N 1 3 346.475 0.237 20 30 ECEDHO N#CCN1CCN(C2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000996795686 742877731 /nfs/dbraw/zinc/87/77/31/742877731.db2.gz OWQISLBXGNUZLA-UHFFFAOYSA-N 1 3 345.491 0.651 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997306337 743468767 /nfs/dbraw/zinc/46/87/67/743468767.db2.gz DRWHAGXQDSTMLA-INIZCTEOSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079855 745248723 /nfs/dbraw/zinc/24/87/23/745248723.db2.gz BXVJUTPBTNUGKQ-IRXDYDNUSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001000993687 745958707 /nfs/dbraw/zinc/95/87/07/745958707.db2.gz RQWQLVYRZMFYME-SFHVURJKSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001000994761 745960029 /nfs/dbraw/zinc/96/00/29/745960029.db2.gz WVUMCPCVDJXWLP-IAGOWNOFSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361323 752124470 /nfs/dbraw/zinc/12/44/70/752124470.db2.gz WGPIFNXHOFBSPA-UHFFFAOYSA-N 1 3 344.463 0.813 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332624 747722988 /nfs/dbraw/zinc/72/29/88/747722988.db2.gz RAEKDKARQZNEDN-DLBZAZTESA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332624 747722993 /nfs/dbraw/zinc/72/29/93/747722993.db2.gz RAEKDKARQZNEDN-DLBZAZTESA-N 1 3 348.491 0.790 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105669300 755671476 /nfs/dbraw/zinc/67/14/76/755671476.db2.gz QQBQZIMJFKEZLT-ZAWLATJESA-N 1 3 335.492 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC001032206479 759634017 /nfs/dbraw/zinc/63/40/17/759634017.db2.gz BUAUOHOSOPBXIA-GOSISDBHSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296870 767905211 /nfs/dbraw/zinc/90/52/11/767905211.db2.gz BOJTXVVLUGHWFW-OWCLPIDISA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246864 768010972 /nfs/dbraw/zinc/01/09/72/768010972.db2.gz SNJUDTMHXMFUQI-OWCLPIDISA-N 1 3 348.491 0.293 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281839 768065457 /nfs/dbraw/zinc/06/54/57/768065457.db2.gz GRWRVIVPLHIIHM-INMHGKMJSA-N 1 3 336.480 0.006 20 30 ECEDHO C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384462 764178505 /nfs/dbraw/zinc/17/85/05/764178505.db2.gz SGEHODQZULDUSZ-HOTGVXAUSA-N 1 3 335.452 0.138 20 30 ECEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573526 764783729 /nfs/dbraw/zinc/78/37/29/764783729.db2.gz XVSLKINVPWDLAL-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573526 764783737 /nfs/dbraw/zinc/78/37/37/764783737.db2.gz XVSLKINVPWDLAL-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337535 766144402 /nfs/dbraw/zinc/14/44/02/766144402.db2.gz RKRDFGPBOOVVDK-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337535 766144407 /nfs/dbraw/zinc/14/44/07/766144407.db2.gz RKRDFGPBOOVVDK-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032796 766707312 /nfs/dbraw/zinc/70/73/12/766707312.db2.gz NDNNUONEALBCNJ-FGTMMUONSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032796 766707321 /nfs/dbraw/zinc/70/73/21/766707321.db2.gz NDNNUONEALBCNJ-FGTMMUONSA-N 1 3 332.492 0.568 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474343 771302173 /nfs/dbraw/zinc/30/21/73/771302173.db2.gz LEVPFGPQIWEISN-MRXNPFEDSA-N 1 3 336.480 0.459 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595313 /nfs/dbraw/zinc/59/53/13/790595313.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 1 3 332.452 0.538 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595325 /nfs/dbraw/zinc/59/53/25/790595325.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 1 3 332.452 0.538 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001089 /nfs/dbraw/zinc/00/10/89/787001089.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 1 3 349.475 0.633 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001097 /nfs/dbraw/zinc/00/10/97/787001097.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 1 3 349.475 0.633 20 30 ECEDHO CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741268 787097484 /nfs/dbraw/zinc/09/74/84/787097484.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 1 3 337.464 0.326 20 30 ECEDHO CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741268 787097487 /nfs/dbraw/zinc/09/74/87/787097487.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 1 3 337.464 0.326 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)CC1 ZINC001072680500 788582494 /nfs/dbraw/zinc/58/24/94/788582494.db2.gz WLYRRZJETBDZPD-RDJZCZTQSA-N 1 3 348.491 0.246 20 30 ECEDHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576719 /nfs/dbraw/zinc/57/67/19/837576719.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 1 3 337.468 0.183 20 30 ECEDHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576725 /nfs/dbraw/zinc/57/67/25/837576725.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 1 3 337.468 0.183 20 30 ECEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001266798846 836320320 /nfs/dbraw/zinc/32/03/20/836320320.db2.gz WIRWGKPELPTWGN-HNNXBMFYSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267002212 836595313 /nfs/dbraw/zinc/59/53/13/836595313.db2.gz GSHXOXOWKTVFPZ-IAGOWNOFSA-N 1 3 348.491 0.438 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCn2cccn2)CC1 ZINC001267257295 837083078 /nfs/dbraw/zinc/08/30/78/837083078.db2.gz USSHDRZAHXQVHM-UHFFFAOYSA-N 1 3 331.464 0.666 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCn2cccn2)CC1 ZINC001267257295 837083089 /nfs/dbraw/zinc/08/30/89/837083089.db2.gz USSHDRZAHXQVHM-UHFFFAOYSA-N 1 3 331.464 0.666 20 30 ECEDHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(=O)NCC#N)CCCC2)CC[N@@H+]1C ZINC001267842522 838640234 /nfs/dbraw/zinc/64/02/34/838640234.db2.gz XCZLAUQQGYNMAB-GJZGRUSLSA-N 1 3 349.479 0.375 20 30 ECEDHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(=O)NCC#N)CCCC2)CC[N@H+]1C ZINC001267842522 838640238 /nfs/dbraw/zinc/64/02/38/838640238.db2.gz XCZLAUQQGYNMAB-GJZGRUSLSA-N 1 3 349.479 0.375 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000343898046 254690967 /nfs/dbraw/zinc/69/09/67/254690967.db2.gz ZDXLNAKWZXQAGC-OAHLLOKOSA-N 1 3 338.496 0.990 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(OC)cc1 ZINC000264083182 437017191 /nfs/dbraw/zinc/01/71/91/437017191.db2.gz IDXMCUVUFWHTMA-HNNXBMFYSA-N 1 3 347.463 0.814 20 30 ECEDHO CN(CCCN(C)CC(=O)NCc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289443176 437411747 /nfs/dbraw/zinc/41/17/47/437411747.db2.gz OPDHPIQSXJDXOH-UHFFFAOYSA-N 1 3 345.491 0.990 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000339613359 437479284 /nfs/dbraw/zinc/47/92/84/437479284.db2.gz HVQTZLVNDQRKBI-UHFFFAOYSA-N 1 3 338.496 0.988 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419722656 438370526 /nfs/dbraw/zinc/37/05/26/438370526.db2.gz FDEWQLAOQCDFTI-UHFFFAOYSA-N 1 3 336.480 0.921 20 30 ECEDHO CC1CC[NH+](C[C@H](O)CNC[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498629 439147189 /nfs/dbraw/zinc/14/71/89/439147189.db2.gz HWMDUAFDYJJHKO-GDBMZVCRSA-N 1 3 332.452 0.479 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)CC1 ZINC000490627626 439281099 /nfs/dbraw/zinc/28/10/99/439281099.db2.gz DGMWWDIIEHEFLT-SFHVURJKSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000491671251 439423788 /nfs/dbraw/zinc/42/37/88/439423788.db2.gz QABHDYUJLNKNEM-CYBMUJFWSA-N 1 3 349.401 0.077 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621846257 546576493 /nfs/dbraw/zinc/57/64/93/546576493.db2.gz YQSSKFDXECGSTI-KDOFPFPSSA-N 1 3 334.464 0.483 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000668836196 547763284 /nfs/dbraw/zinc/76/32/84/547763284.db2.gz SOMMRIVSITYHHG-MRXNPFEDSA-N 1 3 336.480 0.696 20 30 ECEDHO C(CN1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1)N1CCOCC1 ZINC000753933972 579409462 /nfs/dbraw/zinc/40/94/62/579409462.db2.gz DTQLGMKCUYUFCJ-CALCHBBNSA-N 1 3 348.495 0.630 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000876841250 590418299 /nfs/dbraw/zinc/41/82/99/590418299.db2.gz NRIWAMTVZINXLP-VHSXEESVSA-N 1 3 328.766 0.409 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199329 590771870 /nfs/dbraw/zinc/77/18/70/590771870.db2.gz WPZBPMWVNIKHPZ-MSOLQXFVSA-N 1 3 349.523 0.657 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884642315 590882018 /nfs/dbraw/zinc/88/20/18/590882018.db2.gz GLFOAFWHXPFKAQ-SHTZXODSSA-N 1 3 336.480 0.777 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000884642372 590882040 /nfs/dbraw/zinc/88/20/40/590882040.db2.gz HMKSCAPSGGQFRL-UHFFFAOYSA-N 1 3 336.480 0.873 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690422 611415708 /nfs/dbraw/zinc/41/57/08/611415708.db2.gz QFQWTQSOTKBQQY-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690422 611415711 /nfs/dbraw/zinc/41/57/11/611415711.db2.gz QFQWTQSOTKBQQY-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC#CCN(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523716 609684167 /nfs/dbraw/zinc/68/41/67/609684167.db2.gz JRMRICWJSJMGPB-QZTJIDSGSA-N 1 3 345.491 0.915 20 30 ECEDHO CC(C)[N@H+]1CC[C@@H](C(=O)NCC#CCN(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523716 609684168 /nfs/dbraw/zinc/68/41/68/609684168.db2.gz JRMRICWJSJMGPB-QZTJIDSGSA-N 1 3 345.491 0.915 20 30 ECEDHO C#CCN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841132 609951135 /nfs/dbraw/zinc/95/11/35/609951135.db2.gz BFIDFCUEVBNXER-SJORKVTESA-N 1 3 334.464 0.589 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000940462056 610288942 /nfs/dbraw/zinc/28/89/42/610288942.db2.gz YLOGFTXOELBDLG-MRXNPFEDSA-N 1 3 348.491 0.840 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)CC1 ZINC001083283832 739745572 /nfs/dbraw/zinc/74/55/72/739745572.db2.gz WFMLCBGBEAINLF-ZWKOTPCHSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)CC1 ZINC001083283832 739745579 /nfs/dbraw/zinc/74/55/79/739745579.db2.gz WFMLCBGBEAINLF-ZWKOTPCHSA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026886470 742041982 /nfs/dbraw/zinc/04/19/82/742041982.db2.gz YINYDAAAFFAKOB-HZPDHXFCSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001029003237 743156631 /nfs/dbraw/zinc/15/66/31/743156631.db2.gz JPPKGOIHAFIJJU-INIZCTEOSA-N 1 3 344.463 0.061 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001029003237 743156637 /nfs/dbraw/zinc/15/66/37/743156637.db2.gz JPPKGOIHAFIJJU-INIZCTEOSA-N 1 3 344.463 0.061 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000999869067 744970101 /nfs/dbraw/zinc/97/01/01/744970101.db2.gz DCWRLBRETFNFLL-UHFFFAOYSA-N 1 3 343.475 0.844 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000711749 745715357 /nfs/dbraw/zinc/71/53/57/745715357.db2.gz PPJWYLMIRPOXBG-HZPDHXFCSA-N 1 3 346.475 0.450 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC000984803776 746960152 /nfs/dbraw/zinc/96/01/52/746960152.db2.gz JNAJXOSXXLVBPF-VQHPVUNQSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cncn3C)[C@H]2C)CC1 ZINC000987575283 750977399 /nfs/dbraw/zinc/97/73/99/750977399.db2.gz IXMMFXNSKUVNBQ-QAPCUYQASA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546781 753127609 /nfs/dbraw/zinc/12/76/09/753127609.db2.gz FGKYOUXDCGFTRC-NXHRZFHOSA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC000982639875 753192260 /nfs/dbraw/zinc/19/22/60/753192260.db2.gz BPUVWRYSTYCYPN-KDURUIRLSA-N 1 3 343.475 0.862 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000989828495 754497557 /nfs/dbraw/zinc/49/75/57/754497557.db2.gz DSSVWXKXYRSSEB-DOTOQJQBSA-N 1 3 343.475 0.844 20 30 ECEDHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168344922 754760893 /nfs/dbraw/zinc/76/08/93/754760893.db2.gz FKPVMLMYPIFPNK-OAHLLOKOSA-N 1 3 349.479 0.377 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC(=C)C)C[C@@H]2O)CC1 ZINC001047638112 759371394 /nfs/dbraw/zinc/37/13/94/759371394.db2.gz BZUVZWBRNJSBHU-ROUUACIJSA-N 1 3 333.476 0.801 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC(=C)C)C[C@@H]2O)CC1 ZINC001047638112 759371404 /nfs/dbraw/zinc/37/14/04/759371404.db2.gz BZUVZWBRNJSBHU-ROUUACIJSA-N 1 3 333.476 0.801 20 30 ECEDHO C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598445 760551671 /nfs/dbraw/zinc/55/16/71/760551671.db2.gz GNLMFOXTMRFVBX-KOHRHEQBSA-N 1 3 329.444 0.407 20 30 ECEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001048546600 760695227 /nfs/dbraw/zinc/69/52/27/760695227.db2.gz FMHMTINRRFZYFC-BGAMWXSISA-N 1 3 343.471 0.842 20 30 ECEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001048546600 760695233 /nfs/dbraw/zinc/69/52/33/760695233.db2.gz FMHMTINRRFZYFC-BGAMWXSISA-N 1 3 343.471 0.842 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850009 763228567 /nfs/dbraw/zinc/22/85/67/763228567.db2.gz NHRKFENCDGKRCA-VQIMIIECSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850009 763228575 /nfs/dbraw/zinc/22/85/75/763228575.db2.gz NHRKFENCDGKRCA-VQIMIIECSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046895723 763327621 /nfs/dbraw/zinc/32/76/21/763327621.db2.gz ABOVJOSBLHNGOP-MAUKXSAKSA-N 1 3 345.447 0.567 20 30 ECEDHO C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384233 764178495 /nfs/dbraw/zinc/17/84/95/764178495.db2.gz NUCBKMIYFPKBER-IRXDYDNUSA-N 1 3 349.479 0.528 20 30 ECEDHO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001047453420 764395912 /nfs/dbraw/zinc/39/59/12/764395912.db2.gz XKSQLERRBLKZOE-IRXDYDNUSA-N 1 3 339.399 0.408 20 30 ECEDHO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001047453420 764395920 /nfs/dbraw/zinc/39/59/20/764395920.db2.gz XKSQLERRBLKZOE-IRXDYDNUSA-N 1 3 339.399 0.408 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054257 766798978 /nfs/dbraw/zinc/79/89/78/766798978.db2.gz KCVUMXIBNPGDJS-BZSNNMDCSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054257 766798988 /nfs/dbraw/zinc/79/89/88/766798988.db2.gz KCVUMXIBNPGDJS-BZSNNMDCSA-N 1 3 332.492 0.568 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046057982 766816334 /nfs/dbraw/zinc/81/63/34/766816334.db2.gz BLJWHGWICRHRQD-SFHVURJKSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064357 766843398 /nfs/dbraw/zinc/84/33/98/766843398.db2.gz LMWXOFJDAYOZCC-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064357 766843410 /nfs/dbraw/zinc/84/34/10/766843410.db2.gz LMWXOFJDAYOZCC-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069797 766869159 /nfs/dbraw/zinc/86/91/59/766869159.db2.gz JADFLBBQRDIPSR-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207699 783659142 /nfs/dbraw/zinc/65/91/42/783659142.db2.gz JYRUVXIMACYSEP-BBWFWOEESA-N 1 3 346.479 0.784 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207699 783659148 /nfs/dbraw/zinc/65/91/48/783659148.db2.gz JYRUVXIMACYSEP-BBWFWOEESA-N 1 3 346.479 0.784 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070264654 783766820 /nfs/dbraw/zinc/76/68/20/783766820.db2.gz YSEDPUZCXSSUES-JONQDZQNSA-N 1 3 332.452 0.536 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070264654 783766823 /nfs/dbraw/zinc/76/68/23/783766823.db2.gz YSEDPUZCXSSUES-JONQDZQNSA-N 1 3 332.452 0.536 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709873 787018100 /nfs/dbraw/zinc/01/81/00/787018100.db2.gz KRLXDWKZPLKSJE-VIHIWDAPSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709873 787018111 /nfs/dbraw/zinc/01/81/11/787018111.db2.gz KRLXDWKZPLKSJE-VIHIWDAPSA-N 1 3 347.459 0.080 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)[C@H]2C)C1=O ZINC001074885399 788486747 /nfs/dbraw/zinc/48/67/47/788486747.db2.gz BEBHGUQELSPDBI-VGWMRTNUSA-N 1 3 336.480 0.693 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)CC1 ZINC001072680498 788582224 /nfs/dbraw/zinc/58/22/24/788582224.db2.gz WLYRRZJETBDZPD-DOTOQJQBSA-N 1 3 348.491 0.246 20 30 ECEDHO C#CCN1CCC(C(=O)NCCN2CC[NH+](CC(C)C)CC2)CC1 ZINC001266297417 835646810 /nfs/dbraw/zinc/64/68/10/835646810.db2.gz PRMJAYCTUDUOSD-UHFFFAOYSA-N 1 3 334.508 0.721 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCn2nc(C)cc2C)CC1 ZINC001266996013 836581070 /nfs/dbraw/zinc/58/10/70/836581070.db2.gz XPHVCENAGNSTCK-MRXNPFEDSA-N 1 3 345.491 0.939 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267012602 836613872 /nfs/dbraw/zinc/61/38/72/836613872.db2.gz VJYLRSFWNGVEJD-CVEARBPZSA-N 1 3 346.475 0.191 20 30 ECEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267955123 838857937 /nfs/dbraw/zinc/85/79/37/838857937.db2.gz JPHBZOCDCGZABI-CABCVRRESA-N 1 3 335.452 0.080 20 30 ECEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267955123 838857950 /nfs/dbraw/zinc/85/79/50/838857950.db2.gz JPHBZOCDCGZABI-CABCVRRESA-N 1 3 335.452 0.080 20 30 ECEDHO N#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001267970619 838891472 /nfs/dbraw/zinc/89/14/72/838891472.db2.gz WJKHMIDBHZJASK-OAHLLOKOSA-N 1 3 335.452 0.083 20 30 ECEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCN(C)C2)CC1 ZINC000304748157 437160987 /nfs/dbraw/zinc/16/09/87/437160987.db2.gz GXIUQPSTSPYZNY-CYBMUJFWSA-N 1 3 325.457 0.853 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000343739187 437642691 /nfs/dbraw/zinc/64/26/91/437642691.db2.gz LUEVEKGQWWFWCB-BBRMVZONSA-N 1 3 334.464 0.352 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000343737074 437643075 /nfs/dbraw/zinc/64/30/75/437643075.db2.gz HYKURBXDVORABX-DZGCQCFKSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000343754282 437646984 /nfs/dbraw/zinc/64/69/84/437646984.db2.gz CKQCFPWZYYEVFN-AWEZNQCLSA-N 1 3 338.496 0.846 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478164 437658652 /nfs/dbraw/zinc/65/86/52/437658652.db2.gz AENGIXGRRBTQCH-HOTGVXAUSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478164 437658656 /nfs/dbraw/zinc/65/86/56/437658656.db2.gz AENGIXGRRBTQCH-HOTGVXAUSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340826835 437747342 /nfs/dbraw/zinc/74/73/42/437747342.db2.gz OVWNQSQHRHZRCT-HOTGVXAUSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340826835 437747347 /nfs/dbraw/zinc/74/73/47/437747347.db2.gz OVWNQSQHRHZRCT-HOTGVXAUSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419726957 438369713 /nfs/dbraw/zinc/36/97/13/438369713.db2.gz KNZFRNIYNCHWPL-UHFFFAOYSA-N 1 3 344.459 0.741 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000596691408 438990709 /nfs/dbraw/zinc/99/07/09/438990709.db2.gz ZCCMICLGZGQXFG-GOEBONIOSA-N 1 3 325.457 0.318 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000596691408 438990713 /nfs/dbraw/zinc/99/07/13/438990713.db2.gz ZCCMICLGZGQXFG-GOEBONIOSA-N 1 3 325.457 0.318 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000490892049 439306416 /nfs/dbraw/zinc/30/64/16/439306416.db2.gz JJVDPOLTQSASSW-UHFFFAOYSA-N 1 3 349.475 0.723 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000491427911 439382246 /nfs/dbraw/zinc/38/22/46/439382246.db2.gz MMJUVASIEYYYNS-IAGOWNOFSA-N 1 3 336.480 0.869 20 30 ECEDHO CN(CCCN(C)Cc1cnc2c(C#N)cnn2c1)CC[NH+](C)C ZINC000572363935 439576613 /nfs/dbraw/zinc/57/66/13/439576613.db2.gz MATCQOGWOHZLGI-UHFFFAOYSA-N 1 3 329.452 0.916 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656310686 440759668 /nfs/dbraw/zinc/75/96/68/440759668.db2.gz CWPLGJJMZARFRE-IAGOWNOFSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C1[C@@H](C(=O)NCCN(C)C2CC2)[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000900367298 586627710 /nfs/dbraw/zinc/62/77/10/586627710.db2.gz NBIWQQXZQNJFJM-HZPDHXFCSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@@H](C(=O)NCCN(C)C2CC2)[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000900367298 586627711 /nfs/dbraw/zinc/62/77/11/586627711.db2.gz NBIWQQXZQNJFJM-HZPDHXFCSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900592240 586645047 /nfs/dbraw/zinc/64/50/47/586645047.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900592240 586645048 /nfs/dbraw/zinc/64/50/48/586645048.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000900592240 586645049 /nfs/dbraw/zinc/64/50/49/586645049.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000900592240 586645050 /nfs/dbraw/zinc/64/50/50/586645050.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 1 3 334.464 0.209 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000884614462 590872893 /nfs/dbraw/zinc/87/28/93/590872893.db2.gz NURXBODSZYEMBV-ARFHVFGLSA-N 1 3 336.480 0.749 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000930492438 611435171 /nfs/dbraw/zinc/43/51/71/611435171.db2.gz XTFGDLSVFZNWCM-YOEHRIQHSA-N 1 3 346.475 0.141 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911237381 609830285 /nfs/dbraw/zinc/83/02/85/609830285.db2.gz WPDYYCIPSOYISL-CRAIPNDOSA-N 1 3 334.464 0.401 20 30 ECEDHO C#CCN1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000919503283 610046389 /nfs/dbraw/zinc/04/63/89/610046389.db2.gz WEFMHNLPOPKZER-UHFFFAOYSA-N 1 3 335.496 0.411 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000933853078 611753902 /nfs/dbraw/zinc/75/39/02/611753902.db2.gz KODDHNXZJCRMIK-UHFFFAOYSA-N 1 3 348.491 0.391 20 30 ECEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262819302 737307723 /nfs/dbraw/zinc/30/77/23/737307723.db2.gz WRXKIOJXNBNMKA-NVXWUHKLSA-N 1 3 337.537 0.945 20 30 ECEDHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105064467 741273186 /nfs/dbraw/zinc/27/31/86/741273186.db2.gz QBBKDVXTHNAOOZ-HUUCEWRRSA-N 1 3 337.468 0.041 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997040579 743161065 /nfs/dbraw/zinc/16/10/65/743161065.db2.gz HEDWFKONEFBSMY-HNNXBMFYSA-N 1 3 331.420 0.320 20 30 ECEDHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100377799 751941868 /nfs/dbraw/zinc/94/18/68/751941868.db2.gz LSEOQDIHUARMSH-UYSNPLJNSA-N 1 3 327.444 0.801 20 30 ECEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140815 /nfs/dbraw/zinc/14/08/15/747140815.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140820 /nfs/dbraw/zinc/14/08/20/747140820.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332627 747724540 /nfs/dbraw/zinc/72/45/40/747724540.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332627 747724545 /nfs/dbraw/zinc/72/45/45/747724545.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167835127 750466035 /nfs/dbraw/zinc/46/60/35/750466035.db2.gz AYTKCXPQACBJGN-OAHLLOKOSA-N 1 3 338.496 0.895 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000989828528 754497805 /nfs/dbraw/zinc/49/78/05/754497805.db2.gz FDUDYCYASLNWKQ-MAUKXSAKSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@H](CC)C(N)=O)CC2)CC1 ZINC001168320672 754511827 /nfs/dbraw/zinc/51/18/27/754511827.db2.gz JKIGBUXRGGTFRR-MRXNPFEDSA-N 1 3 348.491 0.472 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001048891665 757312788 /nfs/dbraw/zinc/31/27/88/757312788.db2.gz TWDJYTDELDCNOM-YYIAUSFCSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001048891665 757312796 /nfs/dbraw/zinc/31/27/96/757312796.db2.gz TWDJYTDELDCNOM-YYIAUSFCSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1=O ZINC000996711826 758561795 /nfs/dbraw/zinc/56/17/95/758561795.db2.gz LHAVXRMHVLHFPO-JKSUJKDBSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1=O ZINC000996711825 758561899 /nfs/dbraw/zinc/56/18/99/758561899.db2.gz LHAVXRMHVLHFPO-HZPDHXFCSA-N 1 3 336.480 0.694 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127779569 758625503 /nfs/dbraw/zinc/62/55/03/758625503.db2.gz OFMSMSLPAHCPMV-SWLSCSKDSA-N 1 3 334.445 0.689 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779569 758625507 /nfs/dbraw/zinc/62/55/07/758625507.db2.gz OFMSMSLPAHCPMV-SWLSCSKDSA-N 1 3 334.445 0.689 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042671 759503940 /nfs/dbraw/zinc/50/39/40/759503940.db2.gz XOMNZCGRXIWKEU-BZUAXINKSA-N 1 3 338.496 0.701 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050232514 760005470 /nfs/dbraw/zinc/00/54/70/760005470.db2.gz CLWDTZXYDGZUAX-GOEBONIOSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943619 /nfs/dbraw/zinc/94/36/19/764943619.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943623 /nfs/dbraw/zinc/94/36/23/764943623.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054636 766802206 /nfs/dbraw/zinc/80/22/06/766802206.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054636 766802215 /nfs/dbraw/zinc/80/22/15/766802215.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)CC1 ZINC001016985073 767439202 /nfs/dbraw/zinc/43/92/02/767439202.db2.gz JDVGGVWPWYOGGK-QGZVFWFLSA-N 1 3 333.476 0.685 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019230899 771033645 /nfs/dbraw/zinc/03/36/45/771033645.db2.gz AIYPHJBTCSNEHD-HOTGVXAUSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227872 784786924 /nfs/dbraw/zinc/78/69/24/784786924.db2.gz LIOOYOYHCHEKKD-QFBILLFUSA-N 1 3 331.460 0.797 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603969 786754913 /nfs/dbraw/zinc/75/49/13/786754913.db2.gz SWBVYMLKHVDVTQ-INIZCTEOSA-N 1 3 349.479 0.842 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)C1=O ZINC001074687838 787599590 /nfs/dbraw/zinc/59/95/90/787599590.db2.gz WZTFOVZEXQLYKD-BHYGNILZSA-N 1 3 348.491 0.837 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)[C@@H]2C)CC1 ZINC001075129096 788947386 /nfs/dbraw/zinc/94/73/86/788947386.db2.gz WNFHFEUIOFPDOH-BHYGNILZSA-N 1 3 346.475 0.141 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267490069 837555449 /nfs/dbraw/zinc/55/54/49/837555449.db2.gz FNEBGYHGYRAKCN-GDBMZVCRSA-N 1 3 334.464 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC(=O)N(C)CC)C2CC2)CC1 ZINC001266445523 835848223 /nfs/dbraw/zinc/84/82/23/835848223.db2.gz SOYRCWCPDGWWPR-QGZVFWFLSA-N 1 3 348.491 0.294 20 30 ECEDHO C=CCN1CC[C@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266731094 836211240 /nfs/dbraw/zinc/21/12/40/836211240.db2.gz QXFSGNSRXHTIKW-HOTGVXAUSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CCN1CC[C@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001266731094 836211247 /nfs/dbraw/zinc/21/12/47/836211247.db2.gz QXFSGNSRXHTIKW-HOTGVXAUSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876391 836423329 /nfs/dbraw/zinc/42/33/29/836423329.db2.gz LYJONCDEHRNWFL-HZPDHXFCSA-N 1 3 348.491 0.437 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267017144 836627808 /nfs/dbraw/zinc/62/78/08/836627808.db2.gz TTWNYGHXEHWJTO-HOTGVXAUSA-N 1 3 334.464 0.048 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267017144 836627814 /nfs/dbraw/zinc/62/78/14/836627814.db2.gz TTWNYGHXEHWJTO-HOTGVXAUSA-N 1 3 334.464 0.048 20 30 ECEDHO C#CCNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001268034874 839094552 /nfs/dbraw/zinc/09/45/52/839094552.db2.gz QQYBYLMSOOWDIK-INIZCTEOSA-N 1 3 348.491 0.629 20 30 ECEDHO C#CCNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268034874 839094556 /nfs/dbraw/zinc/09/45/56/839094556.db2.gz QQYBYLMSOOWDIK-INIZCTEOSA-N 1 3 348.491 0.629 20 30 ECEDHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419895742 209241956 /nfs/dbraw/zinc/24/19/56/209241956.db2.gz SYCORSGBPWBMDO-UHFFFAOYSA-N 1 3 345.447 0.174 20 30 ECEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249276514 436817256 /nfs/dbraw/zinc/81/72/56/436817256.db2.gz KBSXBWMLAOTSFC-LSDHHAIUSA-N 1 3 340.468 0.725 20 30 ECEDHO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130583130 436839554 /nfs/dbraw/zinc/83/95/54/436839554.db2.gz HROINAUDIDWGRW-UHFFFAOYSA-N 1 3 345.447 0.757 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340507939 437676785 /nfs/dbraw/zinc/67/67/85/437676785.db2.gz HGLCYXPTCWWRBB-CQSZACIVSA-N 1 3 334.464 0.354 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340507939 437676790 /nfs/dbraw/zinc/67/67/90/437676790.db2.gz HGLCYXPTCWWRBB-CQSZACIVSA-N 1 3 334.464 0.354 20 30 ECEDHO C#CCN1CCC(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000365884235 437985080 /nfs/dbraw/zinc/98/50/80/437985080.db2.gz SQULBLUZDJFNLH-UHFFFAOYSA-N 1 3 329.448 1.434 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419734058 438368665 /nfs/dbraw/zinc/36/86/65/438368665.db2.gz UVCLTNSYCQMDMN-INIZCTEOSA-N 1 3 338.496 0.975 20 30 ECEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423078978 438635818 /nfs/dbraw/zinc/63/58/18/438635818.db2.gz XCHIKRLKCQUYEB-INIZCTEOSA-N 1 3 343.431 0.008 20 30 ECEDHO C=CC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000662716711 439857401 /nfs/dbraw/zinc/85/74/01/439857401.db2.gz VSLVPGAZAWZVNL-GOSISDBHSA-N 1 3 334.464 0.451 20 30 ECEDHO C#CCN1CCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799178196 578660618 /nfs/dbraw/zinc/66/06/18/578660618.db2.gz HNEPEVADXFZJAH-UHFFFAOYSA-N 1 3 332.492 0.572 20 30 ECEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000876752688 590408788 /nfs/dbraw/zinc/40/87/88/590408788.db2.gz WJKXFFRRGLKACP-CYBMUJFWSA-N 1 3 330.860 0.469 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884642884 590881571 /nfs/dbraw/zinc/88/15/71/590881571.db2.gz RUTLQZVQOWPJDC-OAHLLOKOSA-N 1 3 336.480 0.873 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492436 611435513 /nfs/dbraw/zinc/43/55/13/611435513.db2.gz XTFGDLSVFZNWCM-RHSMWYFYSA-N 1 3 346.475 0.141 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000911204267 609824680 /nfs/dbraw/zinc/82/46/80/609824680.db2.gz ZNFUSBBAIIFHIK-HZMVEIRTSA-N 1 3 348.491 0.810 20 30 ECEDHO C=CCOCC[N@@H+](CCO)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001098540549 733854044 /nfs/dbraw/zinc/85/40/44/733854044.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 1 3 341.496 0.816 20 30 ECEDHO C=CCOCC[N@H+](CCO)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001098540549 733854048 /nfs/dbraw/zinc/85/40/48/733854048.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 1 3 341.496 0.816 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636310 736188309 /nfs/dbraw/zinc/18/83/09/736188309.db2.gz RRVWWLNYAFVWTH-JKSUJKDBSA-N 1 3 336.480 0.483 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001023128214 736523616 /nfs/dbraw/zinc/52/36/16/736523616.db2.gz USBYFGNDLGYRGZ-IXDOHACOSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500032 736924445 /nfs/dbraw/zinc/92/44/45/736924445.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500032 736924448 /nfs/dbraw/zinc/92/44/48/736924448.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554257 739714419 /nfs/dbraw/zinc/71/44/19/739714419.db2.gz AHFSGCXMKVTIHX-HZPDHXFCSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001025629555 739794575 /nfs/dbraw/zinc/79/45/75/739794575.db2.gz IIOURKYKNMKMFN-SJLPKXTDSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629555 739794576 /nfs/dbraw/zinc/79/45/76/739794576.db2.gz IIOURKYKNMKMFN-SJLPKXTDSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC001027234012 743246282 /nfs/dbraw/zinc/24/62/82/743246282.db2.gz ODODAVUWKYQGHO-INIZCTEOSA-N 1 3 343.475 0.703 20 30 ECEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997691608 743756216 /nfs/dbraw/zinc/75/62/16/743756216.db2.gz KOWHSWZUTLJOBY-CKXIEVRYSA-N 1 3 331.460 0.700 20 30 ECEDHO C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262409273 747420588 /nfs/dbraw/zinc/42/05/88/747420588.db2.gz PARFWBPYSWHNEX-GDBMZVCRSA-N 1 3 326.510 0.990 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnnn3CC)C2)CC1 ZINC001021092687 752533877 /nfs/dbraw/zinc/53/38/77/752533877.db2.gz PVQKTDMOKVIFMB-WKILWMFISA-N 1 3 344.463 0.380 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372620 753672194 /nfs/dbraw/zinc/67/21/94/753672194.db2.gz PWWOZQZDURFJHS-AWEZNQCLSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372620 753672198 /nfs/dbraw/zinc/67/21/98/753672198.db2.gz PWWOZQZDURFJHS-AWEZNQCLSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990276875 754931883 /nfs/dbraw/zinc/93/18/83/754931883.db2.gz KIALTURXORHZRV-HZPDHXFCSA-N 1 3 334.464 0.448 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470133 755279043 /nfs/dbraw/zinc/27/90/43/755279043.db2.gz AXKFRTVCYPZYTM-CVEARBPZSA-N 1 3 335.452 0.186 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC001127779292 758645615 /nfs/dbraw/zinc/64/56/15/758645615.db2.gz KXDBRWLHNXPNOS-DOTOQJQBSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC001127779292 758645619 /nfs/dbraw/zinc/64/56/19/758645619.db2.gz KXDBRWLHNXPNOS-DOTOQJQBSA-N 1 3 346.406 0.766 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107035854 759459182 /nfs/dbraw/zinc/45/91/82/759459182.db2.gz BHCKHKYCUMUXTB-ZACQAIPSSA-N 1 3 348.491 0.294 20 30 ECEDHO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099347 759700457 /nfs/dbraw/zinc/70/04/57/759700457.db2.gz BHOADEAQDGDBDS-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099347 759700463 /nfs/dbraw/zinc/70/04/63/759700463.db2.gz BHOADEAQDGDBDS-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598651 760551524 /nfs/dbraw/zinc/55/15/24/760551524.db2.gz NZRITNWDKXCBLO-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001046035790 766722490 /nfs/dbraw/zinc/72/24/90/766722490.db2.gz SRMPLMDWDNITSY-RTBURBONSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035790 766722497 /nfs/dbraw/zinc/72/24/97/766722497.db2.gz SRMPLMDWDNITSY-RTBURBONSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054258 766799536 /nfs/dbraw/zinc/79/95/36/766799536.db2.gz KCVUMXIBNPGDJS-OKZBNKHCSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054258 766799540 /nfs/dbraw/zinc/79/95/40/766799540.db2.gz KCVUMXIBNPGDJS-OKZBNKHCSA-N 1 3 332.492 0.568 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046059461 766821843 /nfs/dbraw/zinc/82/18/43/766821843.db2.gz HTIAWWJGQCIXEF-ZWKOTPCHSA-N 1 3 334.508 0.814 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212915 783669384 /nfs/dbraw/zinc/66/93/84/783669384.db2.gz XNDQSJVKIROABE-XHSDSOJGSA-N 1 3 332.452 0.680 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212915 783669388 /nfs/dbraw/zinc/66/93/88/783669388.db2.gz XNDQSJVKIROABE-XHSDSOJGSA-N 1 3 332.452 0.680 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070332831 783841346 /nfs/dbraw/zinc/84/13/46/783841346.db2.gz XSNFXARNKQWTKP-IXDOHACOSA-N 1 3 346.479 0.926 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534582 784239495 /nfs/dbraw/zinc/23/94/95/784239495.db2.gz BIPBDXHPLFENMJ-HLLBOEOZSA-N 1 3 331.464 0.832 20 30 ECEDHO C=CCN1CC[C@H](NCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001266731093 836211027 /nfs/dbraw/zinc/21/10/27/836211027.db2.gz QXFSGNSRXHTIKW-CVEARBPZSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CCN1CC[C@H](NCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001266731093 836211032 /nfs/dbraw/zinc/21/10/32/836211032.db2.gz QXFSGNSRXHTIKW-CVEARBPZSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876392 836423067 /nfs/dbraw/zinc/42/30/67/836423067.db2.gz LYJONCDEHRNWFL-JKSUJKDBSA-N 1 3 348.491 0.437 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCn2nc(C)cc2C)CC1 ZINC001266996012 836581437 /nfs/dbraw/zinc/58/14/37/836581437.db2.gz XPHVCENAGNSTCK-INIZCTEOSA-N 1 3 345.491 0.939 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267044613 836671461 /nfs/dbraw/zinc/67/14/61/836671461.db2.gz KFZNLJNHQPCXCC-CABCVRRESA-N 1 3 334.464 0.047 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267374064 837280154 /nfs/dbraw/zinc/28/01/54/837280154.db2.gz UOYGQYQXVNUMDQ-INIZCTEOSA-N 1 3 349.479 0.138 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264081573 437015937 /nfs/dbraw/zinc/01/59/37/437015937.db2.gz IOKJMLQSJSJLTB-INIZCTEOSA-N 1 3 346.479 0.807 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000264082270 437015987 /nfs/dbraw/zinc/01/59/87/437015987.db2.gz HSMVTIKKVRUVSU-CYBMUJFWSA-N 1 3 335.427 0.944 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000339751268 437502775 /nfs/dbraw/zinc/50/27/75/437502775.db2.gz KJMBNCMFRQDRDO-UHFFFAOYSA-N 1 3 336.480 0.745 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000343739886 437642620 /nfs/dbraw/zinc/64/26/20/437642620.db2.gz NYDCZWNNFGORGO-AWEZNQCLSA-N 1 3 334.464 0.520 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000343739886 437642624 /nfs/dbraw/zinc/64/26/24/437642624.db2.gz NYDCZWNNFGORGO-AWEZNQCLSA-N 1 3 334.464 0.520 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424487326 437955701 /nfs/dbraw/zinc/95/57/01/437955701.db2.gz AUEOTWOSXBKKEH-OAHLLOKOSA-N 1 3 348.491 0.744 20 30 ECEDHO CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429931 438387664 /nfs/dbraw/zinc/38/76/64/438387664.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 1 3 335.496 0.849 20 30 ECEDHO CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000518171999 438989033 /nfs/dbraw/zinc/98/90/33/438989033.db2.gz LPGPGOIECNMUQW-OALUTQOASA-N 1 3 346.475 0.549 20 30 ECEDHO CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000518171999 438989037 /nfs/dbraw/zinc/98/90/37/438989037.db2.gz LPGPGOIECNMUQW-OALUTQOASA-N 1 3 346.475 0.549 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000491661987 439422709 /nfs/dbraw/zinc/42/27/09/439422709.db2.gz GKIRWLKSTJICRQ-DLBZAZTESA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491661987 439422712 /nfs/dbraw/zinc/42/27/12/439422712.db2.gz GKIRWLKSTJICRQ-DLBZAZTESA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847489177 589251213 /nfs/dbraw/zinc/25/12/13/589251213.db2.gz LCEWRIRTPOPOTR-UHFFFAOYSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCOC[C@]2(COC)C[NH+](C)C)CC1 ZINC000876473223 590379012 /nfs/dbraw/zinc/37/90/12/590379012.db2.gz RPYNUPPLKSBBSB-GOSISDBHSA-N 1 3 337.464 0.137 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883713564 590654615 /nfs/dbraw/zinc/65/46/15/590654615.db2.gz QQJNRQYMOWIIQD-QGZVFWFLSA-N 1 3 336.480 0.884 20 30 ECEDHO C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000104168045 591052715 /nfs/dbraw/zinc/05/27/15/591052715.db2.gz OCLGWAYMKOHLQI-HOTGVXAUSA-N 1 3 325.501 0.604 20 30 ECEDHO C#CCN(C(=O)NC[C@@H]1CCCN1CCOC)C1CC[NH+](C)CC1 ZINC000917829986 609986214 /nfs/dbraw/zinc/98/62/14/609986214.db2.gz WGBRDNQATAOPRP-KRWDZBQOSA-N 1 3 336.480 0.836 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042885 731979241 /nfs/dbraw/zinc/97/92/41/731979241.db2.gz YKLOXIHRHLIASB-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042885 731979242 /nfs/dbraw/zinc/97/92/42/731979242.db2.gz YKLOXIHRHLIASB-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232520 733076713 /nfs/dbraw/zinc/07/67/13/733076713.db2.gz FVCFTGPQOLOOLR-HZPDHXFCSA-N 1 3 348.491 0.342 20 30 ECEDHO C=CCOCC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572365 736268987 /nfs/dbraw/zinc/26/89/87/736268987.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 1 3 341.496 0.815 20 30 ECEDHO C=CCOCC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572365 736268990 /nfs/dbraw/zinc/26/89/90/736268990.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 1 3 341.496 0.815 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001023128241 736523593 /nfs/dbraw/zinc/52/35/93/736523593.db2.gz VOZXQPUXAYVIAX-XSYGEPLQSA-N 1 3 345.487 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318026 738289485 /nfs/dbraw/zinc/28/94/85/738289485.db2.gz PYAYNFGOYHFUJC-KSZLIROESA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318026 738289487 /nfs/dbraw/zinc/28/94/87/738289487.db2.gz PYAYNFGOYHFUJC-KSZLIROESA-N 1 3 347.503 0.929 20 30 ECEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561687 746443305 /nfs/dbraw/zinc/44/33/05/746443305.db2.gz SPMOGNCXEFAZOQ-PIMZTRDMSA-N 1 3 331.460 0.720 20 30 ECEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561687 746443309 /nfs/dbraw/zinc/44/33/09/746443309.db2.gz SPMOGNCXEFAZOQ-PIMZTRDMSA-N 1 3 331.460 0.720 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001088429896 749193335 /nfs/dbraw/zinc/19/33/35/749193335.db2.gz CKYPAJWAQPUVPB-WBVHZDCISA-N 1 3 348.491 0.566 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255162 749261501 /nfs/dbraw/zinc/26/15/01/749261501.db2.gz PBGGYSAIBNPSFJ-IPMKNSEASA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255162 749261506 /nfs/dbraw/zinc/26/15/06/749261506.db2.gz PBGGYSAIBNPSFJ-IPMKNSEASA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cncn3C)[C@@H]2C)CC1 ZINC000987575282 750977851 /nfs/dbraw/zinc/97/78/51/750977851.db2.gz IXMMFXNSKUVNBQ-MAUKXSAKSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC001168308865 754287408 /nfs/dbraw/zinc/28/74/08/754287408.db2.gz YMJXUJZGADCCQJ-INIZCTEOSA-N 1 3 346.475 0.096 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001030021618 755737449 /nfs/dbraw/zinc/73/74/49/755737449.db2.gz HNFXCCKXACRETM-JYJNAYRXSA-N 1 3 336.480 0.694 20 30 ECEDHO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479519 /nfs/dbraw/zinc/47/95/19/757479519.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479523 /nfs/dbraw/zinc/47/95/23/757479523.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001054298398 767907703 /nfs/dbraw/zinc/90/77/03/767907703.db2.gz HNFXCCKXACRETM-PMPSAXMXSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082786 761028324 /nfs/dbraw/zinc/02/83/24/761028324.db2.gz YUWANYCJASYOBE-MRXNPFEDSA-N 1 3 336.480 0.766 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082786 761028330 /nfs/dbraw/zinc/02/83/30/761028330.db2.gz YUWANYCJASYOBE-MRXNPFEDSA-N 1 3 336.480 0.766 20 30 ECEDHO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cncc3C)C2)CC1 ZINC001052052606 763717211 /nfs/dbraw/zinc/71/72/11/763717211.db2.gz QXOQXXNLFBLAKU-QGZVFWFLSA-N 1 3 331.464 0.986 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036857 766729608 /nfs/dbraw/zinc/72/96/08/766729608.db2.gz HTIAWWJGQCIXEF-ROUUACIJSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050932 766788721 /nfs/dbraw/zinc/78/87/21/766788721.db2.gz SZCODWJGKAEUEX-KRWDZBQOSA-N 1 3 332.492 0.713 20 30 ECEDHO C[NH+](C)CCn1ccc(C(=O)NCCNCc2ccc(C#N)s2)n1 ZINC001127575977 767052985 /nfs/dbraw/zinc/05/29/85/767052985.db2.gz FTJLSBARELSXPS-UHFFFAOYSA-N 1 3 346.460 0.897 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704731 768693219 /nfs/dbraw/zinc/69/32/19/768693219.db2.gz AIFZUOHGYPUZJW-MGPQQGTHSA-N 1 3 333.436 0.327 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223971 783693010 /nfs/dbraw/zinc/69/30/10/783693010.db2.gz GMYVBYUUIVEEMR-IKGGRYGDSA-N 1 3 346.479 0.926 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223971 783693016 /nfs/dbraw/zinc/69/30/16/783693016.db2.gz GMYVBYUUIVEEMR-IKGGRYGDSA-N 1 3 346.479 0.926 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001071062318 784501205 /nfs/dbraw/zinc/50/12/05/784501205.db2.gz WADULHKNZUFLME-SQNIBIBYSA-N 1 3 333.476 0.946 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070657721 784510477 /nfs/dbraw/zinc/51/04/77/784510477.db2.gz HINWLLKZHLSMOM-GVDBMIGSSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070657721 784510483 /nfs/dbraw/zinc/51/04/83/784510483.db2.gz HINWLLKZHLSMOM-GVDBMIGSSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267488113 837553136 /nfs/dbraw/zinc/55/31/36/837553136.db2.gz YNQRSPDNXAXRQU-HNNXBMFYSA-N 1 3 348.491 0.437 20 30 ECEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001266798847 836319392 /nfs/dbraw/zinc/31/93/92/836319392.db2.gz WIRWGKPELPTWGN-OAHLLOKOSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001266880527 836427579 /nfs/dbraw/zinc/42/75/79/836427579.db2.gz LIWMBWWLBCEUPP-CVEARBPZSA-N 1 3 336.480 0.437 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267018973 836635080 /nfs/dbraw/zinc/63/50/80/836635080.db2.gz VKLUSIPTAIDSAD-IRXDYDNUSA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267018973 836635086 /nfs/dbraw/zinc/63/50/86/836635086.db2.gz VKLUSIPTAIDSAD-IRXDYDNUSA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267022246 836638668 /nfs/dbraw/zinc/63/86/68/836638668.db2.gz DYODKSBZZDMTIX-INIZCTEOSA-N 1 3 346.475 0.473 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267184669 836937329 /nfs/dbraw/zinc/93/73/29/836937329.db2.gz CAUOIJSYNMVLHS-HNNXBMFYSA-N 1 3 348.491 0.437 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1 ZINC000264230278 437018362 /nfs/dbraw/zinc/01/83/62/437018362.db2.gz CGEPOBOBGROFIU-OAHLLOKOSA-N 1 3 347.463 0.901 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000343739188 437641847 /nfs/dbraw/zinc/64/18/47/437641847.db2.gz LUEVEKGQWWFWCB-CJNGLKHVSA-N 1 3 334.464 0.352 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000343898038 437687405 /nfs/dbraw/zinc/68/74/05/437687405.db2.gz ZDXLNAKWZXQAGC-HNNXBMFYSA-N 1 3 338.496 0.990 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC000419564726 438362076 /nfs/dbraw/zinc/36/20/76/438362076.db2.gz CUVAMYMOHKMMFK-HZPDHXFCSA-N 1 3 336.480 0.622 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C(C)C ZINC000419567688 438362911 /nfs/dbraw/zinc/36/29/11/438362911.db2.gz JACAQASBGJRTKF-JKSUJKDBSA-N 1 3 336.480 0.608 20 30 ECEDHO CN1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)(N2CCOCC2)CC1 ZINC000598726756 439308386 /nfs/dbraw/zinc/30/83/86/439308386.db2.gz ARCWLEDRYNMAKK-INIZCTEOSA-N 1 3 338.496 0.673 20 30 ECEDHO C#C[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000491295979 439362539 /nfs/dbraw/zinc/36/25/39/439362539.db2.gz KGMKAHSZVBYYQE-MRXNPFEDSA-N 1 3 334.464 0.589 20 30 ECEDHO C#CCNC(=O)CC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000491554738 439406671 /nfs/dbraw/zinc/40/66/71/439406671.db2.gz LSYBLMCYQJJQTO-UHFFFAOYSA-N 1 3 328.460 0.663 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427912 439382373 /nfs/dbraw/zinc/38/23/73/439382373.db2.gz MMJUVASIEYYYNS-IRXDYDNUSA-N 1 3 336.480 0.869 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000600736053 439697402 /nfs/dbraw/zinc/69/74/02/439697402.db2.gz PRSPEWQYSMFARP-KRWDZBQOSA-N 1 3 346.475 0.914 20 30 ECEDHO CCC(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N(C)C ZINC000104161080 586333834 /nfs/dbraw/zinc/33/38/34/586333834.db2.gz CDLMZHXOHLRFJL-MRXNPFEDSA-N 1 3 327.517 0.979 20 30 ECEDHO C=C(CN(C)C)C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000804627905 587089225 /nfs/dbraw/zinc/08/92/25/587089225.db2.gz SYSBQPQCMRTKIE-UHFFFAOYSA-N 1 3 327.469 0.690 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359280 /nfs/dbraw/zinc/35/92/80/611359280.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359281 /nfs/dbraw/zinc/35/92/81/611359281.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 1 3 331.460 0.653 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000930007751 611379535 /nfs/dbraw/zinc/37/95/35/611379535.db2.gz XRXAKFJEYIRECD-UHFFFAOYSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906296 610023202 /nfs/dbraw/zinc/02/32/02/610023202.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906296 610023203 /nfs/dbraw/zinc/02/32/03/610023203.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 1 3 347.507 0.552 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000969846475 732435823 /nfs/dbraw/zinc/43/58/23/732435823.db2.gz VNXXRZKWMWKHCA-OWCLPIDISA-N 1 3 336.480 0.550 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211278156 734245420 /nfs/dbraw/zinc/24/54/20/734245420.db2.gz PYGPVMXUNLQYCO-HOTGVXAUSA-N 1 3 336.480 0.694 20 30 ECEDHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104676386 739457437 /nfs/dbraw/zinc/45/74/37/739457437.db2.gz HVELGPVPLSJTNX-BZUAXINKSA-N 1 3 349.479 0.185 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326729 741809943 /nfs/dbraw/zinc/80/99/43/741809943.db2.gz DERIVDHWTCTCQO-CQSZACIVSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326729 741809947 /nfs/dbraw/zinc/80/99/47/741809947.db2.gz DERIVDHWTCTCQO-CQSZACIVSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1=O ZINC000997014829 743132477 /nfs/dbraw/zinc/13/24/77/743132477.db2.gz LHAVXRMHVLHFPO-CVEARBPZSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997588866 743693527 /nfs/dbraw/zinc/69/35/27/743693527.db2.gz HVNWOCPBELZNCD-HNNXBMFYSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169129 /nfs/dbraw/zinc/16/91/29/746169129.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 1 3 331.460 0.842 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169132 /nfs/dbraw/zinc/16/91/32/746169132.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 1 3 331.460 0.842 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC000984802907 746973418 /nfs/dbraw/zinc/97/34/18/746973418.db2.gz FHKRSZZJIYLJEB-VQHPVUNQSA-N 1 3 348.491 0.600 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000985154067 747476774 /nfs/dbraw/zinc/47/67/74/747476774.db2.gz BIJPEXXDBGDBJK-DJIMGWMZSA-N 1 3 346.475 0.095 20 30 ECEDHO CC#CCN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154419 747546984 /nfs/dbraw/zinc/54/69/84/747546984.db2.gz LWSVWVLIESIACX-SJORKVTESA-N 1 3 333.476 0.901 20 30 ECEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790438 749107946 /nfs/dbraw/zinc/10/79/46/749107946.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 1 3 348.491 0.648 20 30 ECEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790438 749107952 /nfs/dbraw/zinc/10/79/52/749107952.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 1 3 348.491 0.648 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262659764 749222045 /nfs/dbraw/zinc/22/20/45/749222045.db2.gz MQBBYZOXFDACBD-KGLIPLIRSA-N 1 3 345.513 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000987579042 750981258 /nfs/dbraw/zinc/98/12/58/750981258.db2.gz ZPYANLKPIIDDJT-MAUKXSAKSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C[C@H]2C)CC1 ZINC000989829652 754483379 /nfs/dbraw/zinc/48/33/79/754483379.db2.gz UQFQMVHSDGAWDT-NVXWUHKLSA-N 1 3 343.475 0.844 20 30 ECEDHO C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778484 755083899 /nfs/dbraw/zinc/08/38/99/755083899.db2.gz IEXVLWCJGOGXQH-RDJZCZTQSA-N 1 3 348.491 0.553 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC001076604569 756723635 /nfs/dbraw/zinc/72/36/35/756723635.db2.gz MLSHEKAGNSEKHZ-RYQLBKOJSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC001076604569 756723638 /nfs/dbraw/zinc/72/36/38/756723638.db2.gz MLSHEKAGNSEKHZ-RYQLBKOJSA-N 1 3 333.476 0.899 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC001127779568 758625481 /nfs/dbraw/zinc/62/54/81/758625481.db2.gz OFMSMSLPAHCPMV-IUODEOHRSA-N 1 3 334.445 0.689 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779568 758625482 /nfs/dbraw/zinc/62/54/82/758625482.db2.gz OFMSMSLPAHCPMV-IUODEOHRSA-N 1 3 334.445 0.689 20 30 ECEDHO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099346 759700671 /nfs/dbraw/zinc/70/06/71/759700671.db2.gz BHOADEAQDGDBDS-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099346 759700675 /nfs/dbraw/zinc/70/06/75/759700675.db2.gz BHOADEAQDGDBDS-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066113 760687399 /nfs/dbraw/zinc/68/73/99/760687399.db2.gz JNWQFMKJRFSULD-MRXNPFEDSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066113 760687406 /nfs/dbraw/zinc/68/74/06/760687406.db2.gz JNWQFMKJRFSULD-MRXNPFEDSA-N 1 3 338.496 0.990 20 30 ECEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573527 764783401 /nfs/dbraw/zinc/78/34/01/764783401.db2.gz XVSLKINVPWDLAL-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573527 764783408 /nfs/dbraw/zinc/78/34/08/764783408.db2.gz XVSLKINVPWDLAL-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046036392 766726609 /nfs/dbraw/zinc/72/66/09/766726609.db2.gz ITHJBNGZAXKAJO-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036392 766726619 /nfs/dbraw/zinc/72/66/19/766726619.db2.gz ITHJBNGZAXKAJO-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063917 766839548 /nfs/dbraw/zinc/83/95/48/766839548.db2.gz BVLLLZACZXUXGT-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063917 766839556 /nfs/dbraw/zinc/83/95/56/766839556.db2.gz BVLLLZACZXUXGT-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689625 784555929 /nfs/dbraw/zinc/55/59/29/784555929.db2.gz IAZLTZNWJOXZII-BZUAXINKSA-N 1 3 331.464 0.832 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CCCF)CCCO2)CC1 ZINC001073899060 787474176 /nfs/dbraw/zinc/47/41/76/787474176.db2.gz KCEOXRZNMWZIDK-KRWDZBQOSA-N 1 3 339.455 0.898 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CCCF)CCCO2)CC1 ZINC001073899060 787474179 /nfs/dbraw/zinc/47/41/79/787474179.db2.gz KCEOXRZNMWZIDK-KRWDZBQOSA-N 1 3 339.455 0.898 20 30 ECEDHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419991972 209271171 /nfs/dbraw/zinc/27/11/71/209271171.db2.gz JBWCQTZXKJMZPG-AWEZNQCLSA-N 1 3 345.447 0.302 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000491671254 275380195 /nfs/dbraw/zinc/38/01/95/275380195.db2.gz QABHDYUJLNKNEM-ZDUSSCGKSA-N 1 3 349.401 0.077 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953343 437305972 /nfs/dbraw/zinc/30/59/72/437305972.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 1 3 339.484 0.345 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000343733031 437640390 /nfs/dbraw/zinc/64/03/90/437640390.db2.gz AHJJJSPCWKVHDV-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733031 437640395 /nfs/dbraw/zinc/64/03/95/437640395.db2.gz AHJJJSPCWKVHDV-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000343754189 437648121 /nfs/dbraw/zinc/64/81/21/437648121.db2.gz BYQWYIOGUFDKLS-UHFFFAOYSA-N 1 3 348.491 0.840 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419724021 438370104 /nfs/dbraw/zinc/37/01/04/438370104.db2.gz GTZWLBUFYRSMKX-XIRDDKMYSA-N 1 3 348.491 0.729 20 30 ECEDHO C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426553 438385084 /nfs/dbraw/zinc/38/50/84/438385084.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 1 3 337.468 0.099 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422291523 438545691 /nfs/dbraw/zinc/54/56/91/438545691.db2.gz DOVVREHMBFNMQM-MRXNPFEDSA-N 1 3 336.480 0.696 20 30 ECEDHO C[NH2+]CCCc1[nH]nc(NC(=O)C2CCN(C3CC3)CC2)c1C#N ZINC000555192218 438773035 /nfs/dbraw/zinc/77/30/35/438773035.db2.gz JBOJTFZHHBHDKR-UHFFFAOYSA-N 1 3 330.436 1.246 20 30 ECEDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566120680 439010752 /nfs/dbraw/zinc/01/07/52/439010752.db2.gz OJSLYEBQRVIGLE-GOSISDBHSA-N 1 3 346.475 0.914 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735982 439457124 /nfs/dbraw/zinc/45/71/24/439457124.db2.gz CHQLYRVVWYQMIB-BYNSBNAKSA-N 1 3 338.452 0.605 20 30 ECEDHO C=CCN1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650853036 440698636 /nfs/dbraw/zinc/69/86/36/440698636.db2.gz ZHTXOFMYIGGOBY-UHFFFAOYSA-N 1 3 337.468 0.052 20 30 ECEDHO O=C(C#CC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000852903322 589523903 /nfs/dbraw/zinc/52/39/03/589523903.db2.gz ZAXKPKFHUPEFLG-IBGZPJMESA-N 1 3 341.455 0.872 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367065 591153718 /nfs/dbraw/zinc/15/37/18/591153718.db2.gz IHTKUNANCJVRQC-KRWDZBQOSA-N 1 3 349.523 0.799 20 30 ECEDHO C#CCN1CCC(C(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909325382 608604548 /nfs/dbraw/zinc/60/45/48/608604548.db2.gz NLBXEBHRKITYRC-UHFFFAOYSA-N 1 3 334.464 0.050 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000940462055 610288971 /nfs/dbraw/zinc/28/89/71/610288971.db2.gz YLOGFTXOELBDLG-INIZCTEOSA-N 1 3 348.491 0.840 20 30 ECEDHO CC#CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516605 610881603 /nfs/dbraw/zinc/88/16/03/610881603.db2.gz MHNZQCITPYVKQS-WBVHZDCISA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000923201887 611213992 /nfs/dbraw/zinc/21/39/92/611213992.db2.gz VJKVAKFVDPENKJ-INIZCTEOSA-N 1 3 337.512 0.655 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721225 732082641 /nfs/dbraw/zinc/08/26/41/732082641.db2.gz CAERKXBMOAJLKM-MWDXBVQZSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721225 732082646 /nfs/dbraw/zinc/08/26/46/732082646.db2.gz CAERKXBMOAJLKM-MWDXBVQZSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1=O ZINC001210811743 734030126 /nfs/dbraw/zinc/03/01/26/734030126.db2.gz QKENGLGHMLKVRU-CVEARBPZSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC001023127728 736522960 /nfs/dbraw/zinc/52/29/60/736522960.db2.gz BFWTWMZZONFXSX-HDICACEKSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560675 738107243 /nfs/dbraw/zinc/10/72/43/738107243.db2.gz HXESSOUBRRBMIZ-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560675 738107244 /nfs/dbraw/zinc/10/72/44/738107244.db2.gz HXESSOUBRRBMIZ-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425395 739482316 /nfs/dbraw/zinc/48/23/16/739482316.db2.gz PJKNJTRXUYDLHQ-HOTGVXAUSA-N 1 3 331.464 0.908 20 30 ECEDHO C[C@@H]1[C@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)CC[N@@H+]1C ZINC000996775735 742842590 /nfs/dbraw/zinc/84/25/90/742842590.db2.gz HVSWDNSZGCRWOI-AQEOSJORSA-N 1 3 347.507 0.895 20 30 ECEDHO C[C@@H]1[C@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)CC[N@H+]1C ZINC000996775735 742842600 /nfs/dbraw/zinc/84/26/00/742842600.db2.gz HVSWDNSZGCRWOI-AQEOSJORSA-N 1 3 347.507 0.895 20 30 ECEDHO C[N@@H+]1CC[C@H](CC(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996795049 742875353 /nfs/dbraw/zinc/87/53/53/742875353.db2.gz ICBNEORUNJNPHW-WWDZGPRUSA-N 1 3 347.507 0.897 20 30 ECEDHO C[N@H+]1CC[C@H](CC(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996795049 742875362 /nfs/dbraw/zinc/87/53/62/742875362.db2.gz ICBNEORUNJNPHW-WWDZGPRUSA-N 1 3 347.507 0.897 20 30 ECEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647913 746569614 /nfs/dbraw/zinc/56/96/14/746569614.db2.gz ZZSFDPDMRIPOKU-TVRKMHQQSA-N 1 3 331.460 0.701 20 30 ECEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790436 749107477 /nfs/dbraw/zinc/10/74/77/749107477.db2.gz HHLIOXWBZNYENP-RDJZCZTQSA-N 1 3 348.491 0.648 20 30 ECEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790436 749107483 /nfs/dbraw/zinc/10/74/83/749107483.db2.gz HHLIOXWBZNYENP-RDJZCZTQSA-N 1 3 348.491 0.648 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@@H](C)C(N)=O)CC2)CC1 ZINC000985803743 749138175 /nfs/dbraw/zinc/13/81/75/749138175.db2.gz JAKMEOKEXKXVQH-AWEZNQCLSA-N 1 3 334.464 0.128 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@@H](C)C(N)=O)CC2)CC1 ZINC000985803743 749138181 /nfs/dbraw/zinc/13/81/81/749138181.db2.gz JAKMEOKEXKXVQH-AWEZNQCLSA-N 1 3 334.464 0.128 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001030021619 755737282 /nfs/dbraw/zinc/73/72/82/755737282.db2.gz HNFXCCKXACRETM-XHSDSOJGSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCCN1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345201 756395840 /nfs/dbraw/zinc/39/58/40/756395840.db2.gz UARPEJBVEGNFIU-DOTOQJQBSA-N 1 3 329.448 0.614 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001022711978 759024646 /nfs/dbraw/zinc/02/46/46/759024646.db2.gz HQOUPNMUUNEUDR-CAOSSQGBSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050233914 760009885 /nfs/dbraw/zinc/00/98/85/760009885.db2.gz DVZMPCOPVKNJJX-SJORKVTESA-N 1 3 348.491 0.697 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001048590320 760766537 /nfs/dbraw/zinc/76/65/37/760766537.db2.gz MSIVYRRPOXGEER-VBUUOAMHSA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001048590320 760766542 /nfs/dbraw/zinc/76/65/42/760766542.db2.gz MSIVYRRPOXGEER-VBUUOAMHSA-N 1 3 333.476 0.683 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000940356346 763281823 /nfs/dbraw/zinc/28/18/23/763281823.db2.gz OBFHCSFBULTNGF-OAHLLOKOSA-N 1 3 345.447 0.710 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344080 768336961 /nfs/dbraw/zinc/33/69/61/768336961.db2.gz FSUMGIAVLIXNFA-CVEARBPZSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344080 768336966 /nfs/dbraw/zinc/33/69/66/768336966.db2.gz FSUMGIAVLIXNFA-CVEARBPZSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001046028611 766691095 /nfs/dbraw/zinc/69/10/95/766691095.db2.gz CYHFWBFMCVIWCV-MSOLQXFVSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028611 766691102 /nfs/dbraw/zinc/69/11/02/766691102.db2.gz CYHFWBFMCVIWCV-MSOLQXFVSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032797 766707235 /nfs/dbraw/zinc/70/72/35/766707235.db2.gz NDNNUONEALBCNJ-OKZBNKHCSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032797 766707239 /nfs/dbraw/zinc/70/72/39/766707239.db2.gz NDNNUONEALBCNJ-OKZBNKHCSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035445 766720822 /nfs/dbraw/zinc/72/08/22/766720822.db2.gz LZWMXVUTGXQPEJ-QGZVFWFLSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035445 766720825 /nfs/dbraw/zinc/72/08/25/766720825.db2.gz LZWMXVUTGXQPEJ-QGZVFWFLSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCO)CC3)CC1 ZINC000992512458 766750039 /nfs/dbraw/zinc/75/00/39/766750039.db2.gz SIKXRKHKQRCRAD-PKOBYXMFSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512458 766750046 /nfs/dbraw/zinc/75/00/46/766750046.db2.gz SIKXRKHKQRCRAD-PKOBYXMFSA-N 1 3 333.476 0.827 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106662963 768573254 /nfs/dbraw/zinc/57/32/54/768573254.db2.gz LPSOORAWGCIUPK-BZUAXINKSA-N 1 3 336.480 0.457 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289778 771109353 /nfs/dbraw/zinc/10/93/53/771109353.db2.gz CAERKXBMOAJLKM-QAETUUGQSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289778 771109356 /nfs/dbraw/zinc/10/93/56/771109356.db2.gz CAERKXBMOAJLKM-QAETUUGQSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019343044 771185735 /nfs/dbraw/zinc/18/57/35/771185735.db2.gz VNXXRZKWMWKHCA-HRCADAONSA-N 1 3 336.480 0.550 20 30 ECEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489218 781619043 /nfs/dbraw/zinc/61/90/43/781619043.db2.gz QKULWBRFVYRMSE-TXLGJMDYSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489218 781619044 /nfs/dbraw/zinc/61/90/44/781619044.db2.gz QKULWBRFVYRMSE-TXLGJMDYSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332802 783841087 /nfs/dbraw/zinc/84/10/87/783841087.db2.gz WDALVWTZOKCYON-PMPSAXMXSA-N 1 3 332.452 0.680 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070503668 784200246 /nfs/dbraw/zinc/20/02/46/784200246.db2.gz GDBZZTMABHHUPB-UAGQMJEPSA-N 1 3 331.464 0.524 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H](CC)C(N)=O)[C@@H]2C)CC1 ZINC001075129008 788947485 /nfs/dbraw/zinc/94/74/85/788947485.db2.gz NZGNYFSZNLRVNA-IMJJTQAJSA-N 1 3 334.464 0.175 20 30 ECEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC001069840735 790074859 /nfs/dbraw/zinc/07/48/59/790074859.db2.gz MQUIIRASPHIXEW-DOTOQJQBSA-N 1 3 341.459 0.451 20 30 ECEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840735 790074863 /nfs/dbraw/zinc/07/48/63/790074863.db2.gz MQUIIRASPHIXEW-DOTOQJQBSA-N 1 3 341.459 0.451 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001279371582 835726138 /nfs/dbraw/zinc/72/61/38/835726138.db2.gz RKPLSPFMGWFXEO-KSZLIROESA-N 1 3 333.476 0.901 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001279371582 835726142 /nfs/dbraw/zinc/72/61/42/835726142.db2.gz RKPLSPFMGWFXEO-KSZLIROESA-N 1 3 333.476 0.901 20 30 ECEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001266370891 835783898 /nfs/dbraw/zinc/78/38/98/835783898.db2.gz NGVDKVSOGHAIED-ZWKOTPCHSA-N 1 3 345.487 0.949 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266547274 835969542 /nfs/dbraw/zinc/96/95/42/835969542.db2.gz NXEXKMFFVVYGJB-KRWDZBQOSA-N 1 3 348.491 0.719 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)CC1 ZINC001267233068 837038048 /nfs/dbraw/zinc/03/80/48/837038048.db2.gz PYHOTXQCQBVRFZ-INIZCTEOSA-N 1 3 348.491 0.296 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)CC1 ZINC001267233068 837038059 /nfs/dbraw/zinc/03/80/59/837038059.db2.gz PYHOTXQCQBVRFZ-INIZCTEOSA-N 1 3 348.491 0.296 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001267926419 838803781 /nfs/dbraw/zinc/80/37/81/838803781.db2.gz OKSCKBXQAPIACZ-SHTZXODSSA-N 1 3 334.464 0.237 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001267999522 838949140 /nfs/dbraw/zinc/94/91/40/838949140.db2.gz QRWNTWWJTREWMN-CABCVRRESA-N 1 3 336.480 0.341 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001267999525 838949452 /nfs/dbraw/zinc/94/94/52/838949452.db2.gz QRWNTWWJTREWMN-LSDHHAIUSA-N 1 3 336.480 0.341 20 30 ECEDHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419955216 209259702 /nfs/dbraw/zinc/25/97/02/209259702.db2.gz MTKADHJGCMBNSW-AWEZNQCLSA-N 1 3 345.447 0.159 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000274808763 436876161 /nfs/dbraw/zinc/87/61/61/436876161.db2.gz UYYWERXOLQZOLM-INIZCTEOSA-N 1 3 346.479 0.807 20 30 ECEDHO CN1CC[NH+]=C1NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000262681285 436940888 /nfs/dbraw/zinc/94/08/88/436940888.db2.gz WHMPFIFJAYGUEE-INIZCTEOSA-N 1 3 329.448 0.775 20 30 ECEDHO [NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)N1CCOCC1 ZINC000267398096 437328544 /nfs/dbraw/zinc/32/85/44/437328544.db2.gz FIZHNVDWWZHJHF-UHFFFAOYSA-N 1 3 332.448 0.790 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000343758067 437648887 /nfs/dbraw/zinc/64/88/87/437648887.db2.gz ATFJTCIYFCZVHZ-UHFFFAOYSA-N 1 3 348.491 0.886 20 30 ECEDHO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306198 437916771 /nfs/dbraw/zinc/91/67/71/437916771.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 1 3 335.496 0.847 20 30 ECEDHO N=C(NO)[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000367462200 438211632 /nfs/dbraw/zinc/21/16/32/438211632.db2.gz DRHZMGZAWHVION-ZIAGYGMSSA-N 1 3 336.440 0.611 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C(C)C ZINC000419571694 438363108 /nfs/dbraw/zinc/36/31/08/438363108.db2.gz PFEUJPHZEBKKNL-CVEARBPZSA-N 1 3 336.480 0.751 20 30 ECEDHO C#C[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000491295978 439362999 /nfs/dbraw/zinc/36/29/99/439362999.db2.gz KGMKAHSZVBYYQE-INIZCTEOSA-N 1 3 334.464 0.589 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000570147681 439395441 /nfs/dbraw/zinc/39/54/41/439395441.db2.gz HQOJRYKHRDFBML-LJQANCHMSA-N 1 3 348.491 0.745 20 30 ECEDHO CN(CC(=O)NCC#CCNC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000629978036 440822865 /nfs/dbraw/zinc/82/28/65/440822865.db2.gz GBHUPYXHBJIXHE-UHFFFAOYSA-N 1 3 334.464 0.191 20 30 ECEDHO CN(CC(=O)NCC#CCNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000629978036 440822869 /nfs/dbraw/zinc/82/28/69/440822869.db2.gz GBHUPYXHBJIXHE-UHFFFAOYSA-N 1 3 334.464 0.191 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621846259 546576395 /nfs/dbraw/zinc/57/63/95/546576395.db2.gz YQSSKFDXECGSTI-RDTXWAMCSA-N 1 3 334.464 0.483 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013413 548255641 /nfs/dbraw/zinc/25/56/41/548255641.db2.gz DKUPIVZHHCILEI-CQSZACIVSA-N 1 3 336.480 0.600 20 30 ECEDHO N#Cc1ccc([C@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003257 587464140 /nfs/dbraw/zinc/46/41/40/587464140.db2.gz CNTGEUIPBONTPH-IAGOWNOFSA-N 1 3 330.432 0.769 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846166798 589189728 /nfs/dbraw/zinc/18/97/28/589189728.db2.gz CUWHQPIKDZYCIJ-ULQDDVLXSA-N 1 3 336.480 0.869 20 30 ECEDHO CN1CCN(CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852884170 589521832 /nfs/dbraw/zinc/52/18/32/589521832.db2.gz URRQMDQHERLGAS-UHFFFAOYSA-N 1 3 332.492 0.475 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000884614465 590872794 /nfs/dbraw/zinc/87/27/94/590872794.db2.gz NURXBODSZYEMBV-OWCLPIDISA-N 1 3 336.480 0.749 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CCN(CC)CC1 ZINC000104174703 591053239 /nfs/dbraw/zinc/05/32/39/591053239.db2.gz PLFPUTSUIXDMHD-IRXDYDNUSA-N 1 3 338.544 0.649 20 30 ECEDHO N#CC[C@@H](O)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000930072279 611386418 /nfs/dbraw/zinc/38/64/18/611386418.db2.gz QVEAIPVJRWCTKK-QGZVFWFLSA-N 1 3 336.480 0.965 20 30 ECEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630721 611672958 /nfs/dbraw/zinc/67/29/58/611672958.db2.gz BKSSVCGPEYWXIF-DHADLLTHSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630721 611672962 /nfs/dbraw/zinc/67/29/62/611672962.db2.gz BKSSVCGPEYWXIF-DHADLLTHSA-N 1 3 331.460 0.796 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000911203771 609824351 /nfs/dbraw/zinc/82/43/51/609824351.db2.gz ILLZYBFFRGBBCU-OAGGEKHMSA-N 1 3 336.480 0.607 20 30 ECEDHO C=CCCN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235992 735493763 /nfs/dbraw/zinc/49/37/63/735493763.db2.gz GKGMOJLAWAEANM-DLBZAZTESA-N 1 3 337.464 0.585 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000973295458 739059821 /nfs/dbraw/zinc/05/98/21/739059821.db2.gz LXULVWVTMGBVPO-ULQDDVLXSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000973295458 739059824 /nfs/dbraw/zinc/05/98/24/739059824.db2.gz LXULVWVTMGBVPO-ULQDDVLXSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000997435600 743615442 /nfs/dbraw/zinc/61/54/42/743615442.db2.gz WJVANGUCNUXXAC-HZPDHXFCSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000982282804 751861346 /nfs/dbraw/zinc/86/13/46/751861346.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000982282804 751861352 /nfs/dbraw/zinc/86/13/52/751861352.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCCN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301204 744846418 /nfs/dbraw/zinc/84/64/18/744846418.db2.gz GPRKYOLFNMXJPP-INIZCTEOSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999832252 744927343 /nfs/dbraw/zinc/92/73/43/744927343.db2.gz BDXQJAHLGQLPAX-UYSNPLJNSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000999877054 744985811 /nfs/dbraw/zinc/98/58/11/744985811.db2.gz XXFMTDMBEXNTFD-OFLPRAFFSA-N 1 3 346.475 0.141 20 30 ECEDHO CC#CCN1CCC(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001001408247 746348610 /nfs/dbraw/zinc/34/86/10/746348610.db2.gz FXTDRFGLLSCRJH-UHFFFAOYSA-N 1 3 331.464 0.910 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@H](C)C(=O)NC)CC2)CC1 ZINC001168307920 754270555 /nfs/dbraw/zinc/27/05/55/754270555.db2.gz MNKORBCCGJMJLA-OAHLLOKOSA-N 1 3 348.491 0.342 20 30 ECEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860678 757207695 /nfs/dbraw/zinc/20/76/95/757207695.db2.gz AMMFJEOWMQHRNL-SOLBZPMBSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860678 757207699 /nfs/dbraw/zinc/20/76/99/757207699.db2.gz AMMFJEOWMQHRNL-SOLBZPMBSA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082785 761027810 /nfs/dbraw/zinc/02/78/10/761027810.db2.gz YUWANYCJASYOBE-INIZCTEOSA-N 1 3 336.480 0.766 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082785 761027820 /nfs/dbraw/zinc/02/78/20/761027820.db2.gz YUWANYCJASYOBE-INIZCTEOSA-N 1 3 336.480 0.766 20 30 ECEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572944 764782568 /nfs/dbraw/zinc/78/25/68/764782568.db2.gz RDIZQVREHFYRDC-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572944 764782576 /nfs/dbraw/zinc/78/25/76/764782576.db2.gz RDIZQVREHFYRDC-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC000993855330 769762780 /nfs/dbraw/zinc/76/27/80/769762780.db2.gz OFYIJSOSPBUUQA-OAHLLOKOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC000993855330 769762788 /nfs/dbraw/zinc/76/27/88/769762788.db2.gz OFYIJSOSPBUUQA-OAHLLOKOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000993855931 769766731 /nfs/dbraw/zinc/76/67/31/769766731.db2.gz WAZQCZQZILKJJJ-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993855931 769766736 /nfs/dbraw/zinc/76/67/36/769766736.db2.gz WAZQCZQZILKJJJ-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018963610 770413605 /nfs/dbraw/zinc/41/36/05/770413605.db2.gz SDYHYBBBUMPHNT-LSDHHAIUSA-N 1 3 334.464 0.448 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019000875 770532438 /nfs/dbraw/zinc/53/24/38/770532438.db2.gz VNXXRZKWMWKHCA-XHSDSOJGSA-N 1 3 336.480 0.550 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1=O ZINC001045070304 774930516 /nfs/dbraw/zinc/93/05/16/774930516.db2.gz BXXBQEUQGQBFQQ-DLBZAZTESA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489280 781619017 /nfs/dbraw/zinc/61/90/17/781619017.db2.gz SHEXQPYETFQGPN-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489280 781619023 /nfs/dbraw/zinc/61/90/23/781619023.db2.gz SHEXQPYETFQGPN-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209320 783661353 /nfs/dbraw/zinc/66/13/53/783661353.db2.gz YOTSGPHNOOSATA-PMPSAXMXSA-N 1 3 332.452 0.536 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001070216632 783676787 /nfs/dbraw/zinc/67/67/87/783676787.db2.gz YXUOWAUGZWNXOS-CVEARBPZSA-N 1 3 344.463 0.682 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275503 783780283 /nfs/dbraw/zinc/78/02/83/783780283.db2.gz PPEWHZKQJCLZDB-OAGGEKHMSA-N 1 3 332.452 0.538 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491625 784184170 /nfs/dbraw/zinc/18/41/70/784184170.db2.gz WAQGVGHAUQAZEC-CGTJXYLNSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491625 784184172 /nfs/dbraw/zinc/18/41/72/784184172.db2.gz WAQGVGHAUQAZEC-CGTJXYLNSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001070649218 784496042 /nfs/dbraw/zinc/49/60/42/784496042.db2.gz VBMMRATWWJIANQ-BRWVUGGUSA-N 1 3 341.459 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654195 784504212 /nfs/dbraw/zinc/50/42/12/784504212.db2.gz ANBKOFQINAWYKP-BRWVUGGUSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654195 784504221 /nfs/dbraw/zinc/50/42/21/784504221.db2.gz ANBKOFQINAWYKP-BRWVUGGUSA-N 1 3 343.475 0.812 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267491900 837559075 /nfs/dbraw/zinc/55/90/75/837559075.db2.gz PNSWUBZVJQBNGH-CYBMUJFWSA-N 1 3 333.436 0.471 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC(=O)N(C)CC)C2CC2)CC1 ZINC001266445522 835848764 /nfs/dbraw/zinc/84/87/64/835848764.db2.gz SOYRCWCPDGWWPR-KRWDZBQOSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266712883 836186327 /nfs/dbraw/zinc/18/63/27/836186327.db2.gz HPWCJCQEHLTJJB-KFWWJZLASA-N 1 3 336.480 0.339 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881581 836430125 /nfs/dbraw/zinc/43/01/25/836430125.db2.gz YIOUFKRBLQKCCQ-CVEARBPZSA-N 1 3 346.475 0.191 20 30 ECEDHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)N1CCCC1 ZINC001267085136 836733679 /nfs/dbraw/zinc/73/36/79/836733679.db2.gz GTCUGTQOJKZKOU-GJZGRUSLSA-N 1 3 349.479 0.518 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001299167492 839002317 /nfs/dbraw/zinc/00/23/17/839002317.db2.gz RHVSYOXQVMEKKF-INIZCTEOSA-N 1 3 346.475 0.048 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001299167492 839002324 /nfs/dbraw/zinc/00/23/24/839002324.db2.gz RHVSYOXQVMEKKF-INIZCTEOSA-N 1 3 346.475 0.048 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000339951527 437528566 /nfs/dbraw/zinc/52/85/66/437528566.db2.gz YRRFYTMFFMHITM-UHFFFAOYSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000339669395 437488672 /nfs/dbraw/zinc/48/86/72/437488672.db2.gz BJLCBXHVWIWQLZ-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000423075071 438635833 /nfs/dbraw/zinc/63/58/33/438635833.db2.gz NKTBNVWVRWGRIN-UHFFFAOYSA-N 1 3 345.447 0.126 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000596691409 438990514 /nfs/dbraw/zinc/99/05/14/438990514.db2.gz ZCCMICLGZGQXFG-HOCLYGCPSA-N 1 3 325.457 0.318 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000596691409 438990519 /nfs/dbraw/zinc/99/05/19/438990519.db2.gz ZCCMICLGZGQXFG-HOCLYGCPSA-N 1 3 325.457 0.318 20 30 ECEDHO C=CC[C@@]1(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CCC[NH2+]1 ZINC000662716788 439857514 /nfs/dbraw/zinc/85/75/14/439857514.db2.gz WQOKYTJXOXLGTB-SFHVURJKSA-N 1 3 336.480 0.697 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000636675917 439989650 /nfs/dbraw/zinc/98/96/50/439989650.db2.gz CSBBLFICUZAYIJ-KRWDZBQOSA-N 1 3 348.491 0.886 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000659700948 440433279 /nfs/dbraw/zinc/43/32/79/440433279.db2.gz BYILDBLMOCZXIM-KOHRHEQBSA-N 1 3 348.491 0.751 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000672355863 548313595 /nfs/dbraw/zinc/31/35/95/548313595.db2.gz COZHKVSTJAMJFF-MRXNPFEDSA-N 1 3 336.480 0.742 20 30 ECEDHO CC(C)[C@H](C(=O)NCC#CCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC000681340654 549250875 /nfs/dbraw/zinc/25/08/75/549250875.db2.gz MSSQAMQMWRDZNX-HZPDHXFCSA-N 1 3 338.496 0.395 20 30 ECEDHO N#C[C@@H]1CNC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876801912 590416502 /nfs/dbraw/zinc/41/65/02/590416502.db2.gz KHQNBWWQCWATEX-SJORKVTESA-N 1 3 341.459 0.598 20 30 ECEDHO C=CCNC(=O)CN(C)[C@H]1CC[C@H]([N@H+](C)CC(=O)NCC=C)CC1 ZINC000886393886 590838513 /nfs/dbraw/zinc/83/85/13/590838513.db2.gz HBXNDDKXXNTZKP-WKILWMFISA-N 1 3 336.480 0.766 20 30 ECEDHO C=CCNC(=O)CN(C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCC=C)CC1 ZINC000886393886 590838517 /nfs/dbraw/zinc/83/85/17/590838517.db2.gz HBXNDDKXXNTZKP-WKILWMFISA-N 1 3 336.480 0.766 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884642818 590881816 /nfs/dbraw/zinc/88/18/16/590881816.db2.gz REICUWOWSSUOLV-CVEARBPZSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000911235862 609829810 /nfs/dbraw/zinc/82/98/10/609829810.db2.gz JOHJLCNPDIGJCK-SFHVURJKSA-N 1 3 334.464 0.498 20 30 ECEDHO C#CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906297 610023539 /nfs/dbraw/zinc/02/35/39/610023539.db2.gz MJWSMPSONSOBKU-QGZVFWFLSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906297 610023542 /nfs/dbraw/zinc/02/35/42/610023542.db2.gz MJWSMPSONSOBKU-QGZVFWFLSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042886 731979231 /nfs/dbraw/zinc/97/92/31/731979231.db2.gz YKLOXIHRHLIASB-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042886 731979232 /nfs/dbraw/zinc/97/92/32/731979232.db2.gz YKLOXIHRHLIASB-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](CC#CC)CCO)CC2)CC1 ZINC001098572546 736281176 /nfs/dbraw/zinc/28/11/76/736281176.db2.gz NVFXMAKJIMWSHF-UHFFFAOYSA-N 1 3 345.487 0.640 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](CC#CC)CCO)CC2)CC1 ZINC001098572546 736281179 /nfs/dbraw/zinc/28/11/79/736281179.db2.gz NVFXMAKJIMWSHF-UHFFFAOYSA-N 1 3 345.487 0.640 20 30 ECEDHO C#CCCN1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590545 741916689 /nfs/dbraw/zinc/91/66/89/741916689.db2.gz BIMBNQZYCQWSNA-INIZCTEOSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001000994765 745960135 /nfs/dbraw/zinc/96/01/35/745960135.db2.gz WVUMCPCVDJXWLP-IRXDYDNUSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)[C@H]2C)CC1 ZINC000987574685 750977172 /nfs/dbraw/zinc/97/71/72/750977172.db2.gz GPBUCODDAMLUJP-NVXWUHKLSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546780 753127017 /nfs/dbraw/zinc/12/70/17/753127017.db2.gz FGKYOUXDCGFTRC-JQHSSLGASA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@H](C)C(N)=O)CC2)CC1 ZINC001168307896 754268568 /nfs/dbraw/zinc/26/85/68/754268568.db2.gz LFHHHCYWMVOLMD-CQSZACIVSA-N 1 3 334.464 0.082 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627827 755087271 /nfs/dbraw/zinc/08/72/71/755087271.db2.gz NSUIZFSQPBCNED-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627827 755087277 /nfs/dbraw/zinc/08/72/77/755087277.db2.gz NSUIZFSQPBCNED-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661980 755373004 /nfs/dbraw/zinc/37/30/04/755373004.db2.gz LUTLZRMNQUFSIU-RWQQGDIJSA-N 1 3 335.492 0.928 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282081 768065644 /nfs/dbraw/zinc/06/56/44/768065644.db2.gz SRBMIILMFCVDFG-INMHGKMJSA-N 1 3 338.496 0.559 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338164 766146846 /nfs/dbraw/zinc/14/68/46/766146846.db2.gz XHMUMDSGUYXHDC-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338164 766146850 /nfs/dbraw/zinc/14/68/50/766146850.db2.gz XHMUMDSGUYXHDC-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666712 768579060 /nfs/dbraw/zinc/57/90/60/768579060.db2.gz RGENMYHJYWSLHB-ARFHVFGLSA-N 1 3 336.480 0.315 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469681 771332599 /nfs/dbraw/zinc/33/25/99/771332599.db2.gz ILDCDSLVZGUMQH-IRXDYDNUSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001019814036 771829072 /nfs/dbraw/zinc/82/90/72/771829072.db2.gz QYOUGDOPWZKVIT-DLBZAZTESA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001045321635 775411108 /nfs/dbraw/zinc/41/11/08/775411108.db2.gz ZVNDDPTZPFABEX-DLBZAZTESA-N 1 3 346.475 0.191 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194581 783632279 /nfs/dbraw/zinc/63/22/79/783632279.db2.gz CUGWAXYLGXKEEB-XHSDSOJGSA-N 1 3 330.436 0.147 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)[C@H]2C)C1=O ZINC001074885398 788486808 /nfs/dbraw/zinc/48/68/08/788486808.db2.gz BEBHGUQELSPDBI-JONQDZQNSA-N 1 3 336.480 0.693 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881583 836430436 /nfs/dbraw/zinc/43/04/36/836430436.db2.gz YIOUFKRBLQKCCQ-HZPDHXFCSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001266995301 836579861 /nfs/dbraw/zinc/57/98/61/836579861.db2.gz QRPDCUFGLUKLID-HUUCEWRRSA-N 1 3 344.459 0.594 20 30 ECEDHO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267002214 836595848 /nfs/dbraw/zinc/59/58/48/836595848.db2.gz GSHXOXOWKTVFPZ-SJORKVTESA-N 1 3 348.491 0.438 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267044614 836671594 /nfs/dbraw/zinc/67/15/94/836671594.db2.gz KFZNLJNHQPCXCC-GJZGRUSLSA-N 1 3 334.464 0.047 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596921 837901795 /nfs/dbraw/zinc/90/17/95/837901795.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 1 3 338.496 0.798 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596921 837901807 /nfs/dbraw/zinc/90/18/07/837901807.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 1 3 338.496 0.798 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702713 838300455 /nfs/dbraw/zinc/30/04/55/838300455.db2.gz IJJQZDSDMZRZII-HZPDHXFCSA-N 1 3 346.475 0.000 20 30 ECEDHO CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000329646104 285187494 /nfs/dbraw/zinc/18/74/94/285187494.db2.gz IVBUIIVHKLVZAH-HNNXBMFYSA-N 1 3 325.501 0.858 20 30 ECEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262746953 254510228 /nfs/dbraw/zinc/51/02/28/254510228.db2.gz AQAUMDJAEPNRAN-CZUORRHYSA-N 1 3 325.526 0.825 20 30 ECEDHO C[C@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C1CCN(C)CC1 ZINC000330828948 254643854 /nfs/dbraw/zinc/64/38/54/254643854.db2.gz IHWVBGZJBIVBAI-INIZCTEOSA-N 1 3 335.496 0.849 20 30 ECEDHO C[C@H]1CN(CCC(=O)N(C)CCC#N)CC[N@H+]1C1CCN(C)CC1 ZINC000330828948 254643856 /nfs/dbraw/zinc/64/38/56/254643856.db2.gz IHWVBGZJBIVBAI-INIZCTEOSA-N 1 3 335.496 0.849 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000152377692 436727489 /nfs/dbraw/zinc/72/74/89/436727489.db2.gz IBWWTIPAMISCMA-KRWDZBQOSA-N 1 3 346.475 0.097 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000152377692 436727492 /nfs/dbraw/zinc/72/74/92/436727492.db2.gz IBWWTIPAMISCMA-KRWDZBQOSA-N 1 3 346.475 0.097 20 30 ECEDHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000264130786 437016428 /nfs/dbraw/zinc/01/64/28/437016428.db2.gz YAUKAANUMLJCQB-UHFFFAOYSA-N 1 3 332.452 0.241 20 30 ECEDHO C[NH+]=C(NCCCN1CCC[C@H]1C(=O)N(C)C)NCc1ccco1 ZINC000264051923 437015430 /nfs/dbraw/zinc/01/54/30/437015430.db2.gz MRIDCCGKPLLIQK-HNNXBMFYSA-N 1 3 335.452 0.887 20 30 ECEDHO NC(=O)C[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000341880662 303258111 /nfs/dbraw/zinc/25/81/11/303258111.db2.gz GRKAILLEOLPUJL-HOTGVXAUSA-N 1 3 334.464 0.450 20 30 ECEDHO NC(=O)C[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000341880662 303258114 /nfs/dbraw/zinc/25/81/14/303258114.db2.gz GRKAILLEOLPUJL-HOTGVXAUSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953325 437306256 /nfs/dbraw/zinc/30/62/56/437306256.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 1 3 339.484 0.345 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330139113 437458705 /nfs/dbraw/zinc/45/87/05/437458705.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 1 3 349.479 0.376 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330139113 437458709 /nfs/dbraw/zinc/45/87/09/437458709.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 1 3 349.479 0.376 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419724020 438368809 /nfs/dbraw/zinc/36/88/09/438368809.db2.gz GTZWLBUFYRSMKX-USXIJHARSA-N 1 3 348.491 0.729 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419734091 438369021 /nfs/dbraw/zinc/36/90/21/438369021.db2.gz VBJCTAUPUZRUQD-GOEBONIOSA-N 1 3 336.480 0.777 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000557732970 438803882 /nfs/dbraw/zinc/80/38/82/438803882.db2.gz JWQMIIQHSRPXBU-KRWDZBQOSA-N 1 3 348.491 0.840 20 30 ECEDHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773559 439128846 /nfs/dbraw/zinc/12/88/46/439128846.db2.gz DPLNLCSMQQQAHX-QZTJIDSGSA-N 1 3 347.459 0.980 20 30 ECEDHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773557 439129062 /nfs/dbraw/zinc/12/90/62/439129062.db2.gz DPLNLCSMQQQAHX-MSOLQXFVSA-N 1 3 347.459 0.980 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000490648914 439283079 /nfs/dbraw/zinc/28/30/79/439283079.db2.gz DCRMIBKROAZDQJ-INIZCTEOSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000491304225 439364525 /nfs/dbraw/zinc/36/45/25/439364525.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 1 3 329.444 0.695 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000491304225 439364527 /nfs/dbraw/zinc/36/45/27/439364527.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 1 3 329.444 0.695 20 30 ECEDHO N#Cc1ccc(N2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000600722175 439695607 /nfs/dbraw/zinc/69/56/07/439695607.db2.gz GTBFJIQNVDDBIA-KRWDZBQOSA-N 1 3 329.448 0.968 20 30 ECEDHO C=C(CNC(=O)CN(C)C1CCC1)CNC(=O)C[N@H+](C)C1CCC1 ZINC000630016236 440833085 /nfs/dbraw/zinc/83/30/85/440833085.db2.gz GEUGUWIAIOYXHF-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C=C(CNC(=O)CN(C)C1CCC1)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000630016236 440833089 /nfs/dbraw/zinc/83/30/89/440833089.db2.gz GEUGUWIAIOYXHF-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793720210 578937575 /nfs/dbraw/zinc/93/75/75/578937575.db2.gz QHQUHPNOAMUMPT-HNNXBMFYSA-N 1 3 336.480 0.744 20 30 ECEDHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCOCC1 ZINC000820086493 587508370 /nfs/dbraw/zinc/50/83/70/587508370.db2.gz GBXXGCMUXJPWIC-DOTOQJQBSA-N 1 3 338.496 0.986 20 30 ECEDHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCOCC1 ZINC000820086493 587508371 /nfs/dbraw/zinc/50/83/71/587508371.db2.gz GBXXGCMUXJPWIC-DOTOQJQBSA-N 1 3 338.496 0.986 20 30 ECEDHO C#CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000848221124 589283657 /nfs/dbraw/zinc/28/36/57/589283657.db2.gz PIFQEFQODAYBII-QGZVFWFLSA-N 1 3 349.475 0.864 20 30 ECEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000876841248 590418307 /nfs/dbraw/zinc/41/83/07/590418307.db2.gz NRIWAMTVZINXLP-NXEZZACHSA-N 1 3 328.766 0.409 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640915 610425940 /nfs/dbraw/zinc/42/59/40/610425940.db2.gz ISRXCSDGQYJZQJ-UHFFFAOYSA-N 1 3 332.492 0.877 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000929401063 611751706 /nfs/dbraw/zinc/75/17/06/611751706.db2.gz AEMHIJDTNOFVAU-INIZCTEOSA-N 1 3 348.491 0.533 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000929610348 611770505 /nfs/dbraw/zinc/77/05/05/611770505.db2.gz ZKNOVQOZNPXBAQ-INIZCTEOSA-N 1 3 348.491 0.533 20 30 ECEDHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104809838 740543570 /nfs/dbraw/zinc/54/35/70/740543570.db2.gz RKCFUGLYVBCWRL-HUUCEWRRSA-N 1 3 337.468 0.042 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001029003238 743156692 /nfs/dbraw/zinc/15/66/92/743156692.db2.gz JPPKGOIHAFIJJU-MRXNPFEDSA-N 1 3 344.463 0.061 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001029003238 743156697 /nfs/dbraw/zinc/15/66/97/743156697.db2.gz JPPKGOIHAFIJJU-MRXNPFEDSA-N 1 3 344.463 0.061 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218049 743195539 /nfs/dbraw/zinc/19/55/39/743195539.db2.gz WQTVDXXFWZLWOQ-HZPDHXFCSA-N 1 3 334.464 0.307 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000997364389 743535941 /nfs/dbraw/zinc/53/59/41/743535941.db2.gz MMISJEUYIRBPPP-UHFFFAOYSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn4cncc4c3)nn2)C1 ZINC001000005144 745172245 /nfs/dbraw/zinc/17/22/45/745172245.db2.gz ZKMBOTWFHJNDTP-INIZCTEOSA-N 1 3 349.398 0.736 20 30 ECEDHO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn4cncc4c3)nn2)C1 ZINC001000005144 745172248 /nfs/dbraw/zinc/17/22/48/745172248.db2.gz ZKMBOTWFHJNDTP-INIZCTEOSA-N 1 3 349.398 0.736 20 30 ECEDHO C#CCN1CCC(C(=O)NCc2cn([C@H]3CC[N@@H+](CC)C3)nn2)CC1 ZINC001000046878 745228067 /nfs/dbraw/zinc/22/80/67/745228067.db2.gz WZEUHIIYVRVQTI-KRWDZBQOSA-N 1 3 344.463 0.506 20 30 ECEDHO C#CCN1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CC)C3)nn2)CC1 ZINC001000046878 745228074 /nfs/dbraw/zinc/22/80/74/745228074.db2.gz WZEUHIIYVRVQTI-KRWDZBQOSA-N 1 3 344.463 0.506 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)C1=O ZINC001087829586 746438765 /nfs/dbraw/zinc/43/87/65/746438765.db2.gz LZQXUMLIHXWVQG-GVDBMIGSSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)C1=O ZINC001087829586 746438769 /nfs/dbraw/zinc/43/87/69/746438769.db2.gz LZQXUMLIHXWVQG-GVDBMIGSSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC000984802906 746973728 /nfs/dbraw/zinc/97/37/28/746973728.db2.gz FHKRSZZJIYLJEB-QBPKDAKJSA-N 1 3 348.491 0.600 20 30 ECEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047249 747144953 /nfs/dbraw/zinc/14/49/53/747144953.db2.gz NTAHROMQYZURFT-ASLPWWTFSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047249 747144957 /nfs/dbraw/zinc/14/49/57/747144957.db2.gz NTAHROMQYZURFT-ASLPWWTFSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC000979084084 747150156 /nfs/dbraw/zinc/15/01/56/747150156.db2.gz DFYXOBVVLXRLPE-DSLXNQLJSA-N 1 3 345.487 0.662 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC000979084084 747150159 /nfs/dbraw/zinc/15/01/59/747150159.db2.gz DFYXOBVVLXRLPE-DSLXNQLJSA-N 1 3 345.487 0.662 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC000985155337 747479852 /nfs/dbraw/zinc/47/98/52/747479852.db2.gz VZQGOYYOQIYDEP-KOMQPUFPSA-N 1 3 344.463 0.145 20 30 ECEDHO C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCC[C@@H](C)C1 ZINC000303908243 748177575 /nfs/dbraw/zinc/17/75/75/748177575.db2.gz XJILRHSWMVZYTM-HZPDHXFCSA-N 1 3 325.501 0.733 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001021092015 752532245 /nfs/dbraw/zinc/53/22/45/752532245.db2.gz BGCBONOKXKXIHH-IYARVYRRSA-N 1 3 343.475 0.811 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC000989828527 754497698 /nfs/dbraw/zinc/49/76/98/754497698.db2.gz FDUDYCYASLNWKQ-CRAIPNDOSA-N 1 3 343.475 0.844 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001054298397 767907520 /nfs/dbraw/zinc/90/75/20/767907520.db2.gz HNFXCCKXACRETM-OAGGEKHMSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC001050696679 760680717 /nfs/dbraw/zinc/68/07/17/760680717.db2.gz YRSGDWMEMMDEJX-UHFFFAOYSA-N 1 3 329.448 0.616 20 30 ECEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572943 764782303 /nfs/dbraw/zinc/78/23/03/764782303.db2.gz RDIZQVREHFYRDC-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572943 764782310 /nfs/dbraw/zinc/78/23/10/764782310.db2.gz RDIZQVREHFYRDC-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573525 764783806 /nfs/dbraw/zinc/78/38/06/764783806.db2.gz XVSLKINVPWDLAL-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573525 764783811 /nfs/dbraw/zinc/78/38/11/764783811.db2.gz XVSLKINVPWDLAL-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001046035788 766723095 /nfs/dbraw/zinc/72/30/95/766723095.db2.gz SRMPLMDWDNITSY-OALUTQOASA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035788 766723098 /nfs/dbraw/zinc/72/30/98/766723098.db2.gz SRMPLMDWDNITSY-OALUTQOASA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069995 766870979 /nfs/dbraw/zinc/87/09/79/766870979.db2.gz LBPYURCGDOPNPT-SFHVURJKSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270252 780946294 /nfs/dbraw/zinc/94/62/94/780946294.db2.gz JHVKALZPSHOTLV-DLBZAZTESA-N 1 3 343.471 0.655 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070500818 784197123 /nfs/dbraw/zinc/19/71/23/784197123.db2.gz JHMHMCHDAWZMEU-UAGQMJEPSA-N 1 3 329.448 0.278 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001070649306 784496192 /nfs/dbraw/zinc/49/61/92/784496192.db2.gz ZFCCVMODLDQNPU-KLHDSHLOSA-N 1 3 329.448 0.278 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001070649306 784496195 /nfs/dbraw/zinc/49/61/95/784496195.db2.gz ZFCCVMODLDQNPU-KLHDSHLOSA-N 1 3 329.448 0.278 20 30 ECEDHO CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001267391901 837339692 /nfs/dbraw/zinc/33/96/92/837339692.db2.gz UXNRINPWOIQEJR-OAHLLOKOSA-N 1 3 337.468 0.281 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264075579 254513352 /nfs/dbraw/zinc/51/33/52/254513352.db2.gz FONYXQOWOLFVAH-ZDUSSCGKSA-N 1 3 339.465 0.223 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103121217 436553668 /nfs/dbraw/zinc/55/36/68/436553668.db2.gz CKOHBHJHQVRGNP-UHFFFAOYSA-N 1 3 346.475 0.098 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000264060948 437014967 /nfs/dbraw/zinc/01/49/67/437014967.db2.gz CUWPGURJLBYZBF-SNVBAGLBSA-N 1 3 345.494 0.284 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000287228610 437171815 /nfs/dbraw/zinc/17/18/15/437171815.db2.gz NWPSGFVDOJQKPB-CYBMUJFWSA-N 1 3 339.465 0.223 20 30 ECEDHO NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=[NH2+])NC3CC3)c2)C1 ZINC000267411959 437326530 /nfs/dbraw/zinc/32/65/30/437326530.db2.gz IMLHBUKQOBQKAL-OAHLLOKOSA-N 1 3 329.448 0.951 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339644445 437482898 /nfs/dbraw/zinc/48/28/98/437482898.db2.gz OEBUMTNDYIVVIS-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426552 438385745 /nfs/dbraw/zinc/38/57/45/438385745.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 1 3 337.468 0.099 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000875182563 590279193 /nfs/dbraw/zinc/27/91/93/590279193.db2.gz ROURVEWQNPTGGU-UHFFFAOYSA-N 1 3 336.480 0.696 20 30 ECEDHO C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000104168039 591052751 /nfs/dbraw/zinc/05/27/51/591052751.db2.gz OCLGWAYMKOHLQI-CVEARBPZSA-N 1 3 325.501 0.604 20 30 ECEDHO CC(C)[N@@H+]1CC[C@H](C(=O)NCC#CCN(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523718 609684318 /nfs/dbraw/zinc/68/43/18/609684318.db2.gz JRMRICWJSJMGPB-ZWKOTPCHSA-N 1 3 345.491 0.915 20 30 ECEDHO CC(C)[N@H+]1CC[C@H](C(=O)NCC#CCN(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523718 609684321 /nfs/dbraw/zinc/68/43/21/609684321.db2.gz JRMRICWJSJMGPB-ZWKOTPCHSA-N 1 3 345.491 0.915 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CCN(C)CC1 ZINC000910886030 609773826 /nfs/dbraw/zinc/77/38/26/609773826.db2.gz JEIBBLAXOSRWGB-WBVHZDCISA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CCN(C)CC1 ZINC000910886030 609773827 /nfs/dbraw/zinc/77/38/27/609773827.db2.gz JEIBBLAXOSRWGB-WBVHZDCISA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)N(C)CCN1CCCCC1)C1CC[NH+](C)CC1 ZINC000910888092 609774105 /nfs/dbraw/zinc/77/41/05/609774105.db2.gz XGMZDFFICJKXAK-UHFFFAOYSA-N 1 3 348.491 0.487 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167237190 733083427 /nfs/dbraw/zinc/08/34/27/733083427.db2.gz WUCLGUMSVXITLX-UHFFFAOYSA-N 1 3 348.491 0.344 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970490714 733609687 /nfs/dbraw/zinc/60/96/87/733609687.db2.gz XUALHQCYGANCKC-HUUCEWRRSA-N 1 3 332.448 0.060 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291741 734006002 /nfs/dbraw/zinc/00/60/02/734006002.db2.gz SQUHUHYKAFNUPU-QGPMSJSTSA-N 1 3 348.491 0.150 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001023128346 736523426 /nfs/dbraw/zinc/52/34/26/736523426.db2.gz ACQYQUWQFGACJB-NXHRZFHOSA-N 1 3 333.476 0.995 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536006 745299445 /nfs/dbraw/zinc/29/94/45/745299445.db2.gz LRJXHWCNTYQCLS-KSSFIOAISA-N 1 3 345.447 0.473 20 30 ECEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978163983 745977079 /nfs/dbraw/zinc/97/70/79/745977079.db2.gz BXFASVNRRYOCIG-QQXKLLMISA-N 1 3 345.487 0.661 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168681 /nfs/dbraw/zinc/16/86/81/746168681.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 1 3 331.460 0.842 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168684 /nfs/dbraw/zinc/16/86/84/746168684.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 1 3 331.460 0.842 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255156 749261191 /nfs/dbraw/zinc/26/11/91/749261191.db2.gz PBGGYSAIBNPSFJ-GBESFXJTSA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255156 749261196 /nfs/dbraw/zinc/26/11/96/749261196.db2.gz PBGGYSAIBNPSFJ-GBESFXJTSA-N 1 3 347.503 0.931 20 30 ECEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@H]1CCN(C2CC2)C1 ZINC000262746954 749621360 /nfs/dbraw/zinc/62/13/60/749621360.db2.gz AQAUMDJAEPNRAN-XJKSGUPXSA-N 1 3 325.526 0.825 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)[C@H]2C)CC1 ZINC000987579043 750981208 /nfs/dbraw/zinc/98/12/08/750981208.db2.gz ZPYANLKPIIDDJT-QAPCUYQASA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C[C@H]2C)CC1 ZINC000989828496 754497497 /nfs/dbraw/zinc/49/74/97/754497497.db2.gz DSSVWXKXYRSSEB-NVXWUHKLSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105656813 755207465 /nfs/dbraw/zinc/20/74/65/755207465.db2.gz UEYXKWZXHSKOFK-PSBWJHGTSA-N 1 3 344.459 0.942 20 30 ECEDHO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001107146087 757037427 /nfs/dbraw/zinc/03/74/27/757037427.db2.gz VCWWNNYVHJSTSI-INIZCTEOSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146087 757037432 /nfs/dbraw/zinc/03/74/32/757037432.db2.gz VCWWNNYVHJSTSI-INIZCTEOSA-N 1 3 332.452 0.811 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046087407 766930073 /nfs/dbraw/zinc/93/00/73/766930073.db2.gz WQQTZAGANSCCFO-SFHVURJKSA-N 1 3 332.492 0.714 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273927 783777988 /nfs/dbraw/zinc/77/79/88/783777988.db2.gz KWFJCLMDEWUYBX-XHSDSOJGSA-N 1 3 332.452 0.680 20 30 ECEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266377534 835789742 /nfs/dbraw/zinc/78/97/42/835789742.db2.gz XWFINWCCWTWHBO-MRXNPFEDSA-N 1 3 333.476 0.949 20 30 ECEDHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)N1CCCCC1 ZINC001266685653 836140579 /nfs/dbraw/zinc/14/05/79/836140579.db2.gz KQYAEGVPOSIJMD-OKILXGFUSA-N 1 3 335.452 0.127 20 30 ECEDHO C=CCNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267745670 838451943 /nfs/dbraw/zinc/45/19/43/838451943.db2.gz ASXPPRGEDFSCCH-OAHLLOKOSA-N 1 3 338.496 0.799 20 30 ECEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267955124 838857996 /nfs/dbraw/zinc/85/79/96/838857996.db2.gz JPHBZOCDCGZABI-HUUCEWRRSA-N 1 3 335.452 0.080 20 30 ECEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267955124 838858006 /nfs/dbraw/zinc/85/80/06/838858006.db2.gz JPHBZOCDCGZABI-HUUCEWRRSA-N 1 3 335.452 0.080 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001268040909 839153552 /nfs/dbraw/zinc/15/35/52/839153552.db2.gz DCUGONJVGOKSDF-CABCVRRESA-N 1 3 336.480 0.483 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000293529809 436884202 /nfs/dbraw/zinc/88/42/02/436884202.db2.gz ZVVUHZAVWGVZJV-UHFFFAOYSA-N 1 3 344.459 0.801 20 30 ECEDHO C[C@@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C1CCN(C)CC1 ZINC000330828949 437626978 /nfs/dbraw/zinc/62/69/78/437626978.db2.gz IHWVBGZJBIVBAI-MRXNPFEDSA-N 1 3 335.496 0.849 20 30 ECEDHO C[C@@H]1CN(CCC(=O)N(C)CCC#N)CC[N@H+]1C1CCN(C)CC1 ZINC000330828949 437626983 /nfs/dbraw/zinc/62/69/83/437626983.db2.gz IHWVBGZJBIVBAI-MRXNPFEDSA-N 1 3 335.496 0.849 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000343737047 437642703 /nfs/dbraw/zinc/64/27/03/437642703.db2.gz HOQQCCURMGKECR-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000343737047 437642705 /nfs/dbraw/zinc/64/27/05/437642705.db2.gz HOQQCCURMGKECR-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000343764517 437649960 /nfs/dbraw/zinc/64/99/60/437649960.db2.gz LUBZGAVDLNHHOQ-JKSUJKDBSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000419727098 438370192 /nfs/dbraw/zinc/37/01/92/438370192.db2.gz KVWMYFHOTXLDTO-CABCVRRESA-N 1 3 336.480 0.586 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419731881 438370465 /nfs/dbraw/zinc/37/04/65/438370465.db2.gz RRKKAPHDHUXFHT-INIZCTEOSA-N 1 3 336.480 0.777 20 30 ECEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000578006807 438888264 /nfs/dbraw/zinc/88/82/64/438888264.db2.gz UEWGHRBRFJDOFJ-KZNAEPCWSA-N 1 3 338.496 0.550 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCN(CC#N)CC1 ZINC000596275216 438948787 /nfs/dbraw/zinc/94/87/87/438948787.db2.gz LVYYGQLIDGJXQS-HNNXBMFYSA-N 1 3 338.500 0.546 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCN(CC#N)CC1 ZINC000596275216 438948791 /nfs/dbraw/zinc/94/87/91/438948791.db2.gz LVYYGQLIDGJXQS-HNNXBMFYSA-N 1 3 338.500 0.546 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000491793139 439450731 /nfs/dbraw/zinc/45/07/31/439450731.db2.gz JIRZZJNAMROFAZ-MRXNPFEDSA-N 1 3 336.480 0.836 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000491793139 439450739 /nfs/dbraw/zinc/45/07/39/439450739.db2.gz JIRZZJNAMROFAZ-MRXNPFEDSA-N 1 3 336.480 0.836 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C#N)CCOC3)CC2)CC1 ZINC000572615424 439596965 /nfs/dbraw/zinc/59/69/65/439596965.db2.gz ZXYVNTZXHQAOLD-GOSISDBHSA-N 1 3 334.464 0.982 20 30 ECEDHO C#CCN1CC[C@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001041734310 782079881 /nfs/dbraw/zinc/07/98/81/782079881.db2.gz TVGWIBNBBBNJFW-SFHVURJKSA-N 1 3 329.448 0.616 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000895666871 586196968 /nfs/dbraw/zinc/19/69/68/586196968.db2.gz UDOKDYJQDFUDFO-GOEBONIOSA-N 1 3 325.457 0.582 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000895666871 586196971 /nfs/dbraw/zinc/19/69/71/586196971.db2.gz UDOKDYJQDFUDFO-GOEBONIOSA-N 1 3 325.457 0.582 20 30 ECEDHO N#C[C@H]1CNC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000844195468 589102418 /nfs/dbraw/zinc/10/24/18/589102418.db2.gz UJSHFRCNPCZKLS-RDJZCZTQSA-N 1 3 327.432 0.426 20 30 ECEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000876748939 590409161 /nfs/dbraw/zinc/40/91/61/590409161.db2.gz JHEPLEYCWBYDOR-CHWSQXEVSA-N 1 3 330.860 0.515 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884642957 590882013 /nfs/dbraw/zinc/88/20/13/590882013.db2.gz UDLMCNOCUQPIBH-GFCCVEGCSA-N 1 3 344.406 0.114 20 30 ECEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000917140159 609962837 /nfs/dbraw/zinc/96/28/37/609962837.db2.gz KRSYAPWEAKNKIK-CQSZACIVSA-N 1 3 327.436 0.717 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC000939808889 610136134 /nfs/dbraw/zinc/13/61/34/610136134.db2.gz GVPIKTNIJQBLLI-CRAIPNDOSA-N 1 3 343.475 0.702 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566322 610386221 /nfs/dbraw/zinc/38/62/21/610386221.db2.gz BNMBYFIYHUQHNJ-FUHWJXTLSA-N 1 3 334.508 0.979 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566322 610386224 /nfs/dbraw/zinc/38/62/24/610386224.db2.gz BNMBYFIYHUQHNJ-FUHWJXTLSA-N 1 3 334.508 0.979 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969965178 732563748 /nfs/dbraw/zinc/56/37/48/732563748.db2.gz NSEPRXYEVFVATD-CVEARBPZSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287811 733730087 /nfs/dbraw/zinc/73/00/87/733730087.db2.gz LLHGGZPHJCNWOY-HZPDHXFCSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2O)CC1 ZINC001078227178 782523620 /nfs/dbraw/zinc/52/36/20/782523620.db2.gz MVQBSPLVUYIVMT-IAGOWNOFSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2O)CC1 ZINC001078227178 782523626 /nfs/dbraw/zinc/52/36/26/782523626.db2.gz MVQBSPLVUYIVMT-IAGOWNOFSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690333 739489278 /nfs/dbraw/zinc/48/92/78/739489278.db2.gz FAUJGHVSATWMJF-OAGGEKHMSA-N 1 3 336.480 0.150 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732289 739569075 /nfs/dbraw/zinc/56/90/75/739569075.db2.gz RQOVFODDJZORTR-QLFBSQMISA-N 1 3 347.463 0.717 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261597356 751752335 /nfs/dbraw/zinc/75/23/35/751752335.db2.gz AADBVHIFCWNOMB-AWEZNQCLSA-N 1 3 345.513 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)CC1 ZINC000997433438 743612987 /nfs/dbraw/zinc/61/29/87/743612987.db2.gz GYOMZEDDIGSSKZ-MRXNPFEDSA-N 1 3 335.492 0.931 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020588746 751850224 /nfs/dbraw/zinc/85/02/24/751850224.db2.gz LAEWNBUMBFORSR-FPCVCCKLSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000982282809 751860209 /nfs/dbraw/zinc/86/02/09/751860209.db2.gz ICEDEUIYYBGQJP-OGWHTMIXSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000982282809 751860216 /nfs/dbraw/zinc/86/02/16/751860216.db2.gz ICEDEUIYYBGQJP-OGWHTMIXSA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079854 745248499 /nfs/dbraw/zinc/24/84/99/745248499.db2.gz BXVJUTPBTNUGKQ-IAGOWNOFSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000711753 745715686 /nfs/dbraw/zinc/71/56/86/745715686.db2.gz PPJWYLMIRPOXBG-JKSUJKDBSA-N 1 3 346.475 0.450 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCn3cccn3)CC2)CC1 ZINC001004202302 749309743 /nfs/dbraw/zinc/30/97/43/749309743.db2.gz YSJRKRIZOBGTAJ-UHFFFAOYSA-N 1 3 343.475 0.809 20 30 ECEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262819299 749848088 /nfs/dbraw/zinc/84/80/88/749848088.db2.gz WRXKIOJXNBNMKA-DOTOQJQBSA-N 1 3 337.537 0.945 20 30 ECEDHO C=CCCCN1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107236514 758026383 /nfs/dbraw/zinc/02/63/83/758026383.db2.gz ZPYADPHHMNWEPE-UHFFFAOYSA-N 1 3 332.452 0.813 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC3CCOCC3)C2)CC1 ZINC001032207246 759629953 /nfs/dbraw/zinc/62/99/53/759629953.db2.gz JMNKZDZKOSJLGH-UHFFFAOYSA-N 1 3 333.476 0.806 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066465 760693592 /nfs/dbraw/zinc/69/35/92/760693592.db2.gz PGNXKNQOABFSQX-HNNXBMFYSA-N 1 3 337.468 0.327 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066465 760693599 /nfs/dbraw/zinc/69/35/99/760693599.db2.gz PGNXKNQOABFSQX-HNNXBMFYSA-N 1 3 337.468 0.327 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077258 766906627 /nfs/dbraw/zinc/90/66/27/766906627.db2.gz UEBHFVYJLVNQEH-QGZVFWFLSA-N 1 3 330.476 0.324 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079257972 780931054 /nfs/dbraw/zinc/93/10/54/780931054.db2.gz HEMGHSNINUSGSM-ZWKOTPCHSA-N 1 3 345.487 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)CCCO2)CC1 ZINC001073899425 787474640 /nfs/dbraw/zinc/47/46/40/787474640.db2.gz STKXWRYHTICKHF-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCCO2)CC1 ZINC001073899425 787474648 /nfs/dbraw/zinc/47/46/48/787474648.db2.gz STKXWRYHTICKHF-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001268040911 839153498 /nfs/dbraw/zinc/15/34/98/839153498.db2.gz DCUGONJVGOKSDF-HUUCEWRRSA-N 1 3 336.480 0.483 20 30 ECEDHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000329820052 298245648 /nfs/dbraw/zinc/24/56/48/298245648.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 1 3 325.501 0.856 20 30 ECEDHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000329820052 298245652 /nfs/dbraw/zinc/24/56/52/298245652.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 1 3 325.501 0.856 20 30 ECEDHO COC[C@H](C)NC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000104181860 436557356 /nfs/dbraw/zinc/55/73/56/436557356.db2.gz QPWIYCQOBOHYCY-ZDUSSCGKSA-N 1 3 335.452 0.417 20 30 ECEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000271123606 436677465 /nfs/dbraw/zinc/67/74/65/436677465.db2.gz JHWAZAIORDIGAV-RDJZCZTQSA-N 1 3 338.496 0.901 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130578901 436837792 /nfs/dbraw/zinc/83/77/92/436837792.db2.gz PIRRKUHFMQXBQC-UHFFFAOYSA-N 1 3 331.420 0.449 20 30 ECEDHO NC(=O)C[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000341880663 303261321 /nfs/dbraw/zinc/26/13/21/303261321.db2.gz GRKAILLEOLPUJL-HZPDHXFCSA-N 1 3 334.464 0.450 20 30 ECEDHO NC(=O)C[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000341880663 303261324 /nfs/dbraw/zinc/26/13/24/303261324.db2.gz GRKAILLEOLPUJL-HZPDHXFCSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000417063543 438018863 /nfs/dbraw/zinc/01/88/63/438018863.db2.gz NUAXFQKKBCBSQX-IRXDYDNUSA-N 1 3 337.512 0.888 20 30 ECEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)CC1 ZINC000358327668 438202016 /nfs/dbraw/zinc/20/20/16/438202016.db2.gz JXWGTHJXMRUOFX-MRXNPFEDSA-N 1 3 335.452 0.479 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471185 438263562 /nfs/dbraw/zinc/26/35/62/438263562.db2.gz ILNPAOIIGRWMMZ-WCVJEAGWSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471185 438263565 /nfs/dbraw/zinc/26/35/65/438263565.db2.gz ILNPAOIIGRWMMZ-WCVJEAGWSA-N 1 3 334.464 0.161 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000419564725 438363419 /nfs/dbraw/zinc/36/34/19/438363419.db2.gz CUVAMYMOHKMMFK-HOTGVXAUSA-N 1 3 336.480 0.622 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000514668484 438824357 /nfs/dbraw/zinc/82/43/57/438824357.db2.gz DYOXKEDNAHWKPB-KRWDZBQOSA-N 1 3 346.475 0.914 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000491297947 439365088 /nfs/dbraw/zinc/36/50/88/439365088.db2.gz SNKQBUDAFNGJIN-UHFFFAOYSA-N 1 3 336.480 0.695 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000491297947 439365093 /nfs/dbraw/zinc/36/50/93/439365093.db2.gz SNKQBUDAFNGJIN-UHFFFAOYSA-N 1 3 336.480 0.695 20 30 ECEDHO C=C(CNC(=O)CN1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000620749646 546451053 /nfs/dbraw/zinc/45/10/53/546451053.db2.gz HXIDSTPAVDCQEF-GJZGRUSLSA-N 1 3 336.480 0.459 20 30 ECEDHO C=C(CNC(=O)CN1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000620749646 546451055 /nfs/dbraw/zinc/45/10/55/546451055.db2.gz HXIDSTPAVDCQEF-GJZGRUSLSA-N 1 3 336.480 0.459 20 30 ECEDHO C#CCC[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000798396031 578645059 /nfs/dbraw/zinc/64/50/59/578645059.db2.gz ROSIXYHBYWHXDA-KRWDZBQOSA-N 1 3 336.480 0.619 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510497 586781047 /nfs/dbraw/zinc/78/10/47/586781047.db2.gz QZYPXCFDHBSECF-BMFZPTHFSA-N 1 3 349.479 0.287 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510497 586781048 /nfs/dbraw/zinc/78/10/48/586781048.db2.gz QZYPXCFDHBSECF-BMFZPTHFSA-N 1 3 349.479 0.287 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000838622261 586818584 /nfs/dbraw/zinc/81/85/84/586818584.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 1 3 335.496 0.363 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000838622261 586818587 /nfs/dbraw/zinc/81/85/87/586818587.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 1 3 335.496 0.363 20 30 ECEDHO N#Cc1ccc([C@@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003258 587463954 /nfs/dbraw/zinc/46/39/54/587463954.db2.gz CNTGEUIPBONTPH-IRXDYDNUSA-N 1 3 330.432 0.769 20 30 ECEDHO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CNC[C@H]3C#N)CC2)c1 ZINC000844195461 589102313 /nfs/dbraw/zinc/10/23/13/589102313.db2.gz UFPAISKCHSYEOV-AEFFLSMTSA-N 1 3 341.459 0.735 20 30 ECEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864703 589519441 /nfs/dbraw/zinc/51/94/41/589519441.db2.gz FHFLHOSHSUNJDO-INIZCTEOSA-N 1 3 334.464 0.048 20 30 ECEDHO C#CCC1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000883770462 590664040 /nfs/dbraw/zinc/66/40/40/590664040.db2.gz RKRCYHJTOOXZEU-INIZCTEOSA-N 1 3 338.496 0.818 20 30 ECEDHO C#CCC1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000883770462 590664043 /nfs/dbraw/zinc/66/40/43/590664043.db2.gz RKRCYHJTOOXZEU-INIZCTEOSA-N 1 3 338.496 0.818 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884643144 590881954 /nfs/dbraw/zinc/88/19/54/590881954.db2.gz YKAIVAXXFHVRDN-OAHLLOKOSA-N 1 3 336.480 0.647 20 30 ECEDHO C=C(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000908164493 609646108 /nfs/dbraw/zinc/64/61/08/609646108.db2.gz NPRGGQHPWDIVNN-MQVJKMGUSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000923324397 611229794 /nfs/dbraw/zinc/22/97/94/611229794.db2.gz GUUYWKKBAOOKAK-GOSISDBHSA-N 1 3 348.491 0.979 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001023128586 736524031 /nfs/dbraw/zinc/52/40/31/736524031.db2.gz LDABIPUBAMGUNB-IYBDPMFKSA-N 1 3 329.448 0.502 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500658 736926441 /nfs/dbraw/zinc/92/64/41/736926441.db2.gz XIYVEMXCOYAKAG-WPZCVXBKSA-N 1 3 331.460 0.701 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500658 736926445 /nfs/dbraw/zinc/92/64/45/736926445.db2.gz XIYVEMXCOYAKAG-WPZCVXBKSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001025629554 739794721 /nfs/dbraw/zinc/79/47/21/739794721.db2.gz IIOURKYKNMKMFN-FUHWJXTLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629554 739794726 /nfs/dbraw/zinc/79/47/26/739794726.db2.gz IIOURKYKNMKMFN-FUHWJXTLSA-N 1 3 335.492 0.931 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091559 742525559 /nfs/dbraw/zinc/52/55/59/742525559.db2.gz PCKPPXKMUFEWAI-ZFWWWQNUSA-N 1 3 331.420 0.177 20 30 ECEDHO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261962335 743188697 /nfs/dbraw/zinc/18/86/97/743188697.db2.gz KOKXRKDZPRWPQC-USXIJHARSA-N 1 3 336.528 0.270 20 30 ECEDHO C[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262010090 743421854 /nfs/dbraw/zinc/42/18/54/743421854.db2.gz WLFCOIIIXCJGSZ-YQQAZPJKSA-N 1 3 336.528 0.270 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000997435601 743615483 /nfs/dbraw/zinc/61/54/83/743615483.db2.gz WJVANGUCNUXXAC-JKSUJKDBSA-N 1 3 335.492 0.929 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000305776326 748401526 /nfs/dbraw/zinc/40/15/26/748401526.db2.gz OJMUTBADGPCNAB-MGPQQGTHSA-N 1 3 325.457 0.011 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262659769 749221742 /nfs/dbraw/zinc/22/17/42/749221742.db2.gz MQBBYZOXFDACBD-ZIAGYGMSSA-N 1 3 345.513 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001021092279 752532268 /nfs/dbraw/zinc/53/22/68/752532268.db2.gz IOCJCRSDNAUXOY-QAQDUYKDSA-N 1 3 329.448 0.502 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000990276872 754931955 /nfs/dbraw/zinc/93/19/55/754931955.db2.gz KIALTURXORHZRV-HOTGVXAUSA-N 1 3 334.464 0.448 20 30 ECEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659930 763143603 /nfs/dbraw/zinc/14/36/03/763143603.db2.gz PEENGUIAMZSCLP-BZUAXINKSA-N 1 3 338.496 0.846 20 30 ECEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659930 763143608 /nfs/dbraw/zinc/14/36/08/763143608.db2.gz PEENGUIAMZSCLP-BZUAXINKSA-N 1 3 338.496 0.846 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046895726 763327239 /nfs/dbraw/zinc/32/72/39/763327239.db2.gz ABOVJOSBLHNGOP-YJBOKZPZSA-N 1 3 345.447 0.567 20 30 ECEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106339636 768165087 /nfs/dbraw/zinc/16/50/87/768165087.db2.gz WYXQQCAXDLADKY-ZIAGYGMSSA-N 1 3 337.468 0.041 20 30 ECEDHO COCC#CCNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570678 766976247 /nfs/dbraw/zinc/97/62/47/766976247.db2.gz BTMQNQYQSJCVOG-SJORKVTESA-N 1 3 337.464 0.089 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207700 783658966 /nfs/dbraw/zinc/65/89/66/783658966.db2.gz JYRUVXIMACYSEP-ZACQAIPSSA-N 1 3 346.479 0.784 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207700 783658971 /nfs/dbraw/zinc/65/89/71/783658971.db2.gz JYRUVXIMACYSEP-ZACQAIPSSA-N 1 3 346.479 0.784 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070529860 784234454 /nfs/dbraw/zinc/23/44/54/784234454.db2.gz GDBZZTMABHHUPB-USXIJHARSA-N 1 3 331.464 0.524 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267491902 837559001 /nfs/dbraw/zinc/55/90/01/837559001.db2.gz PNSWUBZVJQBNGH-ZDUSSCGKSA-N 1 3 333.436 0.471 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444763 835848486 /nfs/dbraw/zinc/84/84/86/835848486.db2.gz DQIHCDSDUUQNBR-IAGOWNOFSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCc2ccnn2C)CC1 ZINC001267154417 836860958 /nfs/dbraw/zinc/86/09/58/836860958.db2.gz CVNGAJFUQXBPDI-INIZCTEOSA-N 1 3 345.491 0.792 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000340268939 437615865 /nfs/dbraw/zinc/61/58/65/437615865.db2.gz WQCTTWPZUMTOOU-OAHLLOKOSA-N 1 3 336.480 0.744 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OCCOC ZINC000264125198 437017586 /nfs/dbraw/zinc/01/75/86/437017586.db2.gz WFNABROOKYEPLP-OAHLLOKOSA-N 1 3 335.452 0.995 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000304805836 437159632 /nfs/dbraw/zinc/15/96/32/437159632.db2.gz DAFCMINMHRRIOD-ZDUSSCGKSA-N 1 3 325.457 0.994 20 30 ECEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329994122 437443192 /nfs/dbraw/zinc/44/31/92/437443192.db2.gz ZCAPZQMMVWXZAT-OWCLPIDISA-N 1 3 325.501 0.999 20 30 ECEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329994122 437443198 /nfs/dbraw/zinc/44/31/98/437443198.db2.gz ZCAPZQMMVWXZAT-OWCLPIDISA-N 1 3 325.501 0.999 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343757529 437646730 /nfs/dbraw/zinc/64/67/30/437646730.db2.gz GHELJHKKONIQIE-GOEBONIOSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343757529 437646736 /nfs/dbraw/zinc/64/67/36/437646736.db2.gz GHELJHKKONIQIE-GOEBONIOSA-N 1 3 336.480 0.742 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000343770453 437650949 /nfs/dbraw/zinc/65/09/49/437650949.db2.gz UDMFRLMCVPPSNM-UHFFFAOYSA-N 1 3 348.491 0.744 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419736237 438369961 /nfs/dbraw/zinc/36/99/61/438369961.db2.gz WYQOYDZIJPEEAV-OAHLLOKOSA-N 1 3 336.480 0.647 20 30 ECEDHO N#CCc1ccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000563141622 438861456 /nfs/dbraw/zinc/86/14/56/438861456.db2.gz LPVPNROENHPYMT-GOSISDBHSA-N 1 3 347.459 0.929 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000491661990 439421859 /nfs/dbraw/zinc/42/18/59/439421859.db2.gz GKIRWLKSTJICRQ-IAGOWNOFSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491661990 439421864 /nfs/dbraw/zinc/42/18/64/439421864.db2.gz GKIRWLKSTJICRQ-IAGOWNOFSA-N 1 3 348.491 0.391 20 30 ECEDHO C=CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710991 439855314 /nfs/dbraw/zinc/85/53/14/439855314.db2.gz KPZGVHRJXXJESM-MAUKXSAKSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000884614751 590872408 /nfs/dbraw/zinc/87/24/08/590872408.db2.gz WVHVKBKQUQAWFC-HRCADAONSA-N 1 3 334.464 0.374 20 30 ECEDHO C#CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000927630613 611621038 /nfs/dbraw/zinc/62/10/38/611621038.db2.gz PINNKVUIDJNOBB-GOSISDBHSA-N 1 3 348.491 0.979 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CCN(C)CC1 ZINC000910886028 609773995 /nfs/dbraw/zinc/77/39/95/609773995.db2.gz JEIBBLAXOSRWGB-NVXWUHKLSA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CCN(C)CC1 ZINC000910886028 609773997 /nfs/dbraw/zinc/77/39/97/609773997.db2.gz JEIBBLAXOSRWGB-NVXWUHKLSA-N 1 3 346.475 0.095 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225706 733069572 /nfs/dbraw/zinc/06/95/72/733069572.db2.gz XZHBOMMICHWAJB-HNNXBMFYSA-N 1 3 336.480 0.649 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC000970792623 733943781 /nfs/dbraw/zinc/94/37/81/733943781.db2.gz QBVMRLXXCYXXPP-GOSISDBHSA-N 1 3 343.475 0.764 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnc(C)nc3)C2)CC1 ZINC001023127954 736519974 /nfs/dbraw/zinc/51/99/74/736519974.db2.gz KMATXCYGXFWHDQ-HDICACEKSA-N 1 3 341.459 0.867 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001023128063 736523664 /nfs/dbraw/zinc/52/36/64/736523664.db2.gz OCPIHLGUMLMLLN-CALCHBBNSA-N 1 3 329.448 0.465 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001023128240 736523668 /nfs/dbraw/zinc/52/36/68/736523668.db2.gz VOZXQPUXAYVIAX-PNYFIKQUSA-N 1 3 345.487 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001023128373 736523697 /nfs/dbraw/zinc/52/36/97/736523697.db2.gz BGCBONOKXKXIHH-HDICACEKSA-N 1 3 343.475 0.811 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026889505 742029303 /nfs/dbraw/zinc/02/93/03/742029303.db2.gz XKGKSMNPLQDQKM-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C[NH+]1CCC(C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)CC1 ZINC000996790222 742868893 /nfs/dbraw/zinc/86/88/93/742868893.db2.gz ZVURRLLCVYGRMU-UHFFFAOYSA-N 1 3 347.507 0.897 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999347325 744641937 /nfs/dbraw/zinc/64/19/37/744641937.db2.gz JEEIMAOSKPSQNO-HZPDHXFCSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001000991642 745957266 /nfs/dbraw/zinc/95/72/66/745957266.db2.gz JLAFGULNIIAURZ-KRWDZBQOSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001000994749 745960321 /nfs/dbraw/zinc/96/03/21/745960321.db2.gz WVTRWNBFPQGXKK-KRWDZBQOSA-N 1 3 346.475 0.145 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC000985154078 747476280 /nfs/dbraw/zinc/47/62/80/747476280.db2.gz CDQOUVJZDDLAMI-BQFCYCMXSA-N 1 3 333.476 0.853 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167836324 750514805 /nfs/dbraw/zinc/51/48/05/750514805.db2.gz UDEPUPCHAVQGBQ-HNNXBMFYSA-N 1 3 336.480 0.342 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672648 755786092 /nfs/dbraw/zinc/78/60/92/755786092.db2.gz CHTBPPGVPFTCAN-ZAWLATJESA-N 1 3 335.492 0.926 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022715725 759029324 /nfs/dbraw/zinc/02/93/24/759029324.db2.gz LAEWNBUMBFORSR-JONQDZQNSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255782 768022989 /nfs/dbraw/zinc/02/29/89/768022989.db2.gz IPLNEDNCLUJSKB-BZUAXINKSA-N 1 3 348.491 0.293 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784805 768960684 /nfs/dbraw/zinc/96/06/84/768960684.db2.gz MXEKDSDZHHPSCC-OWCLPIDISA-N 1 3 338.496 0.703 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001018972969 770437269 /nfs/dbraw/zinc/43/72/69/770437269.db2.gz YWMOJTIJZRZZTM-HOCLYGCPSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001040779390 783424280 /nfs/dbraw/zinc/42/42/80/783424280.db2.gz HZKKESLIAIEHHF-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO CN1CCN(Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1 ZINC000264151991 254514323 /nfs/dbraw/zinc/51/43/23/254514323.db2.gz ZLNABSWFSISJLY-UHFFFAOYSA-N 1 3 331.464 0.581 20 30 ECEDHO COC[C@@H](C)NC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000104181862 436558146 /nfs/dbraw/zinc/55/81/46/436558146.db2.gz QPWIYCQOBOHYCY-CYBMUJFWSA-N 1 3 335.452 0.417 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264075577 437015245 /nfs/dbraw/zinc/01/52/45/437015245.db2.gz FONYXQOWOLFVAH-CYBMUJFWSA-N 1 3 339.465 0.223 20 30 ECEDHO C=CCNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000267411998 437327972 /nfs/dbraw/zinc/32/79/72/437327972.db2.gz INKKRSRGNOHADU-MRXNPFEDSA-N 1 3 329.448 0.974 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000343795025 437660801 /nfs/dbraw/zinc/66/08/01/437660801.db2.gz WDGHZWHIGACUDV-HNNXBMFYSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000343795025 437660804 /nfs/dbraw/zinc/66/08/04/437660804.db2.gz WDGHZWHIGACUDV-HNNXBMFYSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C(C)C ZINC000419570397 438361834 /nfs/dbraw/zinc/36/18/34/438361834.db2.gz NJHWWSPYIQTCLX-HOTGVXAUSA-N 1 3 336.480 0.751 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNc1ccc(C#N)cn1 ZINC000597941406 439201596 /nfs/dbraw/zinc/20/15/96/439201596.db2.gz AIUCNKNHAYRBHM-AWEZNQCLSA-N 1 3 332.452 0.753 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNc1ccc(C#N)cn1 ZINC000597941406 439201601 /nfs/dbraw/zinc/20/16/01/439201601.db2.gz AIUCNKNHAYRBHM-AWEZNQCLSA-N 1 3 332.452 0.753 20 30 ECEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572381727 439578013 /nfs/dbraw/zinc/57/80/13/439578013.db2.gz ZANLLNJSMXYLNY-FVQHAEBGSA-N 1 3 327.432 0.849 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656310685 440761325 /nfs/dbraw/zinc/76/13/25/440761325.db2.gz CWPLGJJMZARFRE-DLBZAZTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000668835453 547761752 /nfs/dbraw/zinc/76/17/52/547761752.db2.gz ATPUWBHMCWGFIK-MRXNPFEDSA-N 1 3 336.480 0.744 20 30 ECEDHO C[NH+]=C(NCC(=O)NCCN1CCCCCC1)NCc1ccco1 ZINC000849102866 589320117 /nfs/dbraw/zinc/32/01/17/589320117.db2.gz DWMVRUFPOGEHAS-UHFFFAOYSA-N 1 3 335.452 0.937 20 30 ECEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000876748945 590408549 /nfs/dbraw/zinc/40/85/49/590408549.db2.gz JHEPLEYCWBYDOR-STQMWFEESA-N 1 3 330.860 0.515 20 30 ECEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000876748943 590408935 /nfs/dbraw/zinc/40/89/35/590408935.db2.gz JHEPLEYCWBYDOR-QWHCGFSZSA-N 1 3 330.860 0.515 20 30 ECEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672727 /nfs/dbraw/zinc/67/27/27/611672727.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672730 /nfs/dbraw/zinc/67/27/30/611672730.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CCN(C(=O)C(=O)N(C)CCN(C)C1CC1)C1CC[NH+](C)CC1 ZINC000910886568 609773937 /nfs/dbraw/zinc/77/39/37/609773937.db2.gz NRGYLLNJXXWJOA-UHFFFAOYSA-N 1 3 334.464 0.095 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911204094 609824617 /nfs/dbraw/zinc/82/46/17/609824617.db2.gz SPJFPMPZICOOMF-BZUAXINKSA-N 1 3 336.480 0.525 20 30 ECEDHO C#CCN1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000914016618 609844001 /nfs/dbraw/zinc/84/40/01/609844001.db2.gz BJBVCXSHGFFOCV-UHFFFAOYSA-N 1 3 335.496 0.409 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941237054 610621013 /nfs/dbraw/zinc/62/10/13/610621013.db2.gz GQNROICIISFBKL-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941237054 610621016 /nfs/dbraw/zinc/62/10/16/610621016.db2.gz GQNROICIISFBKL-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262010078 735381023 /nfs/dbraw/zinc/38/10/23/735381023.db2.gz WLFCOIIIXCJGSZ-HLLBOEOZSA-N 1 3 336.528 0.270 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)CC1 ZINC001078201487 782483171 /nfs/dbraw/zinc/48/31/71/782483171.db2.gz YGJLWWJMUNRLRI-HNNXBMFYSA-N 1 3 336.480 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](CC#C)CCO)CC2)CC1 ZINC001098570345 736110146 /nfs/dbraw/zinc/11/01/46/736110146.db2.gz ACUVACYMUYMSMS-UHFFFAOYSA-N 1 3 331.460 0.250 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](CC#C)CCO)CC2)CC1 ZINC001098570345 736110149 /nfs/dbraw/zinc/11/01/49/736110149.db2.gz ACUVACYMUYMSMS-UHFFFAOYSA-N 1 3 331.460 0.250 20 30 ECEDHO C[N@@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996800286 742888270 /nfs/dbraw/zinc/88/82/70/742888270.db2.gz AALPBKYLIOFBPK-KLAILNCOSA-N 1 3 333.480 0.507 20 30 ECEDHO C[N@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996800286 742888281 /nfs/dbraw/zinc/88/82/81/742888281.db2.gz AALPBKYLIOFBPK-KLAILNCOSA-N 1 3 333.480 0.507 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1=O ZINC000997000385 743112157 /nfs/dbraw/zinc/11/21/57/743112157.db2.gz PSWHXWAYJRLASM-WBVHZDCISA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003506 743159099 /nfs/dbraw/zinc/15/90/99/743159099.db2.gz MUBPNDXHMWGMFN-DLBZAZTESA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003506 743159103 /nfs/dbraw/zinc/15/91/03/743159103.db2.gz MUBPNDXHMWGMFN-DLBZAZTESA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997794600 743814820 /nfs/dbraw/zinc/81/48/20/743814820.db2.gz SWODILKVGIITGC-HNNXBMFYSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)CC1 ZINC000999871683 744974662 /nfs/dbraw/zinc/97/46/62/744974662.db2.gz YLKAOAIMSAQTMJ-UHFFFAOYSA-N 1 3 344.463 0.239 20 30 ECEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128372 /nfs/dbraw/zinc/12/83/72/746128372.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128373 /nfs/dbraw/zinc/12/83/73/746128373.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 1 3 331.460 0.557 20 30 ECEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145188 /nfs/dbraw/zinc/14/51/88/747145188.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145193 /nfs/dbraw/zinc/14/51/93/747145193.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790432 749107822 /nfs/dbraw/zinc/10/78/22/749107822.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 1 3 348.491 0.648 20 30 ECEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790432 749107826 /nfs/dbraw/zinc/10/78/26/749107826.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 1 3 348.491 0.648 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001088429893 749197141 /nfs/dbraw/zinc/19/71/41/749197141.db2.gz CKYPAJWAQPUVPB-DOTOQJQBSA-N 1 3 348.491 0.566 20 30 ECEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005742883 750581758 /nfs/dbraw/zinc/58/17/58/750581758.db2.gz WXXYORZBIOPUSY-URSIVYNOSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105656815 755207126 /nfs/dbraw/zinc/20/71/26/755207126.db2.gz UEYXKWZXHSKOFK-ZAWLATJESA-N 1 3 344.459 0.942 20 30 ECEDHO C=C(C)CCN1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107235088 758021108 /nfs/dbraw/zinc/02/11/08/758021108.db2.gz BBZRTPCROIFKIF-UHFFFAOYSA-N 1 3 332.452 0.813 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701781 /nfs/dbraw/zinc/70/17/81/759701781.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 1 3 343.471 0.796 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701787 /nfs/dbraw/zinc/70/17/87/759701787.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 1 3 343.471 0.796 20 30 ECEDHO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccnc3C)C2)CC1 ZINC001052118225 763931549 /nfs/dbraw/zinc/93/15/49/763931549.db2.gz OSVULTKEBXVEHC-QGZVFWFLSA-N 1 3 331.464 0.986 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797865 /nfs/dbraw/zinc/79/78/65/766797865.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 1 3 346.519 0.959 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797871 /nfs/dbraw/zinc/79/78/71/766797871.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839257 /nfs/dbraw/zinc/83/92/57/766839257.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839266 /nfs/dbraw/zinc/83/92/66/766839266.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386422 771236327 /nfs/dbraw/zinc/23/63/27/771236327.db2.gz NSEPRXYEVFVATD-JKSUJKDBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015363 790329604 /nfs/dbraw/zinc/32/96/04/790329604.db2.gz UWLQQLFTPARTHB-CVEARBPZSA-N 1 3 332.452 0.538 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(C)c2)CC1 ZINC001045321536 775410506 /nfs/dbraw/zinc/41/05/06/775410506.db2.gz VFGSOZSHWGZIGL-SFHVURJKSA-N 1 3 343.475 0.846 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258467 783756749 /nfs/dbraw/zinc/75/67/49/783756749.db2.gz WHXOHRNEQYQBFV-ZACQAIPSSA-N 1 3 346.479 0.928 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258467 783756761 /nfs/dbraw/zinc/75/67/61/783756761.db2.gz WHXOHRNEQYQBFV-ZACQAIPSSA-N 1 3 346.479 0.928 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275278 783780833 /nfs/dbraw/zinc/78/08/33/783780833.db2.gz DJBHXOXULIGFEF-CVEARBPZSA-N 1 3 346.479 0.928 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001070664223 784521361 /nfs/dbraw/zinc/52/13/61/784521361.db2.gz DWDAPSVVWRAUOD-HZPDHXFCSA-N 1 3 341.459 0.566 20 30 ECEDHO C#CCNC(=O)C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267909469 838777220 /nfs/dbraw/zinc/77/72/20/838777220.db2.gz PUCHYWSOORGTID-UHFFFAOYSA-N 1 3 348.491 0.438 20 30 ECEDHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1)N(C)C ZINC001267915303 838785269 /nfs/dbraw/zinc/78/52/69/838785269.db2.gz FFIOWHVOJZLHLJ-HNNXBMFYSA-N 1 3 337.468 0.185 20 30 ECEDHO COCC#CCNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001267940096 838824341 /nfs/dbraw/zinc/82/43/41/838824341.db2.gz CTBITMNXXHQLEY-SFHVURJKSA-N 1 3 329.444 0.994 20 30 ECEDHO COCC#CCNCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001267940096 838824350 /nfs/dbraw/zinc/82/43/50/838824350.db2.gz CTBITMNXXHQLEY-SFHVURJKSA-N 1 3 329.444 0.994 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001268015924 838978870 /nfs/dbraw/zinc/97/88/70/838978870.db2.gz WCTRSJVZMRHXQZ-INIZCTEOSA-N 1 3 348.491 0.296 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C(C)C ZINC000419568860 277847357 /nfs/dbraw/zinc/84/73/57/277847357.db2.gz LKJUHWKFIXCVAT-INIZCTEOSA-N 1 3 336.480 0.751 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264074090 437015457 /nfs/dbraw/zinc/01/54/57/437015457.db2.gz GWPRLKNMHBMLEW-MRXNPFEDSA-N 1 3 346.479 0.807 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C(C)C ZINC000419576928 438361788 /nfs/dbraw/zinc/36/17/88/438361788.db2.gz YLUQIGCHZOZXDC-MRXNPFEDSA-N 1 3 336.480 0.669 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000491425506 439379185 /nfs/dbraw/zinc/37/91/85/439379185.db2.gz ABABEULCGLXSHN-UHFFFAOYSA-N 1 3 330.432 0.806 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000491708014 439433833 /nfs/dbraw/zinc/43/38/33/439433833.db2.gz MMZOQUFMKQWMDR-UHFFFAOYSA-N 1 3 346.406 0.481 20 30 ECEDHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000595280889 439689932 /nfs/dbraw/zinc/68/99/32/439689932.db2.gz FCYSEUSFXSMKEK-CQSZACIVSA-N 1 3 345.447 0.173 20 30 ECEDHO C=CC[C@]1(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CCC[NH2+]1 ZINC000662716787 439857214 /nfs/dbraw/zinc/85/72/14/439857214.db2.gz WQOKYTJXOXLGTB-GOSISDBHSA-N 1 3 336.480 0.697 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627386130 440170038 /nfs/dbraw/zinc/17/00/38/440170038.db2.gz GWBGVCRSRVPAAQ-KDURUIRLSA-N 1 3 348.491 0.601 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659707575 440442067 /nfs/dbraw/zinc/44/20/67/440442067.db2.gz XYDJHEHCTFISNI-ZBFHGGJFSA-N 1 3 336.480 0.729 20 30 ECEDHO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CNC[C@@H]3C#N)cc2)CC1 ZINC000834490545 588903320 /nfs/dbraw/zinc/90/33/20/588903320.db2.gz VRNRKSDQVICABX-RDJZCZTQSA-N 1 3 327.432 0.670 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000884614325 590872917 /nfs/dbraw/zinc/87/29/17/590872917.db2.gz KESDJBZCUULMHO-IXDOHACOSA-N 1 3 348.491 0.764 20 30 ECEDHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000931488443 611545091 /nfs/dbraw/zinc/54/50/91/611545091.db2.gz SSIZRCVLFSWTDZ-INIZCTEOSA-N 1 3 333.432 0.686 20 30 ECEDHO CC#CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058062 610635971 /nfs/dbraw/zinc/63/59/71/610635971.db2.gz SLAPKFDOVHJQIL-HOTGVXAUSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3CC)C2)CC1 ZINC001023128714 736524232 /nfs/dbraw/zinc/52/42/32/736524232.db2.gz PVQKTDMOKVIFMB-IYBDPMFKSA-N 1 3 344.463 0.380 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026040884 740326728 /nfs/dbraw/zinc/32/67/28/740326728.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 1 3 346.475 0.304 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026040884 740326733 /nfs/dbraw/zinc/32/67/33/740326733.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 1 3 346.475 0.304 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218037 /nfs/dbraw/zinc/21/80/37/742218037.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218040 /nfs/dbraw/zinc/21/80/40/742218040.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cnns3)CC2)CC1 ZINC000997363728 743535202 /nfs/dbraw/zinc/53/52/02/743535202.db2.gz JAJHFXNDLHPEQA-UHFFFAOYSA-N 1 3 347.488 0.964 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000999878235 744987210 /nfs/dbraw/zinc/98/72/10/744987210.db2.gz RDUDMTBMQZPNSN-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000999878235 744987211 /nfs/dbraw/zinc/98/72/11/744987211.db2.gz RDUDMTBMQZPNSN-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969878 746763117 /nfs/dbraw/zinc/76/31/17/746763117.db2.gz SPMHIEKOKCDWBP-CVEARBPZSA-N 1 3 329.448 0.472 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001021092724 752533389 /nfs/dbraw/zinc/53/33/89/752533389.db2.gz RQKKKQMWVPHZPC-WKILWMFISA-N 1 3 329.448 0.502 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001021096358 752537275 /nfs/dbraw/zinc/53/72/75/752537275.db2.gz OUWTVPQQWXAPBD-QAETUUGQSA-N 1 3 348.491 0.885 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@@H](CC)C(N)=O)CC2)CC1 ZINC001168320671 754511940 /nfs/dbraw/zinc/51/19/40/754511940.db2.gz JKIGBUXRGGTFRR-INIZCTEOSA-N 1 3 348.491 0.472 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107035853 759459446 /nfs/dbraw/zinc/45/94/46/759459446.db2.gz BHCKHKYCUMUXTB-BRWVUGGUSA-N 1 3 348.491 0.294 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066112 760687683 /nfs/dbraw/zinc/68/76/83/760687683.db2.gz JNWQFMKJRFSULD-INIZCTEOSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066112 760687689 /nfs/dbraw/zinc/68/76/89/760687689.db2.gz JNWQFMKJRFSULD-INIZCTEOSA-N 1 3 338.496 0.990 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050933 766788787 /nfs/dbraw/zinc/78/87/87/766788787.db2.gz SZCODWJGKAEUEX-QGZVFWFLSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260298 766926779 /nfs/dbraw/zinc/92/67/79/766926779.db2.gz AYIPGNWUCBUKRN-SJORKVTESA-N 1 3 348.491 0.767 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260298 766926785 /nfs/dbraw/zinc/92/67/85/766926785.db2.gz AYIPGNWUCBUKRN-SJORKVTESA-N 1 3 348.491 0.767 20 30 ECEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618794 /nfs/dbraw/zinc/61/87/94/781618794.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618798 /nfs/dbraw/zinc/61/87/98/781618798.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689527 784556001 /nfs/dbraw/zinc/55/60/01/784556001.db2.gz CCRNOWTTWFSOFL-BZUAXINKSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001266880528 836427981 /nfs/dbraw/zinc/42/79/81/836427981.db2.gz LIWMBWWLBCEUPP-HOTGVXAUSA-N 1 3 336.480 0.437 20 30 ECEDHO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001267168835 836894015 /nfs/dbraw/zinc/89/40/15/836894015.db2.gz FXYJXFUBJHRXTR-MRXNPFEDSA-N 1 3 348.491 0.581 20 30 ECEDHO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001267168835 836894022 /nfs/dbraw/zinc/89/40/22/836894022.db2.gz FXYJXFUBJHRXTR-MRXNPFEDSA-N 1 3 348.491 0.581 20 30 ECEDHO N#Cc1ccc(CN2CCC([NH2+]CC(=O)N3CCNCC3)CC2)cc1 ZINC000517229753 270007898 /nfs/dbraw/zinc/00/78/98/270007898.db2.gz KXJMVVBLUPAZKL-UHFFFAOYSA-N 1 3 341.459 0.544 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000490818732 276783413 /nfs/dbraw/zinc/78/34/13/276783413.db2.gz ABQHMOBPXZTVPP-IBGZPJMESA-N 1 3 346.519 0.959 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000340208824 437596536 /nfs/dbraw/zinc/59/65/36/437596536.db2.gz QXTDKFZDCFDCTQ-UHFFFAOYSA-N 1 3 336.480 0.601 20 30 ECEDHO COCCNC(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000264067308 437015670 /nfs/dbraw/zinc/01/56/70/437015670.db2.gz BWBOXCNKEIARAI-KRWDZBQOSA-N 1 3 333.480 0.916 20 30 ECEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCN2CC)CC1 ZINC000303694179 437152722 /nfs/dbraw/zinc/15/27/22/437152722.db2.gz CQNQIUVDNUIRNI-CQSZACIVSA-N 1 3 325.457 0.996 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478665 437658711 /nfs/dbraw/zinc/65/87/11/437658711.db2.gz CSUOXULUDDMUQC-IRXDYDNUSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478665 437658717 /nfs/dbraw/zinc/65/87/17/437658717.db2.gz CSUOXULUDDMUQC-IRXDYDNUSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478664 437659344 /nfs/dbraw/zinc/65/93/44/437659344.db2.gz CSUOXULUDDMUQC-IAGOWNOFSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478664 437659347 /nfs/dbraw/zinc/65/93/47/437659347.db2.gz CSUOXULUDDMUQC-IAGOWNOFSA-N 1 3 348.491 0.886 20 30 ECEDHO CN(C)CCN1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000345113633 437779972 /nfs/dbraw/zinc/77/99/72/437779972.db2.gz PTOINUTYIJEAMR-OAHLLOKOSA-N 1 3 337.468 0.090 20 30 ECEDHO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370354 438079700 /nfs/dbraw/zinc/07/97/00/438079700.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 1 3 347.507 0.895 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263035 /nfs/dbraw/zinc/26/30/35/438263035.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263038 /nfs/dbraw/zinc/26/30/38/438263038.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263041 /nfs/dbraw/zinc/26/30/41/438263041.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC#CCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263042 /nfs/dbraw/zinc/26/30/42/438263042.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 1 3 334.464 0.161 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419728738 438370391 /nfs/dbraw/zinc/37/03/91/438370391.db2.gz NPPWIWKFIBMFST-MRXNPFEDSA-N 1 3 336.480 0.777 20 30 ECEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000595987270 438909249 /nfs/dbraw/zinc/90/92/49/438909249.db2.gz LCIZNBGJCGCEBY-UHFFFAOYSA-N 1 3 345.447 0.256 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000596753390 438996701 /nfs/dbraw/zinc/99/67/01/438996701.db2.gz QETPMGIJXNNJAF-AWEZNQCLSA-N 1 3 335.456 1.190 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000596753390 438996705 /nfs/dbraw/zinc/99/67/05/438996705.db2.gz QETPMGIJXNNJAF-AWEZNQCLSA-N 1 3 335.456 1.190 20 30 ECEDHO C#CCN1CCC(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000491220863 439351404 /nfs/dbraw/zinc/35/14/04/439351404.db2.gz QXXMMKRHLNYGFS-UHFFFAOYSA-N 1 3 348.491 0.440 20 30 ECEDHO N#Cc1ccccc1OC[C@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000600739932 439696921 /nfs/dbraw/zinc/69/69/21/439696921.db2.gz VPDGLVLCTLTGET-QGZVFWFLSA-N 1 3 333.432 0.734 20 30 ECEDHO C=CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000658534798 439984189 /nfs/dbraw/zinc/98/41/89/439984189.db2.gz CVVUQDOAFVFNSD-MRXNPFEDSA-N 1 3 338.496 0.753 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000672355862 548313743 /nfs/dbraw/zinc/31/37/43/548313743.db2.gz COZHKVSTJAMJFF-INIZCTEOSA-N 1 3 336.480 0.742 20 30 ECEDHO N#C[C@@H]1CNC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000844195469 589102342 /nfs/dbraw/zinc/10/23/42/589102342.db2.gz UJSHFRCNPCZKLS-WBVHZDCISA-N 1 3 327.432 0.426 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182321 590279113 /nfs/dbraw/zinc/27/91/13/590279113.db2.gz KVIKEKDUQJCFLU-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182321 590279115 /nfs/dbraw/zinc/27/91/15/590279115.db2.gz KVIKEKDUQJCFLU-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160744 591052880 /nfs/dbraw/zinc/05/28/80/591052880.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 1 3 338.544 0.647 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910884829 609773444 /nfs/dbraw/zinc/77/34/44/609773444.db2.gz FDCZDXAUFOHYFO-KRWDZBQOSA-N 1 3 346.475 0.239 20 30 ECEDHO CC#CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516603 610881758 /nfs/dbraw/zinc/88/17/58/610881758.db2.gz MHNZQCITPYVKQS-NVXWUHKLSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232947 733077172 /nfs/dbraw/zinc/07/71/72/733077172.db2.gz VFZGIJUNHBPWEU-OAHLLOKOSA-N 1 3 336.480 0.507 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043573 740335481 /nfs/dbraw/zinc/33/54/81/740335481.db2.gz NVZSNMWJNRJCET-QFXBJFAPSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043573 740335488 /nfs/dbraw/zinc/33/54/88/740335488.db2.gz NVZSNMWJNRJCET-QFXBJFAPSA-N 1 3 346.475 0.162 20 30 ECEDHO C#CCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590555 741916776 /nfs/dbraw/zinc/91/67/76/741916776.db2.gz BIMBNQZYCQWSNA-MRXNPFEDSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934284 742903161 /nfs/dbraw/zinc/90/31/61/742903161.db2.gz XWJACZHJLFSPAT-JKSUJKDBSA-N 1 3 346.475 0.307 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020586183 751843975 /nfs/dbraw/zinc/84/39/75/751843975.db2.gz HQOUPNMUUNEUDR-VGWMRTNUSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020588748 751849623 /nfs/dbraw/zinc/84/96/23/751849623.db2.gz LAEWNBUMBFORSR-VGWMRTNUSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995255 745155079 /nfs/dbraw/zinc/15/50/79/745155079.db2.gz FUGBOXWKRQLYGX-JKSUJKDBSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995255 745155084 /nfs/dbraw/zinc/15/50/84/745155084.db2.gz FUGBOXWKRQLYGX-JKSUJKDBSA-N 1 3 330.436 0.259 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000711739 745715446 /nfs/dbraw/zinc/71/54/46/745715446.db2.gz PPJWYLMIRPOXBG-CVEARBPZSA-N 1 3 346.475 0.450 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001000994755 745960270 /nfs/dbraw/zinc/96/02/70/745960270.db2.gz WVUMCPCVDJXWLP-DLBZAZTESA-N 1 3 346.475 0.143 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262659767 749222113 /nfs/dbraw/zinc/22/21/13/749222113.db2.gz MQBBYZOXFDACBD-UONOGXRCSA-N 1 3 345.513 0.189 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531278 749542313 /nfs/dbraw/zinc/54/23/13/749542313.db2.gz PBRBMOWRZNAKEA-BXWFABGCSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccnn3C)[C@H]2C)CC1 ZINC000987574736 750976784 /nfs/dbraw/zinc/97/67/84/750976784.db2.gz GTVTYWHEVDTMPW-CRAIPNDOSA-N 1 3 343.475 0.844 20 30 ECEDHO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901721 751257917 /nfs/dbraw/zinc/25/79/17/751257917.db2.gz UABHPHKQPAVUOL-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901721 751257919 /nfs/dbraw/zinc/25/79/19/751257919.db2.gz UABHPHKQPAVUOL-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022715728 759029298 /nfs/dbraw/zinc/02/92/98/759029298.db2.gz LAEWNBUMBFORSR-WCVJEAGWSA-N 1 3 334.464 0.352 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296869 767905292 /nfs/dbraw/zinc/90/52/92/767905292.db2.gz BOJTXVVLUGHWFW-BZUAXINKSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC001050524419 760429646 /nfs/dbraw/zinc/42/96/46/760429646.db2.gz BYJWAQQESKAEIP-UHFFFAOYSA-N 1 3 329.448 0.616 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255783 768023017 /nfs/dbraw/zinc/02/30/17/768023017.db2.gz IPLNEDNCLUJSKB-OWCLPIDISA-N 1 3 348.491 0.293 20 30 ECEDHO C=CCCN1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107836 763889007 /nfs/dbraw/zinc/88/90/07/763889007.db2.gz HHAACMQWUKNJFA-KRWDZBQOSA-N 1 3 332.492 0.877 20 30 ECEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344083 768336607 /nfs/dbraw/zinc/33/66/07/768336607.db2.gz FSUMGIAVLIXNFA-JKSUJKDBSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344083 768336613 /nfs/dbraw/zinc/33/66/13/768336613.db2.gz FSUMGIAVLIXNFA-JKSUJKDBSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001046034710 766716019 /nfs/dbraw/zinc/71/60/19/766716019.db2.gz XZRGOYAUBUZYSE-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034710 766716026 /nfs/dbraw/zinc/71/60/26/766716026.db2.gz XZRGOYAUBUZYSE-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075921 766899631 /nfs/dbraw/zinc/89/96/31/766899631.db2.gz IHNNSQLLQFUYIZ-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075921 766899643 /nfs/dbraw/zinc/89/96/43/766899643.db2.gz IHNNSQLLQFUYIZ-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273626 780949142 /nfs/dbraw/zinc/94/91/42/780949142.db2.gz HOWDZVNJGAGOLZ-IXDOHACOSA-N 1 3 331.460 0.511 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273626 780949145 /nfs/dbraw/zinc/94/91/45/780949145.db2.gz HOWDZVNJGAGOLZ-IXDOHACOSA-N 1 3 331.460 0.511 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070675582 784535272 /nfs/dbraw/zinc/53/52/72/784535272.db2.gz JZAXPEBHUWRTDE-HZPDHXFCSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001266567677 835997372 /nfs/dbraw/zinc/99/73/72/835997372.db2.gz NWBQEQKQZDTLTM-PBHICJAKSA-N 1 3 346.475 0.189 20 30 ECEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267026678 836646994 /nfs/dbraw/zinc/64/69/94/836646994.db2.gz RLTAVGNNWULCSV-KRWDZBQOSA-N 1 3 344.459 0.855 20 30 ECEDHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)N1CCCC1 ZINC001267085137 836733578 /nfs/dbraw/zinc/73/35/78/836733578.db2.gz GTCUGTQOJKZKOU-HUUCEWRRSA-N 1 3 349.479 0.518 20 30 ECEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420075608 209298359 /nfs/dbraw/zinc/29/83/59/209298359.db2.gz KJHRFRJPEJQYCY-UHFFFAOYSA-N 1 3 345.447 0.302 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000103448652 436555261 /nfs/dbraw/zinc/55/52/61/436555261.db2.gz GUJUBLLUFACEMM-UHFFFAOYSA-N 1 3 348.491 0.344 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000130599854 436841542 /nfs/dbraw/zinc/84/15/42/436841542.db2.gz UZEKXQVHFDSLRA-UHFFFAOYSA-N 1 3 349.410 0.588 20 30 ECEDHO [NH2+]=C(NCCN1CCCCCC1)N1CCN(c2ncccn2)CC1 ZINC000264068396 437015846 /nfs/dbraw/zinc/01/58/46/437015846.db2.gz CHFNNFBWSZDDKY-UHFFFAOYSA-N 1 3 331.468 0.789 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1 ZINC000264100403 437016855 /nfs/dbraw/zinc/01/68/55/437016855.db2.gz MSZJQLZOEMUYIX-AWEZNQCLSA-N 1 3 338.477 0.979 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478166 437659030 /nfs/dbraw/zinc/65/90/30/437659030.db2.gz AENGIXGRRBTQCH-JKSUJKDBSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478166 437659032 /nfs/dbraw/zinc/65/90/32/437659032.db2.gz AENGIXGRRBTQCH-JKSUJKDBSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000577474802 438843918 /nfs/dbraw/zinc/84/39/18/438843918.db2.gz LGMFFIKJQDBLDN-IRXDYDNUSA-N 1 3 337.512 0.969 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000491473582 439388621 /nfs/dbraw/zinc/38/86/21/439388621.db2.gz FPNLZXOQUQWAJP-UHFFFAOYSA-N 1 3 337.512 0.657 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000491473582 439388627 /nfs/dbraw/zinc/38/86/27/439388627.db2.gz FPNLZXOQUQWAJP-UHFFFAOYSA-N 1 3 337.512 0.657 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000584419593 439588507 /nfs/dbraw/zinc/58/85/07/439588507.db2.gz KNPFTNIEIWMQPO-KRWDZBQOSA-N 1 3 334.464 0.934 20 30 ECEDHO N#C[C@@H]1CNC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000844195467 589102270 /nfs/dbraw/zinc/10/22/70/589102270.db2.gz UJSHFRCNPCZKLS-NVXWUHKLSA-N 1 3 327.432 0.426 20 30 ECEDHO C=C(CN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632204 589597387 /nfs/dbraw/zinc/59/73/87/589597387.db2.gz GOUXNADZFYYICC-HOTGVXAUSA-N 1 3 338.496 0.798 20 30 ECEDHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000863750220 590033857 /nfs/dbraw/zinc/03/38/57/590033857.db2.gz AHSWVTRBOCDGTA-AWEZNQCLSA-N 1 3 345.447 0.254 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875182715 590279264 /nfs/dbraw/zinc/27/92/64/590279264.db2.gz WNLMRPXTEXNBNG-GDBMZVCRSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182715 590279265 /nfs/dbraw/zinc/27/92/65/590279265.db2.gz WNLMRPXTEXNBNG-GDBMZVCRSA-N 1 3 334.464 0.306 20 30 ECEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000876748941 590408651 /nfs/dbraw/zinc/40/86/51/590408651.db2.gz JHEPLEYCWBYDOR-OLZOCXBDSA-N 1 3 330.860 0.515 20 30 ECEDHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CNC[C@H]4C#N)CC2)C1 ZINC000884236274 590785860 /nfs/dbraw/zinc/78/58/60/590785860.db2.gz QEPWTCJUSIORGR-ISXWCOSWSA-N 1 3 345.491 0.364 20 30 ECEDHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CNC[C@H]4C#N)CC2)C1 ZINC000884236274 590785863 /nfs/dbraw/zinc/78/58/63/590785863.db2.gz QEPWTCJUSIORGR-ISXWCOSWSA-N 1 3 345.491 0.364 20 30 ECEDHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CNC[C@H]4C#N)CC2)C1 ZINC000884236276 590786159 /nfs/dbraw/zinc/78/61/59/590786159.db2.gz QEPWTCJUSIORGR-VZDIDWBNSA-N 1 3 345.491 0.364 20 30 ECEDHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CNC[C@H]4C#N)CC2)C1 ZINC000884236276 590786163 /nfs/dbraw/zinc/78/61/63/590786163.db2.gz QEPWTCJUSIORGR-VZDIDWBNSA-N 1 3 345.491 0.364 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884643167 590881465 /nfs/dbraw/zinc/88/14/65/590881465.db2.gz YTOUFZSTFDICCN-UHFFFAOYSA-N 1 3 336.480 0.873 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000884643063 590881832 /nfs/dbraw/zinc/88/18/32/590881832.db2.gz WDLZBEPPHFDDCT-UHFFFAOYSA-N 1 3 348.491 0.888 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911236859 609829635 /nfs/dbraw/zinc/82/96/35/609829635.db2.gz VCHXMGLJTCMFEB-KDOFPFPSSA-N 1 3 334.464 0.483 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940962924 610468137 /nfs/dbraw/zinc/46/81/37/610468137.db2.gz YUGBGSCCNMFOEC-IAGOWNOFSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940962924 610468138 /nfs/dbraw/zinc/46/81/38/610468138.db2.gz YUGBGSCCNMFOEC-IAGOWNOFSA-N 1 3 346.475 0.000 20 30 ECEDHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)N(C)C ZINC001167051724 731563432 /nfs/dbraw/zinc/56/34/32/731563432.db2.gz ZWCYAVWXYWJHJT-OAHLLOKOSA-N 1 3 337.468 0.088 20 30 ECEDHO CCCN(C)CC(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098540281 733830051 /nfs/dbraw/zinc/83/00/51/733830051.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 1 3 339.480 0.263 20 30 ECEDHO CCCN(C)CC(=O)N1CCC([N@H+](CC#CCOC)CCO)CC1 ZINC001098540281 733830054 /nfs/dbraw/zinc/83/00/54/733830054.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 1 3 339.480 0.263 20 30 ECEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560673 738107309 /nfs/dbraw/zinc/10/73/09/738107309.db2.gz HXESSOUBRRBMIZ-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560673 738107313 /nfs/dbraw/zinc/10/73/13/738107313.db2.gz HXESSOUBRRBMIZ-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679176 739462219 /nfs/dbraw/zinc/46/22/19/739462219.db2.gz HDMOGJLVLWVTOP-GVDBMIGSSA-N 1 3 348.491 0.152 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064165 741272907 /nfs/dbraw/zinc/27/29/07/741272907.db2.gz AJOUBBUTMSBXEV-HZPDHXFCSA-N 1 3 336.480 0.150 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997611736 743708202 /nfs/dbraw/zinc/70/82/02/743708202.db2.gz GOKSEBYDXVPZDB-DLBZAZTESA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997611737 743708452 /nfs/dbraw/zinc/70/84/52/743708452.db2.gz GOKSEBYDXVPZDB-IAGOWNOFSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995248 745154680 /nfs/dbraw/zinc/15/46/80/745154680.db2.gz FUGBOXWKRQLYGX-CVEARBPZSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995248 745154683 /nfs/dbraw/zinc/15/46/83/745154683.db2.gz FUGBOXWKRQLYGX-CVEARBPZSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551147 746419715 /nfs/dbraw/zinc/41/97/15/746419715.db2.gz DEMGKBITHQZLQR-PIMZTRDMSA-N 1 3 329.444 0.167 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551147 746419718 /nfs/dbraw/zinc/41/97/18/746419718.db2.gz DEMGKBITHQZLQR-PIMZTRDMSA-N 1 3 329.444 0.167 20 30 ECEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901159 751257094 /nfs/dbraw/zinc/25/70/94/751257094.db2.gz CKSIZOFQZUCWDC-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901159 751257098 /nfs/dbraw/zinc/25/70/98/751257098.db2.gz CKSIZOFQZUCWDC-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC001076605728 756724754 /nfs/dbraw/zinc/72/47/54/756724754.db2.gz PSJKAWDPLGSCFS-BPQIPLTHSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC001076605728 756724756 /nfs/dbraw/zinc/72/47/56/756724756.db2.gz PSJKAWDPLGSCFS-BPQIPLTHSA-N 1 3 333.476 0.899 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC001127779567 758625566 /nfs/dbraw/zinc/62/55/66/758625566.db2.gz OFMSMSLPAHCPMV-DOMZBBRYSA-N 1 3 334.445 0.689 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779567 758625567 /nfs/dbraw/zinc/62/55/67/758625567.db2.gz OFMSMSLPAHCPMV-DOMZBBRYSA-N 1 3 334.445 0.689 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244987 768008061 /nfs/dbraw/zinc/00/80/61/768008061.db2.gz XLMWIMQHIPQYED-HUUCEWRRSA-N 1 3 336.480 0.457 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029975 766695855 /nfs/dbraw/zinc/69/58/55/766695855.db2.gz HDILDOQODPLFLE-MSOLQXFVSA-N 1 3 330.476 0.180 20 30 ECEDHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741454 766829181 /nfs/dbraw/zinc/82/91/81/766829181.db2.gz XABQLGOFBCYVAE-YJTLQXIOSA-N 1 3 329.444 0.454 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064495 766844966 /nfs/dbraw/zinc/84/49/66/766844966.db2.gz OPXYHNLBAWDUTN-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064495 766844975 /nfs/dbraw/zinc/84/49/75/766844975.db2.gz OPXYHNLBAWDUTN-MSOLQXFVSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064840 766847548 /nfs/dbraw/zinc/84/75/48/766847548.db2.gz WHSVYYYWWIEWDE-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064840 766847557 /nfs/dbraw/zinc/84/75/57/766847557.db2.gz WHSVYYYWWIEWDE-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260297 766927332 /nfs/dbraw/zinc/92/73/32/766927332.db2.gz AYIPGNWUCBUKRN-IRXDYDNUSA-N 1 3 348.491 0.767 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260297 766927340 /nfs/dbraw/zinc/92/73/40/766927340.db2.gz AYIPGNWUCBUKRN-IRXDYDNUSA-N 1 3 348.491 0.767 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784802 768960267 /nfs/dbraw/zinc/96/02/67/768960267.db2.gz MXEKDSDZHHPSCC-BZUAXINKSA-N 1 3 338.496 0.703 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070241540 783726883 /nfs/dbraw/zinc/72/68/83/783726883.db2.gz LAESIWVPXDRFGU-IXDOHACOSA-N 1 3 344.463 0.680 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689635 784555793 /nfs/dbraw/zinc/55/57/93/784555793.db2.gz ILYROYIRYLROEB-BZUAXINKSA-N 1 3 329.448 0.422 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689635 784555798 /nfs/dbraw/zinc/55/57/98/784555798.db2.gz ILYROYIRYLROEB-BZUAXINKSA-N 1 3 329.448 0.422 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700390 786999720 /nfs/dbraw/zinc/99/97/20/786999720.db2.gz KTTOKGGWJDXERA-DHADLLTHSA-N 1 3 349.475 0.633 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700390 786999722 /nfs/dbraw/zinc/99/97/22/786999722.db2.gz KTTOKGGWJDXERA-DHADLLTHSA-N 1 3 349.475 0.633 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(=O)NCCC)C2)CC1 ZINC001266640527 836077309 /nfs/dbraw/zinc/07/73/09/836077309.db2.gz XCJYVDIBHUUEMU-XIRDDKMYSA-N 1 3 348.491 0.483 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCc2ccnn2C)CC1 ZINC001267154418 836860498 /nfs/dbraw/zinc/86/04/98/836860498.db2.gz CVNGAJFUQXBPDI-MRXNPFEDSA-N 1 3 345.491 0.792 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCO)c2ccccc2)CC1 ZINC001267381388 837305172 /nfs/dbraw/zinc/30/51/72/837305172.db2.gz BQBRZBXDNUUCTM-SFHVURJKSA-N 1 3 329.444 0.771 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000343742892 437645739 /nfs/dbraw/zinc/64/57/39/437645739.db2.gz UEIPQVAYWUYUFB-UHFFFAOYSA-N 1 3 336.480 0.696 20 30 ECEDHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566120681 439010476 /nfs/dbraw/zinc/01/04/76/439010476.db2.gz OJSLYEBQRVIGLE-SFHVURJKSA-N 1 3 346.475 0.914 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000490649430 439283092 /nfs/dbraw/zinc/28/30/92/439283092.db2.gz GVZJUATXRRFEMF-UHFFFAOYSA-N 1 3 346.519 0.818 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000491392145 439376409 /nfs/dbraw/zinc/37/64/09/439376409.db2.gz AFHQAENMYUCLTE-IRXDYDNUSA-N 1 3 336.480 0.619 20 30 ECEDHO N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000594437135 439560674 /nfs/dbraw/zinc/56/06/74/439560674.db2.gz IPGVLXXEEBFWSG-OAHLLOKOSA-N 1 3 335.452 0.164 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000572456125 439585859 /nfs/dbraw/zinc/58/58/59/439585859.db2.gz UANLJXJHKSIWPW-UHFFFAOYSA-N 1 3 345.447 0.643 20 30 ECEDHO C=CCN1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000664019351 440217169 /nfs/dbraw/zinc/21/71/69/440217169.db2.gz IUFAAUQRXISLCV-UHFFFAOYSA-N 1 3 325.501 0.820 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000342977431 546088503 /nfs/dbraw/zinc/08/85/03/546088503.db2.gz ORLWZOKVMQJGOB-HNNXBMFYSA-N 1 3 338.496 0.990 20 30 ECEDHO COC(=O)C1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883489 589521301 /nfs/dbraw/zinc/52/13/01/589521301.db2.gz GEZYWWAWRVNDGI-UHFFFAOYSA-N 1 3 335.448 0.381 20 30 ECEDHO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000873218933 590186928 /nfs/dbraw/zinc/18/69/28/590186928.db2.gz BAUQGGVSRMZTRI-KRWDZBQOSA-N 1 3 341.459 0.878 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182717 590279043 /nfs/dbraw/zinc/27/90/43/590279043.db2.gz WNLMRPXTEXNBNG-HOCLYGCPSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182717 590279045 /nfs/dbraw/zinc/27/90/45/590279045.db2.gz WNLMRPXTEXNBNG-HOCLYGCPSA-N 1 3 334.464 0.306 20 30 ECEDHO CC[NH+](CC)CCN(CCOC)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884212685 590776869 /nfs/dbraw/zinc/77/68/69/590776869.db2.gz KWWIBKPKSBXGKQ-UPTPFMHGSA-N 1 3 336.480 0.943 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCN(CC)CC1 ZINC000104174716 591053261 /nfs/dbraw/zinc/05/32/61/591053261.db2.gz PLFPUTSUIXDMHD-IAGOWNOFSA-N 1 3 338.544 0.649 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051669 731562775 /nfs/dbraw/zinc/56/27/75/731562775.db2.gz XLQCVYYLLWOWBT-MRXNPFEDSA-N 1 3 338.496 0.751 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225416 733068698 /nfs/dbraw/zinc/06/86/98/733068698.db2.gz USCMWRKPYWMGCZ-HNNXBMFYSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC000970792646 733943468 /nfs/dbraw/zinc/94/34/68/733943468.db2.gz QYOUGDOPWZKVIT-SJORKVTESA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1=O ZINC001210811748 734029997 /nfs/dbraw/zinc/02/99/97/734029997.db2.gz QKENGLGHMLKVRU-HZPDHXFCSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000970919739 734089513 /nfs/dbraw/zinc/08/95/13/734089513.db2.gz FVEKRMJVKGBNEH-HZPDHXFCSA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@H](C)O)C3)CC1 ZINC000982162351 751652255 /nfs/dbraw/zinc/65/22/55/751652255.db2.gz PRPRHSCBGTXYNJ-INIZCTEOSA-N 1 3 333.476 0.637 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@H](C)O)C3)CC1 ZINC000982162351 751652257 /nfs/dbraw/zinc/65/22/57/751652257.db2.gz PRPRHSCBGTXYNJ-INIZCTEOSA-N 1 3 333.476 0.637 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001029004409 743163303 /nfs/dbraw/zinc/16/33/03/743163303.db2.gz WJEDCHBQYVSYPX-QGZVFWFLSA-N 1 3 343.475 0.666 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001029004409 743163311 /nfs/dbraw/zinc/16/33/11/743163311.db2.gz WJEDCHBQYVSYPX-QGZVFWFLSA-N 1 3 343.475 0.666 20 30 ECEDHO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261962329 743188756 /nfs/dbraw/zinc/18/87/56/743188756.db2.gz KOKXRKDZPRWPQC-DJIMGWMZSA-N 1 3 336.528 0.270 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551141 746419748 /nfs/dbraw/zinc/41/97/48/746419748.db2.gz DEMGKBITHQZLQR-HSPZGVKFSA-N 1 3 329.444 0.167 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551141 746419750 /nfs/dbraw/zinc/41/97/50/746419750.db2.gz DEMGKBITHQZLQR-HSPZGVKFSA-N 1 3 329.444 0.167 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC000979091287 747160344 /nfs/dbraw/zinc/16/03/44/747160344.db2.gz RFRCBFQVDNPFPC-LEUOFYLZSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC000979091287 747160348 /nfs/dbraw/zinc/16/03/48/747160348.db2.gz RFRCBFQVDNPFPC-LEUOFYLZSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000938097810 753256975 /nfs/dbraw/zinc/25/69/75/753256975.db2.gz YUGBGSCCNMFOEC-IRXDYDNUSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000938097810 753256982 /nfs/dbraw/zinc/25/69/82/753256982.db2.gz YUGBGSCCNMFOEC-IRXDYDNUSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC000989828529 754497359 /nfs/dbraw/zinc/49/73/59/754497359.db2.gz FDUDYCYASLNWKQ-QAPCUYQASA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335466 754629106 /nfs/dbraw/zinc/62/91/06/754629106.db2.gz JXMCKJFKJYDNNC-MRXNPFEDSA-N 1 3 348.491 0.486 20 30 ECEDHO C[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000261860755 754656429 /nfs/dbraw/zinc/65/64/29/754656429.db2.gz RDLSARVFMQGEGQ-INIZCTEOSA-N 1 3 338.496 0.911 20 30 ECEDHO C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598446 760551577 /nfs/dbraw/zinc/55/15/77/760551577.db2.gz GNLMFOXTMRFVBX-WUJZJPHMSA-N 1 3 329.444 0.407 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066466 760693341 /nfs/dbraw/zinc/69/33/41/760693341.db2.gz PGNXKNQOABFSQX-OAHLLOKOSA-N 1 3 337.468 0.327 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066466 760693345 /nfs/dbraw/zinc/69/33/45/760693345.db2.gz PGNXKNQOABFSQX-OAHLLOKOSA-N 1 3 337.468 0.327 20 30 ECEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344081 768336729 /nfs/dbraw/zinc/33/67/29/768336729.db2.gz FSUMGIAVLIXNFA-HOTGVXAUSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344081 768336736 /nfs/dbraw/zinc/33/67/36/768336736.db2.gz FSUMGIAVLIXNFA-HOTGVXAUSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@H](C)O)CC3)CC1 ZINC001016984095 767438078 /nfs/dbraw/zinc/43/80/78/767438078.db2.gz CQHLDPGALBYPRA-DOTOQJQBSA-N 1 3 333.476 0.683 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019230900 771033481 /nfs/dbraw/zinc/03/34/81/771033481.db2.gz AIYPHJBTCSNEHD-JKSUJKDBSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198276 783641047 /nfs/dbraw/zinc/64/10/47/783641047.db2.gz XJOUEHYMDCIWAJ-JJXSEGSLSA-N 1 3 332.452 0.536 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198276 783641050 /nfs/dbraw/zinc/64/10/50/783641050.db2.gz XJOUEHYMDCIWAJ-JJXSEGSLSA-N 1 3 332.452 0.536 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC)C2)CC1 ZINC001070720771 784594366 /nfs/dbraw/zinc/59/43/66/784594366.db2.gz HQCISMUUYNUTCK-IAGOWNOFSA-N 1 3 343.475 0.669 20 30 ECEDHO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCN(CC#C)CC2)C1 ZINC001073899561 787475764 /nfs/dbraw/zinc/47/57/64/787475764.db2.gz XCEGVENXUVOVBF-SFHVURJKSA-N 1 3 331.460 0.562 20 30 ECEDHO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(CC#C)CC2)C1 ZINC001073899561 787475766 /nfs/dbraw/zinc/47/57/66/787475766.db2.gz XCEGVENXUVOVBF-SFHVURJKSA-N 1 3 331.460 0.562 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876388 836423485 /nfs/dbraw/zinc/42/34/85/836423485.db2.gz LYJONCDEHRNWFL-HOTGVXAUSA-N 1 3 348.491 0.437 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001266880530 836427691 /nfs/dbraw/zinc/42/76/91/836427691.db2.gz LIWMBWWLBCEUPP-JKSUJKDBSA-N 1 3 336.480 0.437 20 30 ECEDHO C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267001383 836591970 /nfs/dbraw/zinc/59/19/70/836591970.db2.gz OWDNEAOEOKSSED-JKSUJKDBSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267044615 836671305 /nfs/dbraw/zinc/67/13/05/836671305.db2.gz KFZNLJNHQPCXCC-HUUCEWRRSA-N 1 3 334.464 0.047 20 30 ECEDHO C[C@@H](C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001267965589 838881106 /nfs/dbraw/zinc/88/11/06/838881106.db2.gz LZAODXLWOXJJGY-JKSUJKDBSA-N 1 3 349.479 0.471 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001268040910 839153533 /nfs/dbraw/zinc/15/35/33/839153533.db2.gz DCUGONJVGOKSDF-GJZGRUSLSA-N 1 3 336.480 0.483 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000333156325 276861948 /nfs/dbraw/zinc/86/19/48/276861948.db2.gz FSRXJMSXMUQOEQ-KRWDZBQOSA-N 1 3 335.496 0.716 20 30 ECEDHO CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000329646106 279258133 /nfs/dbraw/zinc/25/81/33/279258133.db2.gz IVBUIIVHKLVZAH-OAHLLOKOSA-N 1 3 325.501 0.858 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000112913933 436634557 /nfs/dbraw/zinc/63/45/57/436634557.db2.gz ABJQALCSFTYJNA-SFHVURJKSA-N 1 3 334.508 0.720 20 30 ECEDHO CN(C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133856193 436884414 /nfs/dbraw/zinc/88/44/14/436884414.db2.gz OREYSGQRFHGQCK-ZDUSSCGKSA-N 1 3 325.457 0.819 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909765 436961100 /nfs/dbraw/zinc/96/11/00/436961100.db2.gz LMWMPVPNTUAGSF-OAHLLOKOSA-N 1 3 329.448 0.964 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149375 437019252 /nfs/dbraw/zinc/01/92/52/437019252.db2.gz YSDGOMGYWGIYMJ-OAHLLOKOSA-N 1 3 347.463 0.814 20 30 ECEDHO COCCNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000267421358 437327830 /nfs/dbraw/zinc/32/78/30/437327830.db2.gz KTKCZAIBMSJIDJ-INIZCTEOSA-N 1 3 347.463 0.435 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419570398 438363609 /nfs/dbraw/zinc/36/36/09/438363609.db2.gz NJHWWSPYIQTCLX-HZPDHXFCSA-N 1 3 336.480 0.751 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419727544 438369485 /nfs/dbraw/zinc/36/94/85/438369485.db2.gz LQXMTGNBDAVEBI-GOEBONIOSA-N 1 3 336.480 0.729 20 30 ECEDHO N#Cc1ncn(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601965054 438992318 /nfs/dbraw/zinc/99/23/18/438992318.db2.gz MTIGRKVNFFJPSQ-QGZVFWFLSA-N 1 3 326.404 0.376 20 30 ECEDHO N#Cc1ncn(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601965054 438992322 /nfs/dbraw/zinc/99/23/22/438992322.db2.gz MTIGRKVNFFJPSQ-QGZVFWFLSA-N 1 3 326.404 0.376 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000581006944 439157040 /nfs/dbraw/zinc/15/70/40/439157040.db2.gz XPZGLBUTTIERAV-DLBZAZTESA-N 1 3 346.479 0.897 20 30 ECEDHO C#CCNC(=O)CC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000491626442 439415244 /nfs/dbraw/zinc/41/52/44/439415244.db2.gz JWBNIXMSFBGRIK-UHFFFAOYSA-N 1 3 329.448 0.323 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000559717222 322224336 /nfs/dbraw/zinc/22/43/36/322224336.db2.gz ZOCPMGBQUCIAKK-UHFFFAOYSA-N 1 3 345.447 0.126 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078656 590735113 /nfs/dbraw/zinc/73/51/13/590735113.db2.gz RSLCZUYJXKDZLL-GOSISDBHSA-N 1 3 349.523 0.801 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415663 /nfs/dbraw/zinc/41/56/63/611415663.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415667 /nfs/dbraw/zinc/41/56/67/611415667.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 1 3 343.471 0.653 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566323 610386311 /nfs/dbraw/zinc/38/63/11/610386311.db2.gz BNMBYFIYHUQHNJ-SJLPKXTDSA-N 1 3 334.508 0.979 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566323 610386314 /nfs/dbraw/zinc/38/63/14/610386314.db2.gz BNMBYFIYHUQHNJ-SJLPKXTDSA-N 1 3 334.508 0.979 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189311 611894406 /nfs/dbraw/zinc/89/44/06/611894406.db2.gz PKRRLBRXTJSQJF-SJORKVTESA-N 1 3 333.476 0.901 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189311 611894408 /nfs/dbraw/zinc/89/44/08/611894408.db2.gz PKRRLBRXTJSQJF-SJORKVTESA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC000970789008 733941567 /nfs/dbraw/zinc/94/15/67/733941567.db2.gz SIBZMEXOHTUTIW-QGZVFWFLSA-N 1 3 346.475 0.145 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926098 /nfs/dbraw/zinc/92/60/98/736926098.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 1 3 331.460 0.701 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926100 /nfs/dbraw/zinc/92/61/00/736926100.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 1 3 331.460 0.701 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026040883 740326763 /nfs/dbraw/zinc/32/67/63/740326763.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 1 3 346.475 0.304 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026040883 740326766 /nfs/dbraw/zinc/32/67/66/740326766.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 1 3 346.475 0.304 20 30 ECEDHO C#CCCNCc1cn(C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001105276886 741627702 /nfs/dbraw/zinc/62/77/02/741627702.db2.gz WTJCGKQFBPOPNP-UHFFFAOYSA-N 1 3 349.398 0.736 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001027234194 743247276 /nfs/dbraw/zinc/24/72/76/743247276.db2.gz RCRHEVUWZXZHSV-MRXNPFEDSA-N 1 3 343.475 0.703 20 30 ECEDHO CCN(CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100377798 751941379 /nfs/dbraw/zinc/94/13/79/751941379.db2.gz LSEOQDIHUARMSH-GPANFISMSA-N 1 3 327.444 0.801 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000711744 745715750 /nfs/dbraw/zinc/71/57/50/745715750.db2.gz PPJWYLMIRPOXBG-HOTGVXAUSA-N 1 3 346.475 0.450 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC000984802905 746973029 /nfs/dbraw/zinc/97/30/29/746973029.db2.gz FHKRSZZJIYLJEB-QAETUUGQSA-N 1 3 348.491 0.600 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047398 747144751 /nfs/dbraw/zinc/14/47/51/747144751.db2.gz WXPFJDHLUFWCMV-QGRXYFRJSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047398 747144756 /nfs/dbraw/zinc/14/47/56/747144756.db2.gz WXPFJDHLUFWCMV-QGRXYFRJSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901158 751256940 /nfs/dbraw/zinc/25/69/40/751256940.db2.gz CKSIZOFQZUCWDC-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901158 751256943 /nfs/dbraw/zinc/25/69/43/751256943.db2.gz CKSIZOFQZUCWDC-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001021090404 752530566 /nfs/dbraw/zinc/53/05/66/752530566.db2.gz USBYFGNDLGYRGZ-BRWVUGGUSA-N 1 3 346.475 0.189 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001021096360 752537457 /nfs/dbraw/zinc/53/74/57/752537457.db2.gz OUWTVPQQWXAPBD-VQHPVUNQSA-N 1 3 348.491 0.885 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049083407 757914916 /nfs/dbraw/zinc/91/49/16/757914916.db2.gz BXDFZDZNKVEJLF-LZWOXQAQSA-N 1 3 343.431 0.129 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049083407 757914921 /nfs/dbraw/zinc/91/49/21/757914921.db2.gz BXDFZDZNKVEJLF-LZWOXQAQSA-N 1 3 343.431 0.129 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996671079 758433712 /nfs/dbraw/zinc/43/37/12/758433712.db2.gz LREDLNWOXIFAJD-HIFRSBDPSA-N 1 3 334.464 0.032 20 30 ECEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107036458 759463546 /nfs/dbraw/zinc/46/35/46/759463546.db2.gz LLOJSMGFTUIYNS-OAGGEKHMSA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001032207241 759629806 /nfs/dbraw/zinc/62/98/06/759629806.db2.gz JCODRLYSZMWLHZ-MRXNPFEDSA-N 1 3 333.476 0.806 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707244 760041795 /nfs/dbraw/zinc/04/17/95/760041795.db2.gz XAILWUIITKEXFF-JKSUJKDBSA-N 1 3 336.480 0.623 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707244 760041808 /nfs/dbraw/zinc/04/18/08/760041808.db2.gz XAILWUIITKEXFF-JKSUJKDBSA-N 1 3 336.480 0.623 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060103 764917881 /nfs/dbraw/zinc/91/78/81/764917881.db2.gz TWBPIBNIDVTZNL-RYRKJORJSA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060103 764917889 /nfs/dbraw/zinc/91/78/89/764917889.db2.gz TWBPIBNIDVTZNL-RYRKJORJSA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046036390 766726803 /nfs/dbraw/zinc/72/68/03/766726803.db2.gz ITHJBNGZAXKAJO-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036390 766726812 /nfs/dbraw/zinc/72/68/12/766726812.db2.gz ITHJBNGZAXKAJO-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001046040255 766746437 /nfs/dbraw/zinc/74/64/37/766746437.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040255 766746446 /nfs/dbraw/zinc/74/64/46/766746446.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513875 766753885 /nfs/dbraw/zinc/75/38/85/766753885.db2.gz WZZBKRRYXQZGSH-SUMDDJOVSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513875 766753889 /nfs/dbraw/zinc/75/38/89/766753889.db2.gz WZZBKRRYXQZGSH-SUMDDJOVSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085812 766927610 /nfs/dbraw/zinc/92/76/10/766927610.db2.gz RMUNQHSHGOHHNE-MOPGFXCFSA-N 1 3 346.519 0.959 20 30 ECEDHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106668463 768583249 /nfs/dbraw/zinc/58/32/49/768583249.db2.gz LPMZVXUASFBUSD-HUUCEWRRSA-N 1 3 349.479 0.042 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106785144 768965005 /nfs/dbraw/zinc/96/50/05/768965005.db2.gz XXDNRJDJFOMIPT-OWCLPIDISA-N 1 3 336.480 0.150 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070500800 784197580 /nfs/dbraw/zinc/19/75/80/784197580.db2.gz IBYVXNTXOOSFFI-UAGQMJEPSA-N 1 3 331.464 0.830 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710538 784579375 /nfs/dbraw/zinc/57/93/75/784579375.db2.gz GBNUSTCSDQIDDA-ARFHVFGLSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710538 784579381 /nfs/dbraw/zinc/57/93/81/784579381.db2.gz GBNUSTCSDQIDDA-ARFHVFGLSA-N 1 3 329.448 0.279 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203667 /nfs/dbraw/zinc/20/36/67/790203667.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 1 3 346.479 0.926 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203671 /nfs/dbraw/zinc/20/36/71/790203671.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 1 3 346.479 0.926 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781476 /nfs/dbraw/zinc/78/14/76/837781476.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 1 3 336.480 0.459 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781482 /nfs/dbraw/zinc/78/14/82/837781482.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 1 3 336.480 0.459 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444765 835848416 /nfs/dbraw/zinc/84/84/16/835848416.db2.gz DQIHCDSDUUQNBR-SJORKVTESA-N 1 3 346.475 0.047 20 30 ECEDHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716850 836191529 /nfs/dbraw/zinc/19/15/29/836191529.db2.gz QZOJNMSNDYRILH-ZNMIVQPWSA-N 1 3 335.452 0.126 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881584 836430273 /nfs/dbraw/zinc/43/02/73/836430273.db2.gz YIOUFKRBLQKCCQ-JKSUJKDBSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001267116672 836810883 /nfs/dbraw/zinc/81/08/83/836810883.db2.gz DVLCRGOQRFXGNV-UHFFFAOYSA-N 1 3 334.464 0.002 20 30 ECEDHO COCC#CCN(CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001267338143 837222468 /nfs/dbraw/zinc/22/24/68/837222468.db2.gz RECAQRBWCJMTPD-INIZCTEOSA-N 1 3 337.464 0.185 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(C[NH2+][C@@H]3CCNC3=O)CCCC2)CC1 ZINC001267847500 838646147 /nfs/dbraw/zinc/64/61/47/838646147.db2.gz YHSUMHYUABLFFG-MRXNPFEDSA-N 1 3 346.475 0.239 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419734090 254773799 /nfs/dbraw/zinc/77/37/99/254773799.db2.gz VBJCTAUPUZRUQD-GDBMZVCRSA-N 1 3 336.480 0.777 20 30 ECEDHO CC[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(CC(C)C)CC1 ZINC000262768638 278168548 /nfs/dbraw/zinc/16/85/48/278168548.db2.gz GWMJMESOCRVPKB-KRWDZBQOSA-N 1 3 336.528 0.225 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000264100118 437017360 /nfs/dbraw/zinc/01/73/60/437017360.db2.gz MNRPQTFAVFTEKM-CYBMUJFWSA-N 1 3 339.465 0.223 20 30 ECEDHO COCCNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000267421359 437327401 /nfs/dbraw/zinc/32/74/01/437327401.db2.gz KTKCZAIBMSJIDJ-MRXNPFEDSA-N 1 3 347.463 0.435 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343757530 437646907 /nfs/dbraw/zinc/64/69/07/437646907.db2.gz GHELJHKKONIQIE-HOCLYGCPSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343757530 437646914 /nfs/dbraw/zinc/64/69/14/437646914.db2.gz GHELJHKKONIQIE-HOCLYGCPSA-N 1 3 336.480 0.742 20 30 ECEDHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331099398 437686519 /nfs/dbraw/zinc/68/65/19/437686519.db2.gz CFFBUXLMMDNBGN-CABCVRRESA-N 1 3 339.484 0.479 20 30 ECEDHO CN(CCC#N)C(=O)CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362490032 437740412 /nfs/dbraw/zinc/74/04/12/437740412.db2.gz YTDKHIQIULCBOY-KRWDZBQOSA-N 1 3 335.496 0.849 20 30 ECEDHO CN(CCC#N)C(=O)CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362490032 437740418 /nfs/dbraw/zinc/74/04/18/437740418.db2.gz YTDKHIQIULCBOY-KRWDZBQOSA-N 1 3 335.496 0.849 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340826832 437746516 /nfs/dbraw/zinc/74/65/16/437746516.db2.gz OVWNQSQHRHZRCT-CVEARBPZSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340826832 437746518 /nfs/dbraw/zinc/74/65/18/437746518.db2.gz OVWNQSQHRHZRCT-CVEARBPZSA-N 1 3 334.464 0.496 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419727109 438370474 /nfs/dbraw/zinc/37/04/74/438370474.db2.gz KVWMYFHOTXLDTO-HUUCEWRRSA-N 1 3 336.480 0.586 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419702655 438370500 /nfs/dbraw/zinc/37/05/00/438370500.db2.gz BNMASQVOAWEVMN-UHFFFAOYSA-N 1 3 336.480 0.921 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)CC1 ZINC000557631887 438803429 /nfs/dbraw/zinc/80/34/29/438803429.db2.gz NYZGQRBSXKUATI-QGZVFWFLSA-N 1 3 334.464 0.934 20 30 ECEDHO C[NH+](C)C1CCN(CCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000567888393 439191660 /nfs/dbraw/zinc/19/16/60/439191660.db2.gz CZKOBIUJFBTRHK-UHFFFAOYSA-N 1 3 327.436 0.717 20 30 ECEDHO CN(CCC#N)C[C@@H](O)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000581998184 439277024 /nfs/dbraw/zinc/27/70/24/439277024.db2.gz YSDNCCWCYQMCEZ-SFHVURJKSA-N 1 3 337.512 0.341 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491716234 439435289 /nfs/dbraw/zinc/43/52/89/439435289.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 1 3 349.523 0.753 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000491716234 439435292 /nfs/dbraw/zinc/43/52/92/439435292.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 1 3 349.523 0.753 20 30 ECEDHO N#CCCCC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443235 439562536 /nfs/dbraw/zinc/56/25/36/439562536.db2.gz BCOZDSHGHFPEQZ-VXGBXAGGSA-N 1 3 335.374 0.350 20 30 ECEDHO N#Cc1ccc(N2CCC(NC[C@@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000600722178 439695885 /nfs/dbraw/zinc/69/58/85/439695885.db2.gz GTBFJIQNVDDBIA-QGZVFWFLSA-N 1 3 329.448 0.968 20 30 ECEDHO C=CC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710993 439853908 /nfs/dbraw/zinc/85/39/08/439853908.db2.gz KPZGVHRJXXJESM-QAPCUYQASA-N 1 3 336.480 0.744 20 30 ECEDHO CNC(=O)C1(NCC#CC[NH2+]C2(C(=O)NC)CCCC2)CCCC1 ZINC000792869464 578916647 /nfs/dbraw/zinc/91/66/47/578916647.db2.gz CKDXDKBMMCSMRO-UHFFFAOYSA-N 1 3 334.464 0.287 20 30 ECEDHO N#C[C@H]1CNC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000834484930 588902478 /nfs/dbraw/zinc/90/24/78/588902478.db2.gz PFCSPSMUJBBHBR-FUHWJXTLSA-N 1 3 341.459 0.817 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000900592243 586645094 /nfs/dbraw/zinc/64/50/94/586645094.db2.gz XHEMLIFPVNGZEQ-WCVJEAGWSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000900592243 586645096 /nfs/dbraw/zinc/64/50/96/586645096.db2.gz XHEMLIFPVNGZEQ-WCVJEAGWSA-N 1 3 334.464 0.209 20 30 ECEDHO C#CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000848221123 589283796 /nfs/dbraw/zinc/28/37/96/589283796.db2.gz PIFQEFQODAYBII-KRWDZBQOSA-N 1 3 349.475 0.864 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970177842 733134209 /nfs/dbraw/zinc/13/42/09/733134209.db2.gz ILDCDSLVZGUMQH-IAGOWNOFSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227450 782523665 /nfs/dbraw/zinc/52/36/65/782523665.db2.gz ZVRWHGXEVCLJTP-RCCFBDPRSA-N 1 3 349.475 0.062 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227450 782523671 /nfs/dbraw/zinc/52/36/71/782523671.db2.gz ZVRWHGXEVCLJTP-RCCFBDPRSA-N 1 3 349.475 0.062 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178735 737800759 /nfs/dbraw/zinc/80/07/59/737800759.db2.gz DGWXNZGJDNOAGL-HOCLYGCPSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676674 739458153 /nfs/dbraw/zinc/45/81/53/739458153.db2.gz SZDLRCJGFQZRCT-BRWVUGGUSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001025629553 739794563 /nfs/dbraw/zinc/79/45/63/739794563.db2.gz IIOURKYKNMKMFN-AEFFLSMTSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629553 739794565 /nfs/dbraw/zinc/79/45/65/739794565.db2.gz IIOURKYKNMKMFN-AEFFLSMTSA-N 1 3 335.492 0.931 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043574 740336545 /nfs/dbraw/zinc/33/65/45/740336545.db2.gz NVZSNMWJNRJCET-RNGZQALNSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043574 740336549 /nfs/dbraw/zinc/33/65/49/740336549.db2.gz NVZSNMWJNRJCET-RNGZQALNSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105260022 741583904 /nfs/dbraw/zinc/58/39/04/741583904.db2.gz XLYUPNXEBLDZED-INIZCTEOSA-N 1 3 332.452 0.667 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001027234193 743247490 /nfs/dbraw/zinc/24/74/90/743247490.db2.gz RCRHEVUWZXZHSV-INIZCTEOSA-N 1 3 343.475 0.703 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591308 751857986 /nfs/dbraw/zinc/85/79/86/751857986.db2.gz KKSQELUUIJSIER-BZUAXINKSA-N 1 3 348.491 0.742 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999347326 744641958 /nfs/dbraw/zinc/64/19/58/744641958.db2.gz JEEIMAOSKPSQNO-JKSUJKDBSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000999877052 744985863 /nfs/dbraw/zinc/98/58/63/744985863.db2.gz XXFMTDMBEXNTFD-JCYILVPMSA-N 1 3 346.475 0.141 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncn3C)C2)CC1 ZINC000985148393 747467829 /nfs/dbraw/zinc/46/78/29/747467829.db2.gz IIISDEYDXIMORL-JCNLHEQBSA-N 1 3 343.475 0.750 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985793461 749115766 /nfs/dbraw/zinc/11/57/66/749115766.db2.gz RRKQIBFWSOBODJ-QGZVFWFLSA-N 1 3 348.491 0.792 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985793461 749115772 /nfs/dbraw/zinc/11/57/72/749115772.db2.gz RRKQIBFWSOBODJ-QGZVFWFLSA-N 1 3 348.491 0.792 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661976 755373014 /nfs/dbraw/zinc/37/30/14/755373014.db2.gz LUTLZRMNQUFSIU-FPAYPSAMSA-N 1 3 335.492 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC(C)C)C[C@@H]2O)CC1 ZINC001047638561 759374722 /nfs/dbraw/zinc/37/47/22/759374722.db2.gz YJZXENISIIKZJH-ROUUACIJSA-N 1 3 335.492 0.881 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC(C)C)C[C@@H]2O)CC1 ZINC001047638561 759374735 /nfs/dbraw/zinc/37/47/35/759374735.db2.gz YJZXENISIIKZJH-ROUUACIJSA-N 1 3 335.492 0.881 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001032206622 759637079 /nfs/dbraw/zinc/63/70/79/759637079.db2.gz FHGCBPBRRSQAPF-AZUAARDMSA-N 1 3 345.487 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001032206632 759637148 /nfs/dbraw/zinc/63/71/48/759637148.db2.gz FHGCBPBRRSQAPF-ICSRJNTNSA-N 1 3 345.487 0.806 20 30 ECEDHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932011 763371119 /nfs/dbraw/zinc/37/11/19/763371119.db2.gz KGGDEGRYNSKQCB-UONOGXRCSA-N 1 3 348.472 0.888 20 30 ECEDHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932011 763371130 /nfs/dbraw/zinc/37/11/30/763371130.db2.gz KGGDEGRYNSKQCB-UONOGXRCSA-N 1 3 348.472 0.888 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036856 766729524 /nfs/dbraw/zinc/72/95/24/766729524.db2.gz HTIAWWJGQCIXEF-MSOLQXFVSA-N 1 3 334.508 0.814 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845931 /nfs/dbraw/zinc/84/59/31/766845931.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845941 /nfs/dbraw/zinc/84/59/41/766845941.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046074122 766889884 /nfs/dbraw/zinc/88/98/84/766889884.db2.gz SKFXCXQVNLSNNE-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046074122 766889889 /nfs/dbraw/zinc/88/98/89/766889889.db2.gz SKFXCXQVNLSNNE-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019088152 770756374 /nfs/dbraw/zinc/75/63/74/770756374.db2.gz LEYJBBCRTMLVDO-JKSUJKDBSA-N 1 3 346.475 0.592 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070499230 784196341 /nfs/dbraw/zinc/19/63/41/784196341.db2.gz ISTNXLHVADHYLW-GOEBONIOSA-N 1 3 331.464 0.974 20 30 ECEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700670 787000120 /nfs/dbraw/zinc/00/01/20/787000120.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 1 3 349.475 0.633 20 30 ECEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700670 787000130 /nfs/dbraw/zinc/00/01/30/787000130.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 1 3 349.475 0.633 20 30 ECEDHO CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741270 787096677 /nfs/dbraw/zinc/09/66/77/787096677.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 1 3 337.464 0.326 20 30 ECEDHO CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741270 787096685 /nfs/dbraw/zinc/09/66/85/787096685.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 1 3 337.464 0.326 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)CC1 ZINC001072680499 788582094 /nfs/dbraw/zinc/58/20/94/788582094.db2.gz WLYRRZJETBDZPD-NVXWUHKLSA-N 1 3 348.491 0.246 20 30 ECEDHO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001075415579 789343064 /nfs/dbraw/zinc/34/30/64/789343064.db2.gz LTUSXKNTRYHBCA-SJLPKXTDSA-N 1 3 330.432 0.961 20 30 ECEDHO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267488122 837553082 /nfs/dbraw/zinc/55/30/82/837553082.db2.gz YSSKBQOYHNARAX-CQSZACIVSA-N 1 3 349.479 0.327 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267490070 837555696 /nfs/dbraw/zinc/55/56/96/837555696.db2.gz FNEBGYHGYRAKCN-GOEBONIOSA-N 1 3 334.464 0.047 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H](CC)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267811103 838592913 /nfs/dbraw/zinc/59/29/13/838592913.db2.gz PNWXRRWIOFEEHW-HOTGVXAUSA-N 1 3 348.491 0.886 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(=O)N2CCCC2)CC1 ZINC001267831708 838625164 /nfs/dbraw/zinc/62/51/64/838625164.db2.gz SKOUSMGPAYLTRQ-QGZVFWFLSA-N 1 3 348.491 0.438 20 30 ECEDHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419955217 209260010 /nfs/dbraw/zinc/26/00/10/209260010.db2.gz MTKADHJGCMBNSW-CQSZACIVSA-N 1 3 345.447 0.159 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000419574186 277849801 /nfs/dbraw/zinc/84/98/01/277849801.db2.gz UDAUHOUEUJHYTL-JKSUJKDBSA-N 1 3 336.480 0.669 20 30 ECEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])N2CCOCC2)CC1 ZINC000264075530 437015157 /nfs/dbraw/zinc/01/51/57/437015157.db2.gz FNAAKQHAJFSOJB-UHFFFAOYSA-N 1 3 345.491 0.971 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000182736958 437360850 /nfs/dbraw/zinc/36/08/50/437360850.db2.gz MQGHFUNLUWZZDJ-UHFFFAOYSA-N 1 3 337.512 0.916 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000343733026 437640601 /nfs/dbraw/zinc/64/06/01/437640601.db2.gz AHJJJSPCWKVHDV-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733026 437640606 /nfs/dbraw/zinc/64/06/06/437640606.db2.gz AHJJJSPCWKVHDV-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000343743958 437644427 /nfs/dbraw/zinc/64/44/27/437644427.db2.gz WTMIBBXNZMWAMH-KRWDZBQOSA-N 1 3 348.491 0.840 20 30 ECEDHO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370353 438079732 /nfs/dbraw/zinc/07/97/32/438079732.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 1 3 347.507 0.895 20 30 ECEDHO C#CCNC(=O)CCNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000491485957 439390869 /nfs/dbraw/zinc/39/08/69/439390869.db2.gz RRYJSPFJNMYFKB-UHFFFAOYSA-N 1 3 330.432 0.207 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000491652181 439418836 /nfs/dbraw/zinc/41/88/36/439418836.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 1 3 335.496 0.363 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000491652181 439418842 /nfs/dbraw/zinc/41/88/42/439418842.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 1 3 335.496 0.363 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491660208 439422556 /nfs/dbraw/zinc/42/25/56/439422556.db2.gz NXCACXZCCAAVLT-MRXNPFEDSA-N 1 3 336.480 0.742 20 30 ECEDHO CN1CCN(CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600715231 439693971 /nfs/dbraw/zinc/69/39/71/439693971.db2.gz AJWNWKWEBNJNNL-GOSISDBHSA-N 1 3 346.475 0.915 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621846258 546576330 /nfs/dbraw/zinc/57/63/30/546576330.db2.gz YQSSKFDXECGSTI-KSSFIOAISA-N 1 3 334.464 0.483 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000170909022 609754199 /nfs/dbraw/zinc/75/41/99/609754199.db2.gz HTNCDWBRGIJQRF-ZDUSSCGKSA-N 1 3 343.431 0.671 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC000970333863 733376621 /nfs/dbraw/zinc/37/66/21/733376621.db2.gz BHCYFKLHDXAFBH-IAGOWNOFSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809586 740543222 /nfs/dbraw/zinc/54/32/22/740543222.db2.gz LJKVVLDKCCSXLJ-HZPDHXFCSA-N 1 3 338.496 0.705 20 30 ECEDHO C[C@@H]1CCN(CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787999 742865284 /nfs/dbraw/zinc/86/52/84/742865284.db2.gz HQMMTIZVCOKZHB-WWDZGPRUSA-N 1 3 347.507 0.897 20 30 ECEDHO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](N2CCCCC2)C1 ZINC000262458601 747597779 /nfs/dbraw/zinc/59/77/79/747597779.db2.gz LWMWTINWKIWAIT-AWEZNQCLSA-N 1 3 331.468 0.860 20 30 ECEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001088350310 748871973 /nfs/dbraw/zinc/87/19/73/748871973.db2.gz UJJFGNNXEDUVGL-ISXWCOSWSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC001021089214 752529249 /nfs/dbraw/zinc/52/92/49/752529249.db2.gz BFWTWMZZONFXSX-IYARVYRRSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)C(N)=O)CC2)CC1 ZINC001168307895 754268960 /nfs/dbraw/zinc/26/89/60/754268960.db2.gz LFHHHCYWMVOLMD-AWEZNQCLSA-N 1 3 334.464 0.082 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345596 754766201 /nfs/dbraw/zinc/76/62/01/754766201.db2.gz RMNGHBVQSCMOBX-HNNXBMFYSA-N 1 3 336.480 0.341 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)O)CC1 ZINC001021469578 757483712 /nfs/dbraw/zinc/48/37/12/757483712.db2.gz HLAABYPPQFGDII-CCNLRDMRSA-N 1 3 333.476 0.824 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001021469578 757483717 /nfs/dbraw/zinc/48/37/17/757483717.db2.gz HLAABYPPQFGDII-CCNLRDMRSA-N 1 3 333.476 0.824 20 30 ECEDHO C#CCN1CCC2(C[C@@H]2NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001016625268 766622915 /nfs/dbraw/zinc/62/29/15/766622915.db2.gz GFSOMLKWLNZSIM-INIZCTEOSA-N 1 3 329.448 0.662 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026033 766681247 /nfs/dbraw/zinc/68/12/47/766681247.db2.gz BEIZHJIZTRTWTQ-RBUKOAKNSA-N 1 3 344.503 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035029 766718461 /nfs/dbraw/zinc/71/84/61/766718461.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035029 766718469 /nfs/dbraw/zinc/71/84/69/766718469.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039275 766742451 /nfs/dbraw/zinc/74/24/51/766742451.db2.gz OVDAAJLKULVXIL-SFHVURJKSA-N 1 3 344.503 0.714 20 30 ECEDHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741502 766829012 /nfs/dbraw/zinc/82/90/12/766829012.db2.gz YEPURBYMIDPPOF-MUZJZNNISA-N 1 3 343.471 0.844 20 30 ECEDHO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168690 767765301 /nfs/dbraw/zinc/76/53/01/767765301.db2.gz GZZZUWDATWUMDQ-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168690 767765304 /nfs/dbraw/zinc/76/53/04/767765304.db2.gz GZZZUWDATWUMDQ-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046744 790441698 /nfs/dbraw/zinc/44/16/98/790441698.db2.gz MEFRWBCTKAOFNI-SJORKVTESA-N 1 3 346.479 0.928 20 30 ECEDHO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C2CCN(CC#C)CC2)C1 ZINC001073899560 787475499 /nfs/dbraw/zinc/47/54/99/787475499.db2.gz XCEGVENXUVOVBF-GOSISDBHSA-N 1 3 331.460 0.562 20 30 ECEDHO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(CC#C)CC2)C1 ZINC001073899560 787475504 /nfs/dbraw/zinc/47/55/04/787475504.db2.gz XCEGVENXUVOVBF-GOSISDBHSA-N 1 3 331.460 0.562 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)[C@@H]2C)CC1 ZINC001075129100 788947427 /nfs/dbraw/zinc/94/74/27/788947427.db2.gz WNFHFEUIOFPDOH-XIRDDKMYSA-N 1 3 346.475 0.141 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267071963 836716900 /nfs/dbraw/zinc/71/69/00/836716900.db2.gz ZTMZUZMQAAIOTB-HOTGVXAUSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000419575609 277850054 /nfs/dbraw/zinc/85/00/54/277850054.db2.gz WNSYFRADBDQPRU-IXDOHACOSA-N 1 3 348.491 0.479 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000293527799 436884404 /nfs/dbraw/zinc/88/44/04/436884404.db2.gz ZPGUCHUDKXNTCK-UHFFFAOYSA-N 1 3 344.459 0.801 20 30 ECEDHO C=CCNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000267411994 437327749 /nfs/dbraw/zinc/32/77/49/437327749.db2.gz INKKRSRGNOHADU-INIZCTEOSA-N 1 3 329.448 0.974 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000339635045 437481055 /nfs/dbraw/zinc/48/10/55/437481055.db2.gz NLQSTXRNKBNDJF-UHFFFAOYSA-N 1 3 336.480 0.742 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000343734569 437640204 /nfs/dbraw/zinc/64/02/04/437640204.db2.gz ZTLRLDNSFOELEM-UHFFFAOYSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000343737078 437642741 /nfs/dbraw/zinc/64/27/41/437642741.db2.gz HYKURBXDVORABX-ZFWWWQNUSA-N 1 3 334.464 0.494 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340513247 437679100 /nfs/dbraw/zinc/67/91/00/437679100.db2.gz XJUZBHPUQYDTLP-HNNXBMFYSA-N 1 3 348.491 0.744 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340513247 437679109 /nfs/dbraw/zinc/67/91/09/437679109.db2.gz XJUZBHPUQYDTLP-HNNXBMFYSA-N 1 3 348.491 0.744 20 30 ECEDHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331099399 437687283 /nfs/dbraw/zinc/68/72/83/437687283.db2.gz CFFBUXLMMDNBGN-HUUCEWRRSA-N 1 3 339.484 0.479 20 30 ECEDHO C#CCNC(=O)CC[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000491383994 439374582 /nfs/dbraw/zinc/37/45/82/439374582.db2.gz NFTHOZGYGFHEPE-UHFFFAOYSA-N 1 3 329.444 0.872 20 30 ECEDHO N#Cc1ccccc1OC[C@@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000600739931 439696978 /nfs/dbraw/zinc/69/69/78/439696978.db2.gz VPDGLVLCTLTGET-KRWDZBQOSA-N 1 3 333.432 0.734 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000600736055 439697562 /nfs/dbraw/zinc/69/75/62/439697562.db2.gz PRSPEWQYSMFARP-QGZVFWFLSA-N 1 3 346.475 0.914 20 30 ECEDHO C=CC[C@@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662726203 439860986 /nfs/dbraw/zinc/86/09/86/439860986.db2.gz FRQTVDNDPCWLSY-SFHVURJKSA-N 1 3 336.480 0.744 20 30 ECEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000747404141 579851893 /nfs/dbraw/zinc/85/18/93/579851893.db2.gz HCNMRDQJROTNOW-HNNXBMFYSA-N 1 3 334.464 0.000 20 30 ECEDHO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CNC[C@H]3C#N)CC2)c1 ZINC000844195463 589102465 /nfs/dbraw/zinc/10/24/65/589102465.db2.gz UFPAISKCHSYEOV-SJLPKXTDSA-N 1 3 341.459 0.735 20 30 ECEDHO CC(C)[N@@H+]1CC[C@H](C(=O)NCC#CCN(C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523717 609684103 /nfs/dbraw/zinc/68/41/03/609684103.db2.gz JRMRICWJSJMGPB-ROUUACIJSA-N 1 3 345.491 0.915 20 30 ECEDHO CC(C)[N@H+]1CC[C@H](C(=O)NCC#CCN(C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523717 609684104 /nfs/dbraw/zinc/68/41/04/609684104.db2.gz JRMRICWJSJMGPB-ROUUACIJSA-N 1 3 345.491 0.915 20 30 ECEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500035 736924771 /nfs/dbraw/zinc/92/47/71/736924771.db2.gz OSPPWTZFWDNPAX-XNGIKWSVSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500035 736924774 /nfs/dbraw/zinc/92/47/74/736924774.db2.gz OSPPWTZFWDNPAX-XNGIKWSVSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318027 738289524 /nfs/dbraw/zinc/28/95/24/738289524.db2.gz PYAYNFGOYHFUJC-KURKYZTESA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318027 738289528 /nfs/dbraw/zinc/28/95/28/738289528.db2.gz PYAYNFGOYHFUJC-KURKYZTESA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425396 739482476 /nfs/dbraw/zinc/48/24/76/739482476.db2.gz PJKNJTRXUYDLHQ-HZPDHXFCSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326807 741805932 /nfs/dbraw/zinc/80/59/32/741805932.db2.gz GZMKCSOIWHDXDB-RHSMWYFYSA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326807 741805935 /nfs/dbraw/zinc/80/59/35/741805935.db2.gz GZMKCSOIWHDXDB-RHSMWYFYSA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026886468 742042089 /nfs/dbraw/zinc/04/20/89/742042089.db2.gz YINYDAAAFFAKOB-CVEARBPZSA-N 1 3 348.491 0.696 20 30 ECEDHO C[NH+]=C(NCC1(N(C)C)CCOCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261963504 743191382 /nfs/dbraw/zinc/19/13/82/743191382.db2.gz KWIVFQRBFYALBO-GDBMZVCRSA-N 1 3 337.512 0.745 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591309 751858278 /nfs/dbraw/zinc/85/82/78/751858278.db2.gz KKSQELUUIJSIER-JYJNAYRXSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000989828497 754497770 /nfs/dbraw/zinc/49/77/70/754497770.db2.gz DSSVWXKXYRSSEB-RDJZCZTQSA-N 1 3 343.475 0.844 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127779570 758625713 /nfs/dbraw/zinc/62/57/13/758625713.db2.gz OFMSMSLPAHCPMV-WFASDCNBSA-N 1 3 334.445 0.689 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779570 758625719 /nfs/dbraw/zinc/62/57/19/758625719.db2.gz OFMSMSLPAHCPMV-WFASDCNBSA-N 1 3 334.445 0.689 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022715724 759029493 /nfs/dbraw/zinc/02/94/93/759029493.db2.gz LAEWNBUMBFORSR-CAOSSQGBSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CC[C@@H](C)F)C[C@@H]2O)CC1 ZINC001047638575 759376183 /nfs/dbraw/zinc/37/61/83/759376183.db2.gz ZCRSZXWTILEGDY-PVAVHDDUSA-N 1 3 339.455 0.583 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2O)CC1 ZINC001047638575 759376196 /nfs/dbraw/zinc/37/61/96/759376196.db2.gz ZCRSZXWTILEGDY-PVAVHDDUSA-N 1 3 339.455 0.583 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001046034709 766716080 /nfs/dbraw/zinc/71/60/80/766716080.db2.gz XZRGOYAUBUZYSE-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034709 766716085 /nfs/dbraw/zinc/71/60/85/766716085.db2.gz XZRGOYAUBUZYSE-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019088151 770756039 /nfs/dbraw/zinc/75/60/39/770756039.db2.gz LEYJBBCRTMLVDO-HOTGVXAUSA-N 1 3 346.475 0.592 20 30 ECEDHO CC[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CCCC1 ZINC000264136180 276422002 /nfs/dbraw/zinc/42/20/02/276422002.db2.gz ZSAOVXBCLYIGNF-HNNXBMFYSA-N 1 3 331.468 0.788 20 30 ECEDHO Cn1cncc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329629428 437393267 /nfs/dbraw/zinc/39/32/67/437393267.db2.gz VAIFASWSZCAUGZ-UHFFFAOYSA-N 1 3 334.468 0.982 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000373953634 438177579 /nfs/dbraw/zinc/17/75/79/438177579.db2.gz IUOSNFLXTQSKJW-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000373953634 438177582 /nfs/dbraw/zinc/17/75/82/438177582.db2.gz IUOSNFLXTQSKJW-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C=CCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420211033 438394681 /nfs/dbraw/zinc/39/46/81/438394681.db2.gz VIAKRQWQZMQTES-UHFFFAOYSA-N 1 3 344.459 0.741 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000419734554 438369303 /nfs/dbraw/zinc/36/93/03/438369303.db2.gz VDBNVSMHMKHEFR-MRXNPFEDSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000577474801 438843269 /nfs/dbraw/zinc/84/32/69/438843269.db2.gz LGMFFIKJQDBLDN-IAGOWNOFSA-N 1 3 337.512 0.969 20 30 ECEDHO N#CCCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595959471 438899415 /nfs/dbraw/zinc/89/94/15/438899415.db2.gz FCPACPSFQOMPRP-IRXDYDNUSA-N 1 3 330.432 0.891 20 30 ECEDHO N#CCCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959471 438899420 /nfs/dbraw/zinc/89/94/20/438899420.db2.gz FCPACPSFQOMPRP-IRXDYDNUSA-N 1 3 330.432 0.891 20 30 ECEDHO N#CCCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595959472 438900973 /nfs/dbraw/zinc/90/09/73/438900973.db2.gz FCPACPSFQOMPRP-SJORKVTESA-N 1 3 330.432 0.891 20 30 ECEDHO N#CCCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959472 438900976 /nfs/dbraw/zinc/90/09/76/438900976.db2.gz FCPACPSFQOMPRP-SJORKVTESA-N 1 3 330.432 0.891 20 30 ECEDHO CN1CCN(CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000557889426 322211614 /nfs/dbraw/zinc/21/16/14/322211614.db2.gz PRIHAZLVGLZLOQ-SFHVURJKSA-N 1 3 346.475 0.915 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884643143 590881496 /nfs/dbraw/zinc/88/14/96/590881496.db2.gz YKAIVAXXFHVRDN-HNNXBMFYSA-N 1 3 336.480 0.647 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000884642100 590881552 /nfs/dbraw/zinc/88/15/52/590881552.db2.gz ANMVOANYDHGMMD-LJQANCHMSA-N 1 3 348.491 0.745 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481156 611433740 /nfs/dbraw/zinc/43/37/40/611433740.db2.gz SRGJXYCMTPRXQX-HUUCEWRRSA-N 1 3 346.475 0.284 20 30 ECEDHO C#CCN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841131 609951150 /nfs/dbraw/zinc/95/11/50/609951150.db2.gz BFIDFCUEVBNXER-IRXDYDNUSA-N 1 3 334.464 0.589 20 30 ECEDHO C#CCN(C(=O)NC[C@H]1CCCN1CCOC)C1CC[NH+](C)CC1 ZINC000917829987 609986335 /nfs/dbraw/zinc/98/63/35/609986335.db2.gz WGBRDNQATAOPRP-QGZVFWFLSA-N 1 3 336.480 0.836 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211278160 734245438 /nfs/dbraw/zinc/24/54/38/734245438.db2.gz PYGPVMXUNLQYCO-JKSUJKDBSA-N 1 3 336.480 0.694 20 30 ECEDHO COCC#CC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572338 736268606 /nfs/dbraw/zinc/26/86/06/736268606.db2.gz CMYDZMCNEXWGJU-UHFFFAOYSA-N 1 3 339.480 0.262 20 30 ECEDHO COCC#CC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572338 736268607 /nfs/dbraw/zinc/26/86/07/736268607.db2.gz CMYDZMCNEXWGJU-UHFFFAOYSA-N 1 3 339.480 0.262 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001023128347 736523634 /nfs/dbraw/zinc/52/36/34/736523634.db2.gz ACQYQUWQFGACJB-RYQLBKOJSA-N 1 3 333.476 0.995 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007800 790309748 /nfs/dbraw/zinc/30/97/48/790309748.db2.gz AVKOZMLTQYVNGW-NXOAAHMSSA-N 1 3 346.479 0.926 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007800 790309752 /nfs/dbraw/zinc/30/97/52/790309752.db2.gz AVKOZMLTQYVNGW-NXOAAHMSSA-N 1 3 346.479 0.926 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC000982384547 752083634 /nfs/dbraw/zinc/08/36/34/752083634.db2.gz CSIOLMCETOEGPF-VYOWGEPCSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC000982384547 752083641 /nfs/dbraw/zinc/08/36/41/752083641.db2.gz CSIOLMCETOEGPF-VYOWGEPCSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000979091274 747160699 /nfs/dbraw/zinc/16/06/99/747160699.db2.gz RFRCBFQVDNPFPC-DDBAPUKQSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000979091274 747160704 /nfs/dbraw/zinc/16/07/04/747160704.db2.gz RFRCBFQVDNPFPC-DDBAPUKQSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001088430111 749194174 /nfs/dbraw/zinc/19/41/74/749194174.db2.gz HZCLLAQSOSUEFK-INIZCTEOSA-N 1 3 334.464 0.178 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904133 749534235 /nfs/dbraw/zinc/53/42/35/749534235.db2.gz NYQCTWQAPBNEFB-DLBZAZTESA-N 1 3 348.491 0.649 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904133 749534239 /nfs/dbraw/zinc/53/42/39/749534239.db2.gz NYQCTWQAPBNEFB-DLBZAZTESA-N 1 3 348.491 0.649 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333245 752401137 /nfs/dbraw/zinc/40/11/37/752401137.db2.gz HMQYMYVVGJOXFX-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333245 752401143 /nfs/dbraw/zinc/40/11/43/752401143.db2.gz HMQYMYVVGJOXFX-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345599 754765941 /nfs/dbraw/zinc/76/59/41/754765941.db2.gz RMNGHBVQSCMOBX-OAHLLOKOSA-N 1 3 336.480 0.341 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001048891663 757314631 /nfs/dbraw/zinc/31/46/31/757314631.db2.gz TWDJYTDELDCNOM-TWMKSMIVSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001048891663 757314640 /nfs/dbraw/zinc/31/46/40/757314640.db2.gz TWDJYTDELDCNOM-TWMKSMIVSA-N 1 3 348.491 0.504 20 30 ECEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943923 757480637 /nfs/dbraw/zinc/48/06/37/757480637.db2.gz JRFSQFPLFJDIBW-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943923 757480641 /nfs/dbraw/zinc/48/06/41/757480641.db2.gz JRFSQFPLFJDIBW-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1=O ZINC000996662092 758376457 /nfs/dbraw/zinc/37/64/57/758376457.db2.gz CMAQEEXPJSBCAI-MRXNPFEDSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016740838 766827180 /nfs/dbraw/zinc/82/71/80/766827180.db2.gz PKBQQTXOVWFOBB-ASPXRTSYSA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061986 766832204 /nfs/dbraw/zinc/83/22/04/766832204.db2.gz QBCHVRIERQJRJN-QZTJIDSGSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061986 766832212 /nfs/dbraw/zinc/83/22/12/766832212.db2.gz QBCHVRIERQJRJN-QZTJIDSGSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCN1CCC2(C[C@H]2NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001016870227 767069034 /nfs/dbraw/zinc/06/90/34/767069034.db2.gz PCOCFKJSGJTBQV-MRXNPFEDSA-N 1 3 329.448 0.662 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106635041 768535520 /nfs/dbraw/zinc/53/55/20/768535520.db2.gz SRBMIILMFCVDFG-BFYDXBDKSA-N 1 3 338.496 0.559 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076866 790523893 /nfs/dbraw/zinc/52/38/93/790523893.db2.gz YROABXFJHUHDNT-ZACQAIPSSA-N 1 3 346.479 0.928 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076866 790523910 /nfs/dbraw/zinc/52/39/10/790523910.db2.gz YROABXFJHUHDNT-ZACQAIPSSA-N 1 3 346.479 0.928 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209319 783661291 /nfs/dbraw/zinc/66/12/91/783661291.db2.gz YOTSGPHNOOSATA-OWCLPIDISA-N 1 3 332.452 0.536 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491626 784184045 /nfs/dbraw/zinc/18/40/45/784184045.db2.gz WAQGVGHAUQAZEC-JQHSSLGASA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491626 784184047 /nfs/dbraw/zinc/18/40/47/784184047.db2.gz WAQGVGHAUQAZEC-JQHSSLGASA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689915 784557060 /nfs/dbraw/zinc/55/70/60/784557060.db2.gz WXOIUDVINBTPMX-BZUAXINKSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689915 784557072 /nfs/dbraw/zinc/55/70/72/784557072.db2.gz WXOIUDVINBTPMX-BZUAXINKSA-N 1 3 329.448 0.279 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075044558 788790287 /nfs/dbraw/zinc/79/02/87/788790287.db2.gz XJVWOBCDCXLGPF-JYJNAYRXSA-N 1 3 346.475 0.448 20 30 ECEDHO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267001382 836591501 /nfs/dbraw/zinc/59/15/01/836591501.db2.gz OWDNEAOEOKSSED-HZPDHXFCSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267001380 836592188 /nfs/dbraw/zinc/59/21/88/836592188.db2.gz OWDNEAOEOKSSED-CVEARBPZSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267012928 836615343 /nfs/dbraw/zinc/61/53/43/836615343.db2.gz LNFQXJQDHULWQR-HNNXBMFYSA-N 1 3 348.491 0.579 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001267012928 836615347 /nfs/dbraw/zinc/61/53/47/836615347.db2.gz LNFQXJQDHULWQR-HNNXBMFYSA-N 1 3 348.491 0.579 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000340215831 437605123 /nfs/dbraw/zinc/60/51/23/437605123.db2.gz VMWPGQAAWHYZJY-HNNXBMFYSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCN1CCC(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)CC1 ZINC000270308851 436673511 /nfs/dbraw/zinc/67/35/11/436673511.db2.gz ZPUAJKAFALEEAN-UHFFFAOYSA-N 1 3 330.432 0.694 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262129918 436909889 /nfs/dbraw/zinc/90/98/89/436909889.db2.gz KPCKSLHWNXCCJY-ZIAGYGMSSA-N 1 3 326.441 0.297 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CCOCC1 ZINC000264123792 437016252 /nfs/dbraw/zinc/01/62/52/437016252.db2.gz VSVJMKJZAHYVQV-MRXNPFEDSA-N 1 3 346.479 0.807 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCCOC ZINC000264125197 437016930 /nfs/dbraw/zinc/01/69/30/437016930.db2.gz WFNABROOKYEPLP-HNNXBMFYSA-N 1 3 335.452 0.995 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000264100125 437017108 /nfs/dbraw/zinc/01/71/08/437017108.db2.gz MNRPQTFAVFTEKM-ZDUSSCGKSA-N 1 3 339.465 0.223 20 30 ECEDHO COC[C@@H](C)NC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000304807903 437160505 /nfs/dbraw/zinc/16/05/05/437160505.db2.gz UCZRCVCZDFSLMB-OAHLLOKOSA-N 1 3 325.501 0.876 20 30 ECEDHO Cn1ccnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1=O ZINC000328598272 437236704 /nfs/dbraw/zinc/23/67/04/437236704.db2.gz BAMMOFCCFAGPAM-UHFFFAOYSA-N 1 3 348.451 0.665 20 30 ECEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CCOCC1 ZINC000267477560 437327854 /nfs/dbraw/zinc/32/78/54/437327854.db2.gz ZQQJMYQIKNYUSG-UHFFFAOYSA-N 1 3 332.448 0.790 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000343769160 437650610 /nfs/dbraw/zinc/65/06/10/437650610.db2.gz SGSAIYXAZMBKQL-MRXNPFEDSA-N 1 3 348.491 0.886 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000343769160 437650616 /nfs/dbraw/zinc/65/06/16/437650616.db2.gz SGSAIYXAZMBKQL-MRXNPFEDSA-N 1 3 348.491 0.886 20 30 ECEDHO N#Cc1ccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000575060015 438735813 /nfs/dbraw/zinc/73/58/13/438735813.db2.gz TUQMCWIFWJVZJF-QGZVFWFLSA-N 1 3 333.432 0.734 20 30 ECEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000578006806 438888095 /nfs/dbraw/zinc/88/80/95/438888095.db2.gz UEWGHRBRFJDOFJ-KURKYZTESA-N 1 3 338.496 0.550 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)CC1 ZINC000490627625 439281165 /nfs/dbraw/zinc/28/11/65/439281165.db2.gz DGMWWDIIEHEFLT-GOSISDBHSA-N 1 3 332.492 0.570 20 30 ECEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443227 439563041 /nfs/dbraw/zinc/56/30/41/439563041.db2.gz BCOZDSHGHFPEQZ-NEPJUHHUSA-N 1 3 335.374 0.350 20 30 ECEDHO CN1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)(N2CCOCC2)CC1 ZINC000600735874 439697390 /nfs/dbraw/zinc/69/73/90/439697390.db2.gz MIQHRTYFXOIICS-MRXNPFEDSA-N 1 3 336.480 0.427 20 30 ECEDHO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CNC[C@H]3C#N)cc2)CC1 ZINC000834490546 588903089 /nfs/dbraw/zinc/90/30/89/588903089.db2.gz VRNRKSDQVICABX-WBVHZDCISA-N 1 3 327.432 0.670 20 30 ECEDHO C[NH+]=C(NCCN1CCOCC1)NCC1(N(C)C)CCCCC1 ZINC000849053390 589318805 /nfs/dbraw/zinc/31/88/05/589318805.db2.gz DJJMHJTUKICHGY-UHFFFAOYSA-N 1 3 325.501 0.748 20 30 ECEDHO CN1CCN(c2ccncc2NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873524 589520922 /nfs/dbraw/zinc/52/09/22/589520922.db2.gz XREXCYVUPSANRI-UHFFFAOYSA-N 1 3 327.432 0.775 20 30 ECEDHO C=C(CN(C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(=C)C[NH+](C)C ZINC000855081962 589619902 /nfs/dbraw/zinc/61/99/02/589619902.db2.gz RRRYMLHRZUPNRZ-HZPDHXFCSA-N 1 3 336.480 0.766 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182323 590279228 /nfs/dbraw/zinc/27/92/28/590279228.db2.gz KVIKEKDUQJCFLU-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182323 590279230 /nfs/dbraw/zinc/27/92/30/590279230.db2.gz KVIKEKDUQJCFLU-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000876786714 590415920 /nfs/dbraw/zinc/41/59/20/590415920.db2.gz BMVJGYSJWIMFJZ-HZSPNIEDSA-N 1 3 342.871 0.563 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890150056 591136668 /nfs/dbraw/zinc/13/66/68/591136668.db2.gz UJPMCOTUXVRUML-UHFFFAOYSA-N 1 3 346.435 0.038 20 30 ECEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433393 736191781 /nfs/dbraw/zinc/19/17/81/736191781.db2.gz AGYBCUKLHQCCSF-LDBBTLTOSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425397 739482282 /nfs/dbraw/zinc/48/22/82/739482282.db2.gz PJKNJTRXUYDLHQ-JKSUJKDBSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043575 740336437 /nfs/dbraw/zinc/33/64/37/740336437.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043575 740336440 /nfs/dbraw/zinc/33/64/40/740336440.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043572 740336662 /nfs/dbraw/zinc/33/66/62/740336662.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 1 3 346.475 0.162 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043572 740336667 /nfs/dbraw/zinc/33/66/67/740336667.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 1 3 346.475 0.162 20 30 ECEDHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104937510 740971243 /nfs/dbraw/zinc/97/12/43/740971243.db2.gz BIYCVQAGUKGKDP-HUUCEWRRSA-N 1 3 337.468 0.042 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709129 751720177 /nfs/dbraw/zinc/72/01/77/751720177.db2.gz DQQGIMIJVSZEKI-ZWKOTPCHSA-N 1 3 329.444 0.782 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1=O ZINC000997000382 743111817 /nfs/dbraw/zinc/11/18/17/743111817.db2.gz PSWHXWAYJRLASM-RDJZCZTQSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997306338 743468778 /nfs/dbraw/zinc/46/87/78/743468778.db2.gz DRWHAGXQDSTMLA-MRXNPFEDSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020588747 751850642 /nfs/dbraw/zinc/85/06/42/751850642.db2.gz LAEWNBUMBFORSR-KLHDSHLOSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301205 744846312 /nfs/dbraw/zinc/84/63/12/744846312.db2.gz GPRKYOLFNMXJPP-MRXNPFEDSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC001000990745 745957013 /nfs/dbraw/zinc/95/70/13/745957013.db2.gz DKEPQQIBPWLCJM-JKSUJKDBSA-N 1 3 334.464 0.176 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252810 749258757 /nfs/dbraw/zinc/25/87/57/749258757.db2.gz JGRMKBJSDMLRKB-OKZBNKHCSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252810 749258764 /nfs/dbraw/zinc/25/87/64/749258764.db2.gz JGRMKBJSDMLRKB-OKZBNKHCSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254146 749260631 /nfs/dbraw/zinc/26/06/31/749260631.db2.gz MRUSXDCFXRDYGD-IXDOHACOSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254146 749260633 /nfs/dbraw/zinc/26/06/33/749260633.db2.gz MRUSXDCFXRDYGD-IXDOHACOSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909345 749560594 /nfs/dbraw/zinc/56/05/94/749560594.db2.gz LKRRVWXDTROIET-NVXWUHKLSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909345 749560598 /nfs/dbraw/zinc/56/05/98/749560598.db2.gz LKRRVWXDTROIET-NVXWUHKLSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001028333246 752401332 /nfs/dbraw/zinc/40/13/32/752401332.db2.gz HMQYMYVVGJOXFX-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001028333246 752401337 /nfs/dbraw/zinc/40/13/37/752401337.db2.gz HMQYMYVVGJOXFX-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C[C@@H]2C)CC1 ZINC000989828172 754496724 /nfs/dbraw/zinc/49/67/24/754496724.db2.gz ARQHNDBGODVQCS-DOTOQJQBSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049611041 758990863 /nfs/dbraw/zinc/99/08/63/758990863.db2.gz NWSCUSZNZKDFAQ-MOXMWUHRSA-N 1 3 343.471 0.938 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049611041 758990866 /nfs/dbraw/zinc/99/08/66/758990866.db2.gz NWSCUSZNZKDFAQ-MOXMWUHRSA-N 1 3 343.471 0.938 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050233911 760010419 /nfs/dbraw/zinc/01/04/19/760010419.db2.gz DVZMPCOPVKNJJX-IRXDYDNUSA-N 1 3 348.491 0.697 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061987 766831165 /nfs/dbraw/zinc/83/11/65/766831165.db2.gz QBCHVRIERQJRJN-ZWKOTPCHSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061987 766831175 /nfs/dbraw/zinc/83/11/75/766831175.db2.gz QBCHVRIERQJRJN-ZWKOTPCHSA-N 1 3 334.508 0.814 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077549 790526479 /nfs/dbraw/zinc/52/64/79/790526479.db2.gz HVQUNBNOSZWCRD-CVEARBPZSA-N 1 3 344.463 0.682 20 30 ECEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489281 781618889 /nfs/dbraw/zinc/61/88/89/781618889.db2.gz SHEXQPYETFQGPN-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489281 781618890 /nfs/dbraw/zinc/61/88/90/781618890.db2.gz SHEXQPYETFQGPN-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645153 784489802 /nfs/dbraw/zinc/48/98/02/784489802.db2.gz LWIHPGGHSRKJPE-ZACQAIPSSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645153 784489808 /nfs/dbraw/zinc/48/98/08/784489808.db2.gz LWIHPGGHSRKJPE-ZACQAIPSSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC001069840736 790075080 /nfs/dbraw/zinc/07/50/80/790075080.db2.gz MQUIIRASPHIXEW-NVXWUHKLSA-N 1 3 341.459 0.451 20 30 ECEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840736 790075088 /nfs/dbraw/zinc/07/50/88/790075088.db2.gz MQUIIRASPHIXEW-NVXWUHKLSA-N 1 3 341.459 0.451 20 30 ECEDHO C=CCN1CC[C@H](N[C@H](CC)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267811100 838592770 /nfs/dbraw/zinc/59/27/70/838592770.db2.gz PNWXRRWIOFEEHW-CVEARBPZSA-N 1 3 348.491 0.886 20 30 ECEDHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267958200 838864119 /nfs/dbraw/zinc/86/41/19/838864119.db2.gz VOYIRUJVNZQLOL-LSDHHAIUSA-N 1 3 335.452 0.081 20 30 ECEDHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267958200 838864135 /nfs/dbraw/zinc/86/41/35/838864135.db2.gz VOYIRUJVNZQLOL-LSDHHAIUSA-N 1 3 335.452 0.081 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000074255592 436118054 /nfs/dbraw/zinc/11/80/54/436118054.db2.gz GGIYIWAAXPOFFN-UHFFFAOYSA-N 1 3 334.508 0.721 20 30 ECEDHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])NC3CC3)c2)C1 ZINC000267411955 437328064 /nfs/dbraw/zinc/32/80/64/437328064.db2.gz IMLHBUKQOBQKAL-HNNXBMFYSA-N 1 3 329.448 0.951 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000343739810 437643354 /nfs/dbraw/zinc/64/33/54/437643354.db2.gz NEIYXXIJAAOYTK-GOEBONIOSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000343739810 437643361 /nfs/dbraw/zinc/64/33/61/437643361.db2.gz NEIYXXIJAAOYTK-GOEBONIOSA-N 1 3 336.480 0.552 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000343906656 437691573 /nfs/dbraw/zinc/69/15/73/437691573.db2.gz HPOGRQDRPRAEBI-WMLDXEAASA-N 1 3 348.491 0.742 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000343905527 437691614 /nfs/dbraw/zinc/69/16/14/437691614.db2.gz FWQUMTHVYTYHCM-UHFFFAOYSA-N 1 3 338.496 0.942 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419734092 438369889 /nfs/dbraw/zinc/36/98/89/438369889.db2.gz VBJCTAUPUZRUQD-HOCLYGCPSA-N 1 3 336.480 0.777 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000577474793 438843335 /nfs/dbraw/zinc/84/33/35/438843335.db2.gz LGMFFIKJQDBLDN-DLBZAZTESA-N 1 3 337.512 0.969 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000491661992 439422034 /nfs/dbraw/zinc/42/20/34/439422034.db2.gz GKIRWLKSTJICRQ-IRXDYDNUSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491661992 439422040 /nfs/dbraw/zinc/42/20/40/439422040.db2.gz GKIRWLKSTJICRQ-IRXDYDNUSA-N 1 3 348.491 0.391 20 30 ECEDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530233082 439495090 /nfs/dbraw/zinc/49/50/90/439495090.db2.gz OJKHQVIWLULACP-GOSISDBHSA-N 1 3 346.475 0.914 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627386447 440170022 /nfs/dbraw/zinc/17/00/22/440170022.db2.gz OSPRIXIIRHRDQN-HNNXBMFYSA-N 1 3 334.464 0.544 20 30 ECEDHO C=CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664018626 440217370 /nfs/dbraw/zinc/21/73/70/440217370.db2.gz ALPUARZXAAPBTG-QGZVFWFLSA-N 1 3 336.480 0.877 20 30 ECEDHO C=CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664018626 440217386 /nfs/dbraw/zinc/21/73/86/440217386.db2.gz ALPUARZXAAPBTG-QGZVFWFLSA-N 1 3 336.480 0.877 20 30 ECEDHO C=C1[C@H](C(=O)NC2CCN(C)CC2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000900001570 586517556 /nfs/dbraw/zinc/51/75/56/586517556.db2.gz GNLBAONDNTZLKB-HOTGVXAUSA-N 1 3 334.464 0.209 20 30 ECEDHO C#Cc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000817846034 587389039 /nfs/dbraw/zinc/38/90/39/587389039.db2.gz MURQXQFAFVPSJR-UHFFFAOYSA-N 1 3 344.459 0.236 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884642204 590882042 /nfs/dbraw/zinc/88/20/42/590882042.db2.gz CVJQPYBBKHGSMG-HNNXBMFYSA-N 1 3 336.480 0.647 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597733 611359192 /nfs/dbraw/zinc/35/91/92/611359192.db2.gz IAQTZPIANZBULW-XMTFNYHQSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597733 611359193 /nfs/dbraw/zinc/35/91/93/611359193.db2.gz IAQTZPIANZBULW-XMTFNYHQSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1CCN(CCC)C1)C1CC[NH+](C)CC1 ZINC000931019255 611498748 /nfs/dbraw/zinc/49/87/48/611498748.db2.gz UYDXALGEUPJXGJ-OAHLLOKOSA-N 1 3 334.464 0.143 20 30 ECEDHO C(#CC[N@@H+]1CC[C@@H](C2OCCO2)C1)CN1CC[C@@H](C2OCCO2)C1 ZINC000931997103 611591887 /nfs/dbraw/zinc/59/18/87/611591887.db2.gz AZVZOHPHWGLSKZ-HZPDHXFCSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@H+]1CC[C@@H](C2OCCO2)C1)CN1CC[C@@H](C2OCCO2)C1 ZINC000931997103 611591889 /nfs/dbraw/zinc/59/18/89/611591889.db2.gz AZVZOHPHWGLSKZ-HZPDHXFCSA-N 1 3 336.432 0.379 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792528 733943393 /nfs/dbraw/zinc/94/33/93/733943393.db2.gz MVUSSJXLHFPBKO-IAGOWNOFSA-N 1 3 348.491 0.840 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001023127855 736523000 /nfs/dbraw/zinc/52/30/00/736523000.db2.gz GTDOSSPZFNRLCN-NXHRZFHOSA-N 1 3 333.476 0.995 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640520 737128891 /nfs/dbraw/zinc/12/88/91/737128891.db2.gz HSBQARSQVLJLJL-MRXNPFEDSA-N 1 3 331.464 0.910 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178736 737800749 /nfs/dbraw/zinc/80/07/49/737800749.db2.gz DGWXNZGJDNOAGL-ZBFHGGJFSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000973295457 739059911 /nfs/dbraw/zinc/05/99/11/739059911.db2.gz LXULVWVTMGBVPO-BRWVUGGUSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000973295457 739059914 /nfs/dbraw/zinc/05/99/14/739059914.db2.gz LXULVWVTMGBVPO-BRWVUGGUSA-N 1 3 346.475 0.047 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1=O ZINC000997006392 743119415 /nfs/dbraw/zinc/11/94/15/743119415.db2.gz LXCOBIXSGDXQGI-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985620 745138313 /nfs/dbraw/zinc/13/83/13/745138313.db2.gz CGKOAYPAMXZNHK-SJORKVTESA-N 1 3 344.463 0.669 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985618 745138452 /nfs/dbraw/zinc/13/84/52/745138452.db2.gz CGKOAYPAMXZNHK-IRXDYDNUSA-N 1 3 344.463 0.669 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC000979084092 747150082 /nfs/dbraw/zinc/15/00/82/747150082.db2.gz DFYXOBVVLXRLPE-OWYHZJEWSA-N 1 3 345.487 0.662 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC000979084092 747150083 /nfs/dbraw/zinc/15/00/83/747150083.db2.gz DFYXOBVVLXRLPE-OWYHZJEWSA-N 1 3 345.487 0.662 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC(=O)NCC)CC2)CC1 ZINC001168307981 754271574 /nfs/dbraw/zinc/27/15/74/754271574.db2.gz PBJXOLHUILZUPK-UHFFFAOYSA-N 1 3 348.491 0.344 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC001168308866 754287496 /nfs/dbraw/zinc/28/74/96/754287496.db2.gz YMJXUJZGADCCQJ-MRXNPFEDSA-N 1 3 346.475 0.096 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC001076604568 756723678 /nfs/dbraw/zinc/72/36/78/756723678.db2.gz MLSHEKAGNSEKHZ-BPQIPLTHSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC001076604568 756723680 /nfs/dbraw/zinc/72/36/80/756723680.db2.gz MLSHEKAGNSEKHZ-BPQIPLTHSA-N 1 3 333.476 0.899 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)C1=O ZINC000996664071 758385338 /nfs/dbraw/zinc/38/53/38/758385338.db2.gz DPFIEZRORAULNC-QGZVFWFLSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669464 758430393 /nfs/dbraw/zinc/43/03/93/758430393.db2.gz GAHOAZCWDJRVKB-JKSUJKDBSA-N 1 3 348.491 0.422 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716853 759031308 /nfs/dbraw/zinc/03/13/08/759031308.db2.gz KKSQELUUIJSIER-OWCLPIDISA-N 1 3 348.491 0.742 20 30 ECEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598932 760550953 /nfs/dbraw/zinc/55/09/53/760550953.db2.gz XSLUZPUWJNOXJN-WUJZJPHMSA-N 1 3 331.460 0.960 20 30 ECEDHO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463327 764419871 /nfs/dbraw/zinc/41/98/71/764419871.db2.gz CSXDCRLYVFIWAG-MYTOGIIISA-N 1 3 349.475 0.319 20 30 ECEDHO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463327 764419874 /nfs/dbraw/zinc/41/98/74/764419874.db2.gz CSXDCRLYVFIWAG-MYTOGIIISA-N 1 3 349.475 0.319 20 30 ECEDHO C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047561575 764696041 /nfs/dbraw/zinc/69/60/41/764696041.db2.gz MQTWUXZYKQPKMF-HOTGVXAUSA-N 1 3 335.452 0.138 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001046028612 766691672 /nfs/dbraw/zinc/69/16/72/766691672.db2.gz CYHFWBFMCVIWCV-QZTJIDSGSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028612 766691676 /nfs/dbraw/zinc/69/16/76/766691676.db2.gz CYHFWBFMCVIWCV-QZTJIDSGSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001046035787 766722737 /nfs/dbraw/zinc/72/27/37/766722737.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035787 766722741 /nfs/dbraw/zinc/72/27/41/766722741.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCO)CC3)CC1 ZINC000992512449 766750158 /nfs/dbraw/zinc/75/01/58/766750158.db2.gz SIKXRKHKQRCRAD-IEBWSBKVSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512449 766750161 /nfs/dbraw/zinc/75/01/61/766750161.db2.gz SIKXRKHKQRCRAD-IEBWSBKVSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633351 768530196 /nfs/dbraw/zinc/53/01/96/768530196.db2.gz GRWRVIVPLHIIHM-BFYDXBDKSA-N 1 3 336.480 0.006 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC001019560341 771487120 /nfs/dbraw/zinc/48/71/20/771487120.db2.gz BHCYFKLHDXAFBH-DLBZAZTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCCO2)CC1 ZINC001073899424 787474227 /nfs/dbraw/zinc/47/42/27/787474227.db2.gz STKXWRYHTICKHF-GOSISDBHSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCCO2)CC1 ZINC001073899424 787474231 /nfs/dbraw/zinc/47/42/31/787474231.db2.gz STKXWRYHTICKHF-GOSISDBHSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267012128 836611564 /nfs/dbraw/zinc/61/15/64/836611564.db2.gz XLVGXUOELDHFPU-INIZCTEOSA-N 1 3 348.491 0.862 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267191438 836953036 /nfs/dbraw/zinc/95/30/36/836953036.db2.gz VHOSMNYIBOOHLG-GOEBONIOSA-N 1 3 338.496 0.846 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095066 276377938 /nfs/dbraw/zinc/37/79/38/276377938.db2.gz MJOBGQBWLZOUOF-HNNXBMFYSA-N 1 3 347.463 0.700 20 30 ECEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000170906953 436960791 /nfs/dbraw/zinc/96/07/91/436960791.db2.gz DNPJPEQMCKZPDK-OAHLLOKOSA-N 1 3 333.480 0.983 20 30 ECEDHO COC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000264077660 437014787 /nfs/dbraw/zinc/01/47/87/437014787.db2.gz HQRDNPRISYIGEK-OAHLLOKOSA-N 1 3 333.480 0.873 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343762958 437650153 /nfs/dbraw/zinc/65/01/53/437650153.db2.gz JDTUXFSLIHWJFU-GOEBONIOSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343762958 437650158 /nfs/dbraw/zinc/65/01/58/437650158.db2.gz JDTUXFSLIHWJFU-GOEBONIOSA-N 1 3 336.480 0.694 20 30 ECEDHO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370356 438078576 /nfs/dbraw/zinc/07/85/76/438078576.db2.gz QPVXEBFTSKRWAP-PKOBYXMFSA-N 1 3 347.507 0.895 20 30 ECEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000358327666 438201002 /nfs/dbraw/zinc/20/10/02/438201002.db2.gz JXWGTHJXMRUOFX-INIZCTEOSA-N 1 3 335.452 0.479 20 30 ECEDHO CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000518171997 438989098 /nfs/dbraw/zinc/98/90/98/438989098.db2.gz LPGPGOIECNMUQW-MOPGFXCFSA-N 1 3 346.475 0.549 20 30 ECEDHO CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000518171997 438989101 /nfs/dbraw/zinc/98/91/01/438989101.db2.gz LPGPGOIECNMUQW-MOPGFXCFSA-N 1 3 346.475 0.549 20 30 ECEDHO C#CCN1CCC(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000491690587 439428000 /nfs/dbraw/zinc/42/80/00/439428000.db2.gz MMFOYMOUFFSGKK-UHFFFAOYSA-N 1 3 344.459 0.983 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)CCN(C)CC2)CC1 ZINC000892851334 586296352 /nfs/dbraw/zinc/29/63/52/586296352.db2.gz GYQRJNGJUWJUDI-UHFFFAOYSA-N 1 3 337.512 0.916 20 30 ECEDHO C[NH+](C)CCCNC(=S)NN=C1CCN(CC(C)(C)O)CC1 ZINC000814221833 587271674 /nfs/dbraw/zinc/27/16/74/587271674.db2.gz ONMDXDOPHDTMFT-UHFFFAOYSA-N 1 3 329.514 0.625 20 30 ECEDHO C[NH+]=C(NCc1ccco1)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849109863 589320343 /nfs/dbraw/zinc/32/03/43/589320343.db2.gz JZCNYOBTFPMJCE-UHFFFAOYSA-N 1 3 349.479 0.741 20 30 ECEDHO C#CCN(C)CCCNC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000875622220 590316484 /nfs/dbraw/zinc/31/64/84/590316484.db2.gz GCBAZUNRGIDVMM-UHFFFAOYSA-N 1 3 338.496 0.941 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679733 590991768 /nfs/dbraw/zinc/99/17/68/590991768.db2.gz HHIVVBYGRMGULT-QGZVFWFLSA-N 1 3 335.496 0.409 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000890371865 591155003 /nfs/dbraw/zinc/15/50/03/591155003.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 1 3 349.523 0.751 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000890371865 591155005 /nfs/dbraw/zinc/15/50/05/591155005.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 1 3 349.523 0.751 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000890371865 591155007 /nfs/dbraw/zinc/15/50/07/591155007.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 1 3 349.523 0.751 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911204268 609824555 /nfs/dbraw/zinc/82/45/55/609824555.db2.gz ZNFUSBBAIIFHIK-TWMKSMIVSA-N 1 3 348.491 0.810 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239451 610623340 /nfs/dbraw/zinc/62/33/40/610623340.db2.gz OLIJPIQEPCNHLI-DOTOQJQBSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239451 610623342 /nfs/dbraw/zinc/62/33/42/610623342.db2.gz OLIJPIQEPCNHLI-DOTOQJQBSA-N 1 3 335.492 0.929 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167251261 733095891 /nfs/dbraw/zinc/09/58/91/733095891.db2.gz OWBWXWIHZOQWCB-CABCVRRESA-N 1 3 338.496 0.893 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001023128767 736524354 /nfs/dbraw/zinc/52/43/54/736524354.db2.gz RQKKKQMWVPHZPC-IYBDPMFKSA-N 1 3 329.448 0.502 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023372255 736752133 /nfs/dbraw/zinc/75/21/33/736752133.db2.gz PRSHHFWTXCTVNR-INIZCTEOSA-N 1 3 331.464 0.910 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326808 741805723 /nfs/dbraw/zinc/80/57/23/741805723.db2.gz GZMKCSOIWHDXDB-WMLDXEAASA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326808 741805727 /nfs/dbraw/zinc/80/57/27/741805727.db2.gz GZMKCSOIWHDXDB-WMLDXEAASA-N 1 3 346.479 0.915 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000982282813 751861417 /nfs/dbraw/zinc/86/14/17/751861417.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000982282813 751861423 /nfs/dbraw/zinc/86/14/23/751861423.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999373165 744663604 /nfs/dbraw/zinc/66/36/04/744663604.db2.gz FQHITJOCVPVYJN-DOTOQJQBSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348713 761927841 /nfs/dbraw/zinc/92/78/41/761927841.db2.gz DZWFZCUYNKXALB-IXDOHACOSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C[C@H]2C)CC1 ZINC000989829654 754483565 /nfs/dbraw/zinc/48/35/65/754483565.db2.gz UQFQMVHSDGAWDT-WBVHZDCISA-N 1 3 343.475 0.844 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672646 755786073 /nfs/dbraw/zinc/78/60/73/755786073.db2.gz CHTBPPGVPFTCAN-PSBWJHGTSA-N 1 3 335.492 0.926 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056281 /nfs/dbraw/zinc/05/62/81/756056281.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056286 /nfs/dbraw/zinc/05/62/86/756056286.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC001076605729 756724659 /nfs/dbraw/zinc/72/46/59/756724659.db2.gz PSJKAWDPLGSCFS-RYQLBKOJSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC001076605729 756724662 /nfs/dbraw/zinc/72/46/62/756724662.db2.gz PSJKAWDPLGSCFS-RYQLBKOJSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669462 758430736 /nfs/dbraw/zinc/43/07/36/758430736.db2.gz GAHOAZCWDJRVKB-HOTGVXAUSA-N 1 3 348.491 0.422 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669463 758430814 /nfs/dbraw/zinc/43/08/14/758430814.db2.gz GAHOAZCWDJRVKB-HZPDHXFCSA-N 1 3 348.491 0.422 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1=O ZINC000996677574 758448304 /nfs/dbraw/zinc/44/83/04/758448304.db2.gz LGNXMZMGYBQGOQ-IAGOWNOFSA-N 1 3 348.491 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850008 763228367 /nfs/dbraw/zinc/22/83/67/763228367.db2.gz NHRKFENCDGKRCA-QFBILLFUSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850008 763228369 /nfs/dbraw/zinc/22/83/69/763228369.db2.gz NHRKFENCDGKRCA-QFBILLFUSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850005 763229014 /nfs/dbraw/zinc/22/90/14/763229014.db2.gz NHRKFENCDGKRCA-APWZRJJASA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850005 763229021 /nfs/dbraw/zinc/22/90/21/763229021.db2.gz NHRKFENCDGKRCA-APWZRJJASA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000940356345 763281856 /nfs/dbraw/zinc/28/18/56/763281856.db2.gz OBFHCSFBULTNGF-HNNXBMFYSA-N 1 3 345.447 0.710 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695641 763563588 /nfs/dbraw/zinc/56/35/88/763563588.db2.gz RPMIZGCETKSQLY-JKSUJKDBSA-N 1 3 338.496 0.847 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695641 763563594 /nfs/dbraw/zinc/56/35/94/763563594.db2.gz RPMIZGCETKSQLY-JKSUJKDBSA-N 1 3 338.496 0.847 20 30 ECEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572940 764782493 /nfs/dbraw/zinc/78/24/93/764782493.db2.gz RDIZQVREHFYRDC-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052572940 764782501 /nfs/dbraw/zinc/78/25/01/764782501.db2.gz RDIZQVREHFYRDC-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453734 768323536 /nfs/dbraw/zinc/32/35/36/768323536.db2.gz UJZYYVBJZXTETH-QCZOYZIOSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037468 766733487 /nfs/dbraw/zinc/73/34/87/766733487.db2.gz QBCHVRIERQJRJN-MSOLQXFVSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037468 766733490 /nfs/dbraw/zinc/73/34/90/766733490.db2.gz QBCHVRIERQJRJN-MSOLQXFVSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016740841 766827558 /nfs/dbraw/zinc/82/75/58/766827558.db2.gz PKBQQTXOVWFOBB-ZEVUXNIQSA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001046074828 766892972 /nfs/dbraw/zinc/89/29/72/766892972.db2.gz HYZFSQOPDLKIEC-LJQANCHMSA-N 1 3 346.519 0.959 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260296 766925011 /nfs/dbraw/zinc/92/50/11/766925011.db2.gz AYIPGNWUCBUKRN-IAGOWNOFSA-N 1 3 348.491 0.767 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260296 766925015 /nfs/dbraw/zinc/92/50/15/766925015.db2.gz AYIPGNWUCBUKRN-IAGOWNOFSA-N 1 3 348.491 0.767 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001019814006 771829091 /nfs/dbraw/zinc/82/90/91/771829091.db2.gz QBVMRLXXCYXXPP-SFHVURJKSA-N 1 3 343.475 0.764 20 30 ECEDHO C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045506555 775713516 /nfs/dbraw/zinc/71/35/16/775713516.db2.gz RKEQKHUSTHQPTQ-WUJZJPHMSA-N 1 3 331.460 0.844 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212914 783669183 /nfs/dbraw/zinc/66/91/83/783669183.db2.gz XNDQSJVKIROABE-OAGGEKHMSA-N 1 3 332.452 0.680 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212914 783669191 /nfs/dbraw/zinc/66/91/91/783669191.db2.gz XNDQSJVKIROABE-OAGGEKHMSA-N 1 3 332.452 0.680 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533827 784238255 /nfs/dbraw/zinc/23/82/55/784238255.db2.gz SCKXFMPSFPGUOZ-HLLBOEOZSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001071062317 784500790 /nfs/dbraw/zinc/50/07/90/784500790.db2.gz WADULHKNZUFLME-KURKYZTESA-N 1 3 333.476 0.946 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419734540 275738373 /nfs/dbraw/zinc/73/83/73/275738373.db2.gz VBJCTAUPUZRUQD-ZBFHGGJFSA-N 1 3 336.480 0.777 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270574326 436674677 /nfs/dbraw/zinc/67/46/77/436674677.db2.gz OECQKLRUMMUDPS-INIZCTEOSA-N 1 3 348.495 0.911 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264106125 437016273 /nfs/dbraw/zinc/01/62/73/437016273.db2.gz PMBMAAHZNWYUFK-GJZGRUSLSA-N 1 3 338.427 0.954 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340831185 437748382 /nfs/dbraw/zinc/74/83/82/437748382.db2.gz SYUKZGNKBPDORA-IRXDYDNUSA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340831185 437748385 /nfs/dbraw/zinc/74/83/85/437748385.db2.gz SYUKZGNKBPDORA-IRXDYDNUSA-N 1 3 348.491 0.886 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000491304224 439365540 /nfs/dbraw/zinc/36/55/40/439365540.db2.gz FCUHYDORTPVMNP-IBGZPJMESA-N 1 3 329.444 0.695 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000491304224 439365543 /nfs/dbraw/zinc/36/55/43/439365543.db2.gz FCUHYDORTPVMNP-IBGZPJMESA-N 1 3 329.444 0.695 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735983 439456926 /nfs/dbraw/zinc/45/69/26/439456926.db2.gz CHQLYRVVWYQMIB-XQLPTFJDSA-N 1 3 338.452 0.605 20 30 ECEDHO C#CCN1CC[C@@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001041734309 782080060 /nfs/dbraw/zinc/08/00/60/782080060.db2.gz TVGWIBNBBBNJFW-GOSISDBHSA-N 1 3 329.448 0.616 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNc1ccc(C#N)cn1 ZINC000741077600 579765376 /nfs/dbraw/zinc/76/53/76/579765376.db2.gz OIXLVZUBXYLIHG-UHFFFAOYSA-N 1 3 347.467 0.500 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000895666872 586197206 /nfs/dbraw/zinc/19/72/06/586197206.db2.gz UDOKDYJQDFUDFO-HOCLYGCPSA-N 1 3 325.457 0.582 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000895666872 586197207 /nfs/dbraw/zinc/19/72/07/586197207.db2.gz UDOKDYJQDFUDFO-HOCLYGCPSA-N 1 3 325.457 0.582 20 30 ECEDHO N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC000884021843 590706832 /nfs/dbraw/zinc/70/68/32/590706832.db2.gz NYMSAAAZNXJILE-TXKKKEFDSA-N 1 3 340.431 0.569 20 30 ECEDHO C#CCN(C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CCN(C)CC1 ZINC000930829120 611470362 /nfs/dbraw/zinc/47/03/62/611470362.db2.gz YLUYUHUUFHXXRQ-MRXNPFEDSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CCN(C)CC1 ZINC000930829120 611470364 /nfs/dbraw/zinc/47/03/64/611470364.db2.gz YLUYUHUUFHXXRQ-MRXNPFEDSA-N 1 3 348.491 0.391 20 30 ECEDHO CCN1CCC([NH+]2CCC(C(=O)NCC#CCN(C)C)CC2)CC1 ZINC000913522521 609685741 /nfs/dbraw/zinc/68/57/41/609685741.db2.gz NCPPIYDYBQHNSZ-UHFFFAOYSA-N 1 3 334.508 0.864 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970490713 733609820 /nfs/dbraw/zinc/60/98/20/733609820.db2.gz XUALHQCYGANCKC-CABCVRRESA-N 1 3 332.448 0.060 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160633 738739068 /nfs/dbraw/zinc/73/90/68/738739068.db2.gz PLWWKIUQQHHONP-IAGOWNOFSA-N 1 3 348.491 0.840 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001023128328 736523537 /nfs/dbraw/zinc/52/35/37/736523537.db2.gz ZODREAPUTXGTEH-CALCHBBNSA-N 1 3 343.475 0.545 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149315 740425197 /nfs/dbraw/zinc/42/51/97/740425197.db2.gz HGZGKWPKLSMPGI-DBDQLMEASA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149315 740425201 /nfs/dbraw/zinc/42/52/01/740425201.db2.gz HGZGKWPKLSMPGI-DBDQLMEASA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cnns3)C2)CC1 ZINC001027233600 743243686 /nfs/dbraw/zinc/24/36/86/743243686.db2.gz GHOSMHAOWOZYKK-CQSZACIVSA-N 1 3 347.488 0.821 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC1 ZINC000997365956 743536671 /nfs/dbraw/zinc/53/66/71/743536671.db2.gz WSJLIDNNKNXABS-UHFFFAOYSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997691609 743756344 /nfs/dbraw/zinc/75/63/44/743756344.db2.gz KOWHSWZUTLJOBY-GZZPIAKFSA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)CC1 ZINC000999871077 744973293 /nfs/dbraw/zinc/97/32/93/744973293.db2.gz TWDDMHCTNVAZOB-UHFFFAOYSA-N 1 3 343.475 0.844 20 30 ECEDHO C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262409274 747420623 /nfs/dbraw/zinc/42/06/23/747420623.db2.gz PARFWBPYSWHNEX-GOEBONIOSA-N 1 3 326.510 0.990 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC000985154079 747476633 /nfs/dbraw/zinc/47/66/33/747476633.db2.gz CDQOUVJZDDLAMI-JFIYKMOQSA-N 1 3 333.476 0.853 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC000987574687 750977039 /nfs/dbraw/zinc/97/70/39/750977039.db2.gz GPBUCODDAMLUJP-RDJZCZTQSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CC1 ZINC001021469406 757484105 /nfs/dbraw/zinc/48/41/05/757484105.db2.gz BFHLDMMOHMCGOL-AYHJJNSGSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001021469406 757484114 /nfs/dbraw/zinc/48/41/14/757484114.db2.gz BFHLDMMOHMCGOL-AYHJJNSGSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049611042 758991172 /nfs/dbraw/zinc/99/11/72/758991172.db2.gz NWSCUSZNZKDFAQ-SYJBPTKTSA-N 1 3 343.471 0.938 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049611042 758991176 /nfs/dbraw/zinc/99/11/76/758991176.db2.gz NWSCUSZNZKDFAQ-SYJBPTKTSA-N 1 3 343.471 0.938 20 30 ECEDHO C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659929 763143103 /nfs/dbraw/zinc/14/31/03/763143103.db2.gz PEENGUIAMZSCLP-ARFHVFGLSA-N 1 3 338.496 0.846 20 30 ECEDHO C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659929 763143113 /nfs/dbraw/zinc/14/31/13/763143113.db2.gz PEENGUIAMZSCLP-ARFHVFGLSA-N 1 3 338.496 0.846 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001046040253 766746771 /nfs/dbraw/zinc/74/67/71/766746771.db2.gz AKQXOFWNWSFHPO-MOPGFXCFSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040253 766746772 /nfs/dbraw/zinc/74/67/72/766746772.db2.gz AKQXOFWNWSFHPO-MOPGFXCFSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001046040254 766746828 /nfs/dbraw/zinc/74/68/28/766746828.db2.gz AKQXOFWNWSFHPO-OALUTQOASA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040254 766746830 /nfs/dbraw/zinc/74/68/30/766746830.db2.gz AKQXOFWNWSFHPO-OALUTQOASA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@H](C)O)CC3)CC1 ZINC000992513872 766754435 /nfs/dbraw/zinc/75/44/35/766754435.db2.gz WZZBKRRYXQZGSH-IEZWGBDMSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](C)O)CC3)CC1 ZINC000992513872 766754438 /nfs/dbraw/zinc/75/44/38/766754438.db2.gz WZZBKRRYXQZGSH-IEZWGBDMSA-N 1 3 333.476 0.826 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046057981 766816494 /nfs/dbraw/zinc/81/64/94/766816494.db2.gz BLJWHGWICRHRQD-GOSISDBHSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085815 766927650 /nfs/dbraw/zinc/92/76/50/766927650.db2.gz RMUNQHSHGOHHNE-OALUTQOASA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907945 767104911 /nfs/dbraw/zinc/10/49/11/767104911.db2.gz JRIRWNJZRQZJAS-BZUAXINKSA-N 1 3 336.480 0.150 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](CCOC)CC3)CC1 ZINC001016985014 767439123 /nfs/dbraw/zinc/43/91/23/767439123.db2.gz HZDNTGIYSGQCDB-KRWDZBQOSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168691 767765068 /nfs/dbraw/zinc/76/50/68/767765068.db2.gz GZZZUWDATWUMDQ-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168691 767765074 /nfs/dbraw/zinc/76/50/74/767765074.db2.gz GZZZUWDATWUMDQ-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357098 768465037 /nfs/dbraw/zinc/46/50/37/768465037.db2.gz RMZPERLRUJHFAD-OAHLLOKOSA-N 1 3 336.480 0.649 20 30 ECEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357098 768465040 /nfs/dbraw/zinc/46/50/40/768465040.db2.gz RMZPERLRUJHFAD-OAHLLOKOSA-N 1 3 336.480 0.649 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC000993851247 769754687 /nfs/dbraw/zinc/75/46/87/769754687.db2.gz BSPQBFALJCVLOD-QGZVFWFLSA-N 1 3 348.491 0.245 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480074 771315017 /nfs/dbraw/zinc/31/50/17/771315017.db2.gz IAQAOLYBUHUIRJ-MRXNPFEDSA-N 1 3 334.464 0.235 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001019814074 771829260 /nfs/dbraw/zinc/82/92/60/771829260.db2.gz RHZAUNPRFLLNJE-KRWDZBQOSA-N 1 3 329.448 0.456 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1=O ZINC001045067825 774926097 /nfs/dbraw/zinc/92/60/97/774926097.db2.gz AEOBAZJSNCZBRA-HOTGVXAUSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001042369695 780159088 /nfs/dbraw/zinc/15/90/88/780159088.db2.gz ZZGZCRVYXHITNZ-WMZOPIPTSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001042369695 780159093 /nfs/dbraw/zinc/15/90/93/780159093.db2.gz ZZGZCRVYXHITNZ-WMZOPIPTSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618463 /nfs/dbraw/zinc/61/84/63/781618463.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618468 /nfs/dbraw/zinc/61/84/68/781618468.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258466 783757051 /nfs/dbraw/zinc/75/70/51/783757051.db2.gz WHXOHRNEQYQBFV-BBWFWOEESA-N 1 3 346.479 0.928 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258466 783757054 /nfs/dbraw/zinc/75/70/54/783757054.db2.gz WHXOHRNEQYQBFV-BBWFWOEESA-N 1 3 346.479 0.928 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267565499 837781593 /nfs/dbraw/zinc/78/15/93/837781593.db2.gz NYQQJOITFFRELM-JKSUJKDBSA-N 1 3 336.480 0.459 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267565499 837781599 /nfs/dbraw/zinc/78/15/99/837781599.db2.gz NYQQJOITFFRELM-JKSUJKDBSA-N 1 3 336.480 0.459 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001279371581 835725388 /nfs/dbraw/zinc/72/53/88/835725388.db2.gz RKPLSPFMGWFXEO-FGTMMUONSA-N 1 3 333.476 0.901 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001279371581 835725391 /nfs/dbraw/zinc/72/53/91/835725391.db2.gz RKPLSPFMGWFXEO-FGTMMUONSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)CC1 ZINC001267233069 837038330 /nfs/dbraw/zinc/03/83/30/837038330.db2.gz PYHOTXQCQBVRFZ-MRXNPFEDSA-N 1 3 348.491 0.296 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)CC1 ZINC001267233069 837038345 /nfs/dbraw/zinc/03/83/45/837038345.db2.gz PYHOTXQCQBVRFZ-MRXNPFEDSA-N 1 3 348.491 0.296 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000343743986 254688857 /nfs/dbraw/zinc/68/88/57/254688857.db2.gz XBRLMETYSINKLD-MRXNPFEDSA-N 1 3 348.491 0.697 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000130606592 436841713 /nfs/dbraw/zinc/84/17/13/436841713.db2.gz RJCFAMCFRMUJRS-UHFFFAOYSA-N 1 3 331.420 0.449 20 30 ECEDHO COC[C@H](C)NC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000264096021 437017143 /nfs/dbraw/zinc/01/71/43/437017143.db2.gz MSPDRXWLOBJUJG-HNNXBMFYSA-N 1 3 334.468 0.533 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333367714 437269982 /nfs/dbraw/zinc/26/99/82/437269982.db2.gz LZHSIFGNZSURTB-QGZVFWFLSA-N 1 3 335.496 0.716 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000343733551 437641450 /nfs/dbraw/zinc/64/14/50/437641450.db2.gz XDSBHZKUULLAGB-ALOPSCKCSA-N 1 3 348.491 0.885 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343733551 437641453 /nfs/dbraw/zinc/64/14/53/437641453.db2.gz XDSBHZKUULLAGB-ALOPSCKCSA-N 1 3 348.491 0.885 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000343772205 437654503 /nfs/dbraw/zinc/65/45/03/437654503.db2.gz WEUCIQLZTXTWBP-UHFFFAOYSA-N 1 3 336.480 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640213 438315508 /nfs/dbraw/zinc/31/55/08/438315508.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640213 438315513 /nfs/dbraw/zinc/31/55/13/438315513.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 1 3 346.519 0.959 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419737384 438369390 /nfs/dbraw/zinc/36/93/90/438369390.db2.gz XYGRQFQASXRPAG-GDBMZVCRSA-N 1 3 336.480 0.871 20 30 ECEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423078979 438635550 /nfs/dbraw/zinc/63/55/50/438635550.db2.gz XCHIKRLKCQUYEB-MRXNPFEDSA-N 1 3 343.431 0.008 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000577474805 438843675 /nfs/dbraw/zinc/84/36/75/438843675.db2.gz LGMFFIKJQDBLDN-SJORKVTESA-N 1 3 337.512 0.969 20 30 ECEDHO Cc1c(C#N)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527123946 439255730 /nfs/dbraw/zinc/25/57/30/439255730.db2.gz ROZMQHYJTICHEQ-UHFFFAOYSA-N 1 3 345.447 0.757 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491660207 439422459 /nfs/dbraw/zinc/42/24/59/439422459.db2.gz NXCACXZCCAAVLT-INIZCTEOSA-N 1 3 336.480 0.742 20 30 ECEDHO C=CC[C@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662726202 439860115 /nfs/dbraw/zinc/86/01/15/439860115.db2.gz FRQTVDNDPCWLSY-GOSISDBHSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710989 439853728 /nfs/dbraw/zinc/85/37/28/439853728.db2.gz KPZGVHRJXXJESM-CRAIPNDOSA-N 1 3 336.480 0.744 20 30 ECEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@@](C)(C#N)C3)CC2)CC1 ZINC000892522283 586271401 /nfs/dbraw/zinc/27/14/01/586271401.db2.gz WCOQDQBTAAXHAO-SFHVURJKSA-N 1 3 349.479 0.869 20 30 ECEDHO N#CCNC(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849052725 589318968 /nfs/dbraw/zinc/31/89/68/589318968.db2.gz SIFBYZKFHZEZNA-UHFFFAOYSA-N 1 3 328.420 0.405 20 30 ECEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630724 611673072 /nfs/dbraw/zinc/67/30/72/611673072.db2.gz BKSSVCGPEYWXIF-VZDIDWBNSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630724 611673076 /nfs/dbraw/zinc/67/30/76/611673076.db2.gz BKSSVCGPEYWXIF-VZDIDWBNSA-N 1 3 331.460 0.796 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225707 733069392 /nfs/dbraw/zinc/06/93/92/733069392.db2.gz XZHBOMMICHWAJB-OAHLLOKOSA-N 1 3 336.480 0.649 20 30 ECEDHO COC(=O)C1(C#N)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001161492682 741282056 /nfs/dbraw/zinc/28/20/56/741282056.db2.gz UZRYVWJAEUODDB-AWEZNQCLSA-N 1 3 338.452 0.787 20 30 ECEDHO C[NH+]=C(NCC1(N(C)C)CCOCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261963507 743191009 /nfs/dbraw/zinc/19/10/09/743191009.db2.gz KWIVFQRBFYALBO-GOEBONIOSA-N 1 3 337.512 0.745 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cncn3C)C2)CC1 ZINC001027233862 743245460 /nfs/dbraw/zinc/24/54/60/743245460.db2.gz MGIXJFGLUOCPHS-MRXNPFEDSA-N 1 3 343.475 0.703 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997611739 743708468 /nfs/dbraw/zinc/70/84/68/743708468.db2.gz GOKSEBYDXVPZDB-SJORKVTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC000999875892 744983386 /nfs/dbraw/zinc/98/33/86/744983386.db2.gz CWILEVRYKKEMPY-UYSNPLJNSA-N 1 3 334.464 0.175 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H](CC)C(N)=O)C2)CC1 ZINC001000990732 745956618 /nfs/dbraw/zinc/95/66/18/745956618.db2.gz DKEPQQIBPWLCJM-CVEARBPZSA-N 1 3 334.464 0.176 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985793457 749115263 /nfs/dbraw/zinc/11/52/63/749115263.db2.gz RRKQIBFWSOBODJ-KRWDZBQOSA-N 1 3 348.491 0.792 20 30 ECEDHO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985793457 749115271 /nfs/dbraw/zinc/11/52/71/749115271.db2.gz RRKQIBFWSOBODJ-KRWDZBQOSA-N 1 3 348.491 0.792 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001021091971 752532189 /nfs/dbraw/zinc/53/21/89/752532189.db2.gz ADJNEIGRGVZXGA-ULQDDVLXSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001021091969 752532961 /nfs/dbraw/zinc/53/29/61/752532961.db2.gz ACQYQUWQFGACJB-SZMVWBNQSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C[C@@H]2C)CC1 ZINC000989829651 754483599 /nfs/dbraw/zinc/48/35/99/754483599.db2.gz UQFQMVHSDGAWDT-DOTOQJQBSA-N 1 3 343.475 0.844 20 30 ECEDHO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001107146088 757037738 /nfs/dbraw/zinc/03/77/38/757037738.db2.gz VCWWNNYVHJSTSI-MRXNPFEDSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146088 757037747 /nfs/dbraw/zinc/03/77/47/757037747.db2.gz VCWWNNYVHJSTSI-MRXNPFEDSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1=O ZINC000996677571 758448269 /nfs/dbraw/zinc/44/82/69/758448269.db2.gz LGNXMZMGYBQGOQ-DLBZAZTESA-N 1 3 348.491 0.694 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779295 758645201 /nfs/dbraw/zinc/64/52/01/758645201.db2.gz KXDBRWLHNXPNOS-WBVHZDCISA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779295 758645207 /nfs/dbraw/zinc/64/52/07/758645207.db2.gz KXDBRWLHNXPNOS-WBVHZDCISA-N 1 3 346.406 0.766 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001047638242 759374156 /nfs/dbraw/zinc/37/41/56/759374156.db2.gz IGSQHGSYCXIHHP-ROUUACIJSA-N 1 3 333.476 0.635 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001047638242 759374167 /nfs/dbraw/zinc/37/41/67/759374167.db2.gz IGSQHGSYCXIHHP-ROUUACIJSA-N 1 3 333.476 0.635 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050233907 760010126 /nfs/dbraw/zinc/01/01/26/760010126.db2.gz DVZMPCOPVKNJJX-DLBZAZTESA-N 1 3 348.491 0.697 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001016330135 766126830 /nfs/dbraw/zinc/12/68/30/766126830.db2.gz DXLACUQRGAXIFW-GOSISDBHSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001016330135 766126833 /nfs/dbraw/zinc/12/68/33/766126833.db2.gz DXLACUQRGAXIFW-GOSISDBHSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064356 766843943 /nfs/dbraw/zinc/84/39/43/766843943.db2.gz LMWXOFJDAYOZCC-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064356 766843953 /nfs/dbraw/zinc/84/39/53/766843953.db2.gz LMWXOFJDAYOZCC-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001046085164 766926479 /nfs/dbraw/zinc/92/64/79/766926479.db2.gz NAFVKVDXMNUVTQ-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085164 766926480 /nfs/dbraw/zinc/92/64/80/766926480.db2.gz NAFVKVDXMNUVTQ-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001018972968 770437601 /nfs/dbraw/zinc/43/76/01/770437601.db2.gz YWMOJTIJZRZZTM-GOEBONIOSA-N 1 3 334.464 0.448 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1=O ZINC001045067826 774926934 /nfs/dbraw/zinc/92/69/34/774926934.db2.gz AEOBAZJSNCZBRA-JKSUJKDBSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382759 783920462 /nfs/dbraw/zinc/92/04/62/783920462.db2.gz PGZUXMLGBYJVGF-JZXOWHBKSA-N 1 3 348.491 0.600 20 30 ECEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382759 783920465 /nfs/dbraw/zinc/92/04/65/783920465.db2.gz PGZUXMLGBYJVGF-JZXOWHBKSA-N 1 3 348.491 0.600 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070500819 784197341 /nfs/dbraw/zinc/19/73/41/784197341.db2.gz JHMHMCHDAWZMEU-USXIJHARSA-N 1 3 329.448 0.278 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC)C2)CC1 ZINC001070567995 784285560 /nfs/dbraw/zinc/28/55/60/784285560.db2.gz UHIUUWJGLRADIN-FUHWJXTLSA-N 1 3 343.475 0.669 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629334 784460768 /nfs/dbraw/zinc/46/07/68/784460768.db2.gz GCJVNIJWOACMBL-BZUAXINKSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001266995891 836581222 /nfs/dbraw/zinc/58/12/22/836581222.db2.gz WQICRPUACQKZFR-GDBMZVCRSA-N 1 3 344.463 0.205 20 30 ECEDHO C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267001381 836591567 /nfs/dbraw/zinc/59/15/67/836591567.db2.gz OWDNEAOEOKSSED-HOTGVXAUSA-N 1 3 336.480 0.601 20 30 ECEDHO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267024941 836643574 /nfs/dbraw/zinc/64/35/74/836643574.db2.gz AGLCOBKUPBTJPK-INIZCTEOSA-N 1 3 336.480 0.697 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001268040912 839153525 /nfs/dbraw/zinc/15/35/25/839153525.db2.gz DCUGONJVGOKSDF-LSDHHAIUSA-N 1 3 336.480 0.483 20 30 ECEDHO C[NH+]=C(NCCN1CCSCC1)NC1CCN(C2CC2)CC1 ZINC000262767582 277750502 /nfs/dbraw/zinc/75/05/02/277750502.db2.gz GQUJOTPNNWLKQA-UHFFFAOYSA-N 1 3 325.526 0.827 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000333156327 437260050 /nfs/dbraw/zinc/26/00/50/437260050.db2.gz FSRXJMSXMUQOEQ-QGZVFWFLSA-N 1 3 335.496 0.716 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000343742810 437645243 /nfs/dbraw/zinc/64/52/43/437645243.db2.gz SEXYEXBEEYSZQL-INIZCTEOSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000342032898 437947303 /nfs/dbraw/zinc/94/73/03/437947303.db2.gz IFPSWIOMRWKDKS-INIZCTEOSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419728737 438369604 /nfs/dbraw/zinc/36/96/04/438369604.db2.gz NPPWIWKFIBMFST-INIZCTEOSA-N 1 3 336.480 0.777 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000369280557 438449424 /nfs/dbraw/zinc/44/94/24/438449424.db2.gz RHQRZAGXIBHJKY-KRWDZBQOSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000490648916 439283257 /nfs/dbraw/zinc/28/32/57/439283257.db2.gz DCRMIBKROAZDQJ-MRXNPFEDSA-N 1 3 333.476 0.949 20 30 ECEDHO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CNC[C@@H]3C#N)CC2)c1 ZINC000844195462 589102225 /nfs/dbraw/zinc/10/22/25/589102225.db2.gz UFPAISKCHSYEOV-FUHWJXTLSA-N 1 3 341.459 0.735 20 30 ECEDHO C#CCC1(O)CCN(CCOCC[NH+]2CCC(O)(CC#C)CC2)CC1 ZINC000880480702 590395276 /nfs/dbraw/zinc/39/52/76/590395276.db2.gz CEPCLZJUUZVTKH-UHFFFAOYSA-N 1 3 348.487 0.703 20 30 ECEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752121 590408922 /nfs/dbraw/zinc/40/89/22/590408922.db2.gz GXZAGKCHWMVSOP-ZDUSSCGKSA-N 1 3 328.844 0.223 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364720 591151859 /nfs/dbraw/zinc/15/18/59/591151859.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 1 3 337.512 0.609 20 30 ECEDHO C#CCN(C(=O)C(=O)N(C)C[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000910888325 609774271 /nfs/dbraw/zinc/77/42/71/609774271.db2.gz YAIIHWDMQHUZLW-INIZCTEOSA-N 1 3 334.464 0.095 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000969846474 732435828 /nfs/dbraw/zinc/43/58/28/732435828.db2.gz VNXXRZKWMWKHCA-BZUAXINKSA-N 1 3 336.480 0.550 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260843 733105177 /nfs/dbraw/zinc/10/51/77/733105177.db2.gz MXNYOGZFLDRZAA-GJZGRUSLSA-N 1 3 336.480 0.341 20 30 ECEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433562 736191865 /nfs/dbraw/zinc/19/18/65/736191865.db2.gz KTIQBVDGTANEFD-MJQPBPLVSA-N 1 3 345.487 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@@H](C)O)C3)CC1 ZINC000982162352 751652048 /nfs/dbraw/zinc/65/20/48/751652048.db2.gz PRPRHSCBGTXYNJ-MRXNPFEDSA-N 1 3 333.476 0.637 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@@H](C)O)C3)CC1 ZINC000982162352 751652052 /nfs/dbraw/zinc/65/20/52/751652052.db2.gz PRPRHSCBGTXYNJ-MRXNPFEDSA-N 1 3 333.476 0.637 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326678 741809409 /nfs/dbraw/zinc/80/94/09/741809409.db2.gz BPTPVKOKTJYKME-AWEZNQCLSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326678 741809413 /nfs/dbraw/zinc/80/94/13/741809413.db2.gz BPTPVKOKTJYKME-AWEZNQCLSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091556 742525749 /nfs/dbraw/zinc/52/57/49/742525749.db2.gz PCKPPXKMUFEWAI-DZGCQCFKSA-N 1 3 331.420 0.177 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997040584 743160836 /nfs/dbraw/zinc/16/08/36/743160836.db2.gz HEDWFKONEFBSMY-OAHLLOKOSA-N 1 3 331.420 0.320 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999347322 744642062 /nfs/dbraw/zinc/64/20/62/744642062.db2.gz JEEIMAOSKPSQNO-CVEARBPZSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999347323 744642126 /nfs/dbraw/zinc/64/21/26/744642126.db2.gz JEEIMAOSKPSQNO-HOTGVXAUSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999373167 744663543 /nfs/dbraw/zinc/66/35/43/744663543.db2.gz FQHITJOCVPVYJN-RDJZCZTQSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC000984803773 746960516 /nfs/dbraw/zinc/96/05/16/746960516.db2.gz JNAJXOSXXLVBPF-LUKYLMHMSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000979085028 747151086 /nfs/dbraw/zinc/15/10/86/747151086.db2.gz DXGQOAFYYGRIRH-DDBAPUKQSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000979085028 747151090 /nfs/dbraw/zinc/15/10/90/747151090.db2.gz DXGQOAFYYGRIRH-DDBAPUKQSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC000985154128 747476717 /nfs/dbraw/zinc/47/67/17/747476717.db2.gz HCVPBGYKYPDCGA-JCNLHEQBSA-N 1 3 343.475 0.750 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429989 748855621 /nfs/dbraw/zinc/85/56/21/748855621.db2.gz JPKWEYKIAGTYIV-SCTDSRPQSA-N 1 3 333.476 0.758 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429989 748855626 /nfs/dbraw/zinc/85/56/26/748855626.db2.gz JPKWEYKIAGTYIV-SCTDSRPQSA-N 1 3 333.476 0.758 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252808 749258429 /nfs/dbraw/zinc/25/84/29/749258429.db2.gz JGRMKBJSDMLRKB-FGTMMUONSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252808 749258431 /nfs/dbraw/zinc/25/84/31/749258431.db2.gz JGRMKBJSDMLRKB-FGTMMUONSA-N 1 3 333.476 0.541 20 30 ECEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257546 /nfs/dbraw/zinc/25/75/46/751257546.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257551 /nfs/dbraw/zinc/25/75/51/751257551.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257557 /nfs/dbraw/zinc/25/75/57/751257557.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257558 /nfs/dbraw/zinc/25/75/58/751257558.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 3 331.460 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCn2cccn2)CC1 ZINC001028333447 752402727 /nfs/dbraw/zinc/40/27/27/752402727.db2.gz LGITVQCMDMPLOK-SFHVURJKSA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cccn2)CC1 ZINC001028333447 752402730 /nfs/dbraw/zinc/40/27/30/752402730.db2.gz LGITVQCMDMPLOK-SFHVURJKSA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001076917410 757589142 /nfs/dbraw/zinc/58/91/42/757589142.db2.gz FYYPQHBDHQYROE-HNNXBMFYSA-N 1 3 336.480 0.294 20 30 ECEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455428 768325321 /nfs/dbraw/zinc/32/53/21/768325321.db2.gz STBXINOBPJUYFP-QCZOYZIOSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344082 768336637 /nfs/dbraw/zinc/33/66/37/768336637.db2.gz FSUMGIAVLIXNFA-HZPDHXFCSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344082 768336645 /nfs/dbraw/zinc/33/66/45/768336645.db2.gz FSUMGIAVLIXNFA-HZPDHXFCSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001046028614 766691301 /nfs/dbraw/zinc/69/13/01/766691301.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028614 766691305 /nfs/dbraw/zinc/69/13/05/766691305.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270206 780946114 /nfs/dbraw/zinc/94/61/14/780946114.db2.gz GVRDIFZNQODYKH-OKZBNKHCSA-N 1 3 345.487 0.901 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270206 780946118 /nfs/dbraw/zinc/94/61/18/780946118.db2.gz GVRDIFZNQODYKH-OKZBNKHCSA-N 1 3 345.487 0.901 20 30 ECEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001040779391 783423930 /nfs/dbraw/zinc/42/39/30/783423930.db2.gz HZKKESLIAIEHHF-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070269048 783770854 /nfs/dbraw/zinc/77/08/54/783770854.db2.gz ZMBXXIBGLZNRNS-OWCLPIDISA-N 1 3 334.468 0.782 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001267928937 838806369 /nfs/dbraw/zinc/80/63/69/838806369.db2.gz HGFBKHLXFUOMEC-JYJNAYRXSA-N 1 3 336.480 0.647 20 30 ECEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000190004710 437618014 /nfs/dbraw/zinc/61/80/14/437618014.db2.gz KBSXBWMLAOTSFC-HUUCEWRRSA-N 1 3 340.468 0.725 20 30 ECEDHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264098507 437017019 /nfs/dbraw/zinc/01/70/19/437017019.db2.gz NDMRNYKOALETKN-UHFFFAOYSA-N 1 3 333.436 0.125 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000360172134 437546669 /nfs/dbraw/zinc/54/66/69/437546669.db2.gz RKDYGDKBVITXHW-UHFFFAOYSA-N 1 3 338.496 0.991 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](CC)CCC)CC1 ZINC000360172134 437546675 /nfs/dbraw/zinc/54/66/75/437546675.db2.gz RKDYGDKBVITXHW-UHFFFAOYSA-N 1 3 338.496 0.991 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419736235 438368745 /nfs/dbraw/zinc/36/87/45/438368745.db2.gz WYQOYDZIJPEEAV-HNNXBMFYSA-N 1 3 336.480 0.647 20 30 ECEDHO CC1CC[NH+](C[C@H](O)CNC[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498630 439148326 /nfs/dbraw/zinc/14/83/26/439148326.db2.gz HWMDUAFDYJJHKO-GOEBONIOSA-N 1 3 332.452 0.479 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000490636571 439281390 /nfs/dbraw/zinc/28/13/90/439281390.db2.gz NCFCLSGFVJOOGD-UHFFFAOYSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000491569856 439408273 /nfs/dbraw/zinc/40/82/73/439408273.db2.gz YJCINNSPXPFAKB-MRXNPFEDSA-N 1 3 348.491 0.438 20 30 ECEDHO C=CCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662721264 439857814 /nfs/dbraw/zinc/85/78/14/439857814.db2.gz MYYNOVHHHYCGBO-OAHLLOKOSA-N 1 3 332.452 0.973 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000889332551 590683143 /nfs/dbraw/zinc/68/31/43/590683143.db2.gz DPWQAQVWRMNZBG-IRXDYDNUSA-N 1 3 337.512 0.655 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642820 590881989 /nfs/dbraw/zinc/88/19/89/590881989.db2.gz REICUWOWSSUOLV-HZPDHXFCSA-N 1 3 334.464 0.496 20 30 ECEDHO C#CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C1CCN(C)CC1 ZINC000921667224 611293517 /nfs/dbraw/zinc/29/35/17/611293517.db2.gz MRILIJYSDMXEDZ-UHFFFAOYSA-N 1 3 349.523 0.751 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189310 611894334 /nfs/dbraw/zinc/89/43/34/611894334.db2.gz PKRRLBRXTJSQJF-IRXDYDNUSA-N 1 3 333.476 0.901 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189310 611894336 /nfs/dbraw/zinc/89/43/36/611894336.db2.gz PKRRLBRXTJSQJF-IRXDYDNUSA-N 1 3 333.476 0.901 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969563245 731971725 /nfs/dbraw/zinc/97/17/25/731971725.db2.gz AIYPHJBTCSNEHD-CVEARBPZSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480669 734825750 /nfs/dbraw/zinc/82/57/50/734825750.db2.gz PSPJFOKLEUVINQ-HNNXBMFYSA-N 1 3 336.480 0.342 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001025629556 739794475 /nfs/dbraw/zinc/79/44/75/739794475.db2.gz IIOURKYKNMKMFN-WMZOPIPTSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629556 739794477 /nfs/dbraw/zinc/79/44/77/739794477.db2.gz IIOURKYKNMKMFN-WMZOPIPTSA-N 1 3 335.492 0.931 20 30 ECEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045848 745226381 /nfs/dbraw/zinc/22/63/81/745226381.db2.gz RDRQQJDNNBBILK-HOCLYGCPSA-N 1 3 332.452 0.669 20 30 ECEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045848 745226387 /nfs/dbraw/zinc/22/63/87/745226387.db2.gz RDRQQJDNNBBILK-HOCLYGCPSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158614 745299081 /nfs/dbraw/zinc/29/90/81/745299081.db2.gz VKYPUGLILWBJDS-SJORKVTESA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158614 745299085 /nfs/dbraw/zinc/29/90/85/745299085.db2.gz VKYPUGLILWBJDS-SJORKVTESA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(C3CC[NH+](CCO)CC3)CC2)CC1 ZINC001000335531 745436157 /nfs/dbraw/zinc/43/61/57/745436157.db2.gz RWCIJDAFTFBSMO-UHFFFAOYSA-N 1 3 333.476 0.685 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000985154068 747476681 /nfs/dbraw/zinc/47/66/81/747476681.db2.gz BIJPEXXDBGDBJK-XIRDDKMYSA-N 1 3 346.475 0.095 20 30 ECEDHO C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCC[C@H](C)C1 ZINC000303908241 748177309 /nfs/dbraw/zinc/17/73/09/748177309.db2.gz XJILRHSWMVZYTM-HOTGVXAUSA-N 1 3 325.501 0.733 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909346 749560626 /nfs/dbraw/zinc/56/06/26/749560626.db2.gz LKRRVWXDTROIET-RDJZCZTQSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909346 749560630 /nfs/dbraw/zinc/56/06/30/749560630.db2.gz LKRRVWXDTROIET-RDJZCZTQSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001021090237 752530000 /nfs/dbraw/zinc/53/00/00/752530000.db2.gz PQTXHOGWYFIZPW-QAQDUYKDSA-N 1 3 346.475 0.191 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001022711980 759025886 /nfs/dbraw/zinc/02/58/86/759025886.db2.gz HQOUPNMUUNEUDR-LVQVYYBASA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022715726 759030465 /nfs/dbraw/zinc/03/04/65/759030465.db2.gz LAEWNBUMBFORSR-LVQVYYBASA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014453859 762710553 /nfs/dbraw/zinc/71/05/53/762710553.db2.gz UNIZPMGCFMXLRP-KSZLIROESA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850007 763228289 /nfs/dbraw/zinc/22/82/89/763228289.db2.gz NHRKFENCDGKRCA-LPHOPBHVSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850007 763228297 /nfs/dbraw/zinc/22/82/97/763228297.db2.gz NHRKFENCDGKRCA-LPHOPBHVSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047845 766778839 /nfs/dbraw/zinc/77/88/39/766778839.db2.gz YVOPIJOVPIINDZ-RTBURBONSA-N 1 3 344.503 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064218 766841951 /nfs/dbraw/zinc/84/19/51/766841951.db2.gz IJXBRTSPEZVHSV-QGZVFWFLSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064218 766841960 /nfs/dbraw/zinc/84/19/60/766841960.db2.gz IJXBRTSPEZVHSV-QGZVFWFLSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046074123 766889613 /nfs/dbraw/zinc/88/96/13/766889613.db2.gz SKFXCXQVNLSNNE-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046074123 766889622 /nfs/dbraw/zinc/88/96/22/766889622.db2.gz SKFXCXQVNLSNNE-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCO)CC1 ZINC001089736364 767137366 /nfs/dbraw/zinc/13/73/66/767137366.db2.gz VYYBNCVTFRWBMI-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCO)CC1 ZINC001089736364 767137368 /nfs/dbraw/zinc/13/73/68/767137368.db2.gz VYYBNCVTFRWBMI-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001019815180 771830537 /nfs/dbraw/zinc/83/05/37/771830537.db2.gz BIWSEHLGGWTLPR-DLBZAZTESA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070657720 784510566 /nfs/dbraw/zinc/51/05/66/784510566.db2.gz HINWLLKZHLSMOM-BRWVUGGUSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070657720 784510575 /nfs/dbraw/zinc/51/05/75/784510575.db2.gz HINWLLKZHLSMOM-BRWVUGGUSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCCN1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227871 784786811 /nfs/dbraw/zinc/78/68/11/784786811.db2.gz LIOOYOYHCHEKKD-LPHOPBHVSA-N 1 3 331.460 0.797 20 30 ECEDHO C#CCCN1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227870 784786866 /nfs/dbraw/zinc/78/68/66/784786866.db2.gz LIOOYOYHCHEKKD-APWZRJJASA-N 1 3 331.460 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001266995898 836581642 /nfs/dbraw/zinc/58/16/42/836581642.db2.gz WQICRPUACQKZFR-ZBFHGGJFSA-N 1 3 344.463 0.205 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596923 837902422 /nfs/dbraw/zinc/90/24/22/837902422.db2.gz RKTRIVQZLXWYSC-HZPDHXFCSA-N 1 3 338.496 0.798 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596923 837902429 /nfs/dbraw/zinc/90/24/29/837902429.db2.gz RKTRIVQZLXWYSC-HZPDHXFCSA-N 1 3 338.496 0.798 20 30 ECEDHO C=CCNC(=O)[C@H](C)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267745669 838451495 /nfs/dbraw/zinc/45/14/95/838451495.db2.gz ASXPPRGEDFSCCH-HNNXBMFYSA-N 1 3 338.496 0.799 20 30 ECEDHO CN(CCC#N)C(=O)CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362490033 282394988 /nfs/dbraw/zinc/39/49/88/282394988.db2.gz YTDKHIQIULCBOY-QGZVFWFLSA-N 1 3 335.496 0.849 20 30 ECEDHO CN(CCC#N)C(=O)CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362490033 282394990 /nfs/dbraw/zinc/39/49/90/282394990.db2.gz YTDKHIQIULCBOY-QGZVFWFLSA-N 1 3 335.496 0.849 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COC2(CCOCC2)O1 ZINC000262129912 436909619 /nfs/dbraw/zinc/90/96/19/436909619.db2.gz KPCKSLHWNXCCJY-KGLIPLIRSA-N 1 3 326.441 0.297 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000340804923 437739724 /nfs/dbraw/zinc/73/97/24/437739724.db2.gz UXQDWZZEMKNFEK-HNNXBMFYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C(C)C ZINC000417063542 438020017 /nfs/dbraw/zinc/02/00/17/438020017.db2.gz NUAXFQKKBCBSQX-IAGOWNOFSA-N 1 3 337.512 0.888 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC000419564724 438362244 /nfs/dbraw/zinc/36/22/44/438362244.db2.gz CUVAMYMOHKMMFK-CVEARBPZSA-N 1 3 336.480 0.622 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419737386 438370422 /nfs/dbraw/zinc/37/04/22/438370422.db2.gz XYGRQFQASXRPAG-GOEBONIOSA-N 1 3 336.480 0.871 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000557732971 438804568 /nfs/dbraw/zinc/80/45/68/438804568.db2.gz JWQMIIQHSRPXBU-QGZVFWFLSA-N 1 3 348.491 0.840 20 30 ECEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437928 439561398 /nfs/dbraw/zinc/56/13/98/439561398.db2.gz LNXXOFFWVBKSBW-LSDHHAIUSA-N 1 3 337.468 0.457 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000600734584 439697218 /nfs/dbraw/zinc/69/72/18/439697218.db2.gz HLZYYYCBWJJHDA-INIZCTEOSA-N 1 3 338.496 0.673 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000659700950 440434494 /nfs/dbraw/zinc/43/44/94/440434494.db2.gz BYILDBLMOCZXIM-WUJZJPHMSA-N 1 3 348.491 0.751 20 30 ECEDHO Cc1cc(C#N)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000577819131 322847072 /nfs/dbraw/zinc/84/70/72/322847072.db2.gz MHHBAFXOVKUNMT-UHFFFAOYSA-N 1 3 345.447 0.757 20 30 ECEDHO Cn1ccnc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329195118 546017004 /nfs/dbraw/zinc/01/70/04/546017004.db2.gz SFYXRWRHHXESFS-UHFFFAOYSA-N 1 3 334.468 0.982 20 30 ECEDHO N#C[C@@H]1CNC[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000834484929 588902559 /nfs/dbraw/zinc/90/25/59/588902559.db2.gz PFCSPSMUJBBHBR-AEFFLSMTSA-N 1 3 341.459 0.817 20 30 ECEDHO C=C1[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000900001574 586517671 /nfs/dbraw/zinc/51/76/71/586517671.db2.gz GNLBAONDNTZLKB-HZPDHXFCSA-N 1 3 334.464 0.209 20 30 ECEDHO C#CC[C@H](COC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858189850 589729853 /nfs/dbraw/zinc/72/98/53/589729853.db2.gz ULAWDZKAQHACBS-MRXNPFEDSA-N 1 3 336.480 0.883 20 30 ECEDHO CO[C@@H]1COCC[C@@H]1N(C)CC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433388 590393492 /nfs/dbraw/zinc/39/34/92/590393492.db2.gz WKYFZBGLBJUBGC-WNRNVDISSA-N 1 3 340.464 0.461 20 30 ECEDHO CO[C@@H]1COCC[C@@H]1N(C)CC#CC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433388 590393495 /nfs/dbraw/zinc/39/34/95/590393495.db2.gz WKYFZBGLBJUBGC-WNRNVDISSA-N 1 3 340.464 0.461 20 30 ECEDHO N#C[C@H]1CNC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876801911 590416424 /nfs/dbraw/zinc/41/64/24/590416424.db2.gz KHQNBWWQCWATEX-IRXDYDNUSA-N 1 3 341.459 0.598 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000884163348 590759097 /nfs/dbraw/zinc/75/90/97/590759097.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000884163348 590759099 /nfs/dbraw/zinc/75/90/99/590759099.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000884163348 590759101 /nfs/dbraw/zinc/75/91/01/590759101.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CCN(C)CC1 ZINC000930829119 611470451 /nfs/dbraw/zinc/47/04/51/611470451.db2.gz YLUYUHUUFHXXRQ-INIZCTEOSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CCN(C)CC1 ZINC000930829119 611470453 /nfs/dbraw/zinc/47/04/53/611470453.db2.gz YLUYUHUUFHXXRQ-INIZCTEOSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1CCN(CCC)C1)C1CC[NH+](C)CC1 ZINC000931019254 611498503 /nfs/dbraw/zinc/49/85/03/611498503.db2.gz UYDXALGEUPJXGJ-HNNXBMFYSA-N 1 3 334.464 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCOC3(CC[NH+](CCO)CC3)C2)CC1 ZINC000949251046 608597352 /nfs/dbraw/zinc/59/73/52/608597352.db2.gz FPEXCNWCWZNMFR-UHFFFAOYSA-N 1 3 349.475 0.017 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21)C1CC[NH+](C)CC1 ZINC000910887740 609774162 /nfs/dbraw/zinc/77/41/62/609774162.db2.gz TYSYSNMZIWFFBX-DOTOQJQBSA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000923324398 611229833 /nfs/dbraw/zinc/22/98/33/611229833.db2.gz GUUYWKKBAOOKAK-SFHVURJKSA-N 1 3 348.491 0.979 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189309 611894450 /nfs/dbraw/zinc/89/44/50/611894450.db2.gz PKRRLBRXTJSQJF-IAGOWNOFSA-N 1 3 333.476 0.901 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189309 611894452 /nfs/dbraw/zinc/89/44/52/611894452.db2.gz PKRRLBRXTJSQJF-IAGOWNOFSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260842 733104928 /nfs/dbraw/zinc/10/49/28/733104928.db2.gz MXNYOGZFLDRZAA-CABCVRRESA-N 1 3 336.480 0.341 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970177843 733134227 /nfs/dbraw/zinc/13/42/27/733134227.db2.gz ILDCDSLVZGUMQH-SJORKVTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636306 736188381 /nfs/dbraw/zinc/18/83/81/736188381.db2.gz RRVWWLNYAFVWTH-HOTGVXAUSA-N 1 3 336.480 0.483 20 30 ECEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997228454 743375587 /nfs/dbraw/zinc/37/55/87/743375587.db2.gz KOWHSWZUTLJOBY-RXHUYCNISA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977626 745946885 /nfs/dbraw/zinc/94/68/85/745946885.db2.gz RMVJWQOSLFVVFW-HFCFLWKCSA-N 1 3 329.444 0.621 20 30 ECEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977626 745946887 /nfs/dbraw/zinc/94/68/87/745946887.db2.gz RMVJWQOSLFVVFW-HFCFLWKCSA-N 1 3 329.444 0.621 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H](CC)C(N)=O)C2)CC1 ZINC001000990738 745956791 /nfs/dbraw/zinc/95/67/91/745956791.db2.gz DKEPQQIBPWLCJM-HOTGVXAUSA-N 1 3 334.464 0.176 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001000994553 745959538 /nfs/dbraw/zinc/95/95/38/745959538.db2.gz VRUGSLGVKJGTKH-IAGOWNOFSA-N 1 3 346.475 0.191 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)C1=O ZINC001087829585 746438440 /nfs/dbraw/zinc/43/84/40/746438440.db2.gz LZQXUMLIHXWVQG-BBWFWOEESA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)C1=O ZINC001087829585 746438443 /nfs/dbraw/zinc/43/84/43/746438443.db2.gz LZQXUMLIHXWVQG-BBWFWOEESA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)CCn3cccn3)C2)CC1 ZINC000980477212 749628988 /nfs/dbraw/zinc/62/89/88/749628988.db2.gz CYRYDXIZJWNFAL-SFHVURJKSA-N 1 3 343.475 0.761 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)CC1 ZINC000980477212 749628993 /nfs/dbraw/zinc/62/89/93/749628993.db2.gz CYRYDXIZJWNFAL-SFHVURJKSA-N 1 3 343.475 0.761 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@H]2C)CC1 ZINC000987574689 750977030 /nfs/dbraw/zinc/97/70/30/750977030.db2.gz GPBUCODDAMLUJP-WBVHZDCISA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnc(C)nc3)C2)CC1 ZINC001021089994 752530315 /nfs/dbraw/zinc/53/03/15/752530315.db2.gz KMATXCYGXFWHDQ-IYARVYRRSA-N 1 3 341.459 0.867 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C[C@@H]2C)CC1 ZINC000989828174 754496584 /nfs/dbraw/zinc/49/65/84/754496584.db2.gz ARQHNDBGODVQCS-RDJZCZTQSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778483 755084224 /nfs/dbraw/zinc/08/42/24/755084224.db2.gz IEXVLWCJGOGXQH-NVXWUHKLSA-N 1 3 348.491 0.553 20 30 ECEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860677 757207804 /nfs/dbraw/zinc/20/78/04/757207804.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860677 757207809 /nfs/dbraw/zinc/20/78/09/757207809.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046087406 766930025 /nfs/dbraw/zinc/93/00/25/766930025.db2.gz WQQTZAGANSCCFO-GOSISDBHSA-N 1 3 332.492 0.714 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000993855878 769764292 /nfs/dbraw/zinc/76/42/92/769764292.db2.gz VJRPUPJARWGUJF-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000993855878 769764297 /nfs/dbraw/zinc/76/42/97/769764297.db2.gz VJRPUPJARWGUJF-OAHLLOKOSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070225999 783695176 /nfs/dbraw/zinc/69/51/76/783695176.db2.gz IPDUSNHQCLHCOV-CABCVRRESA-N 1 3 330.436 0.434 20 30 ECEDHO CC#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741269 787097731 /nfs/dbraw/zinc/09/77/31/787097731.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 1 3 337.464 0.326 20 30 ECEDHO CC#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741269 787097740 /nfs/dbraw/zinc/09/77/40/787097740.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 1 3 337.464 0.326 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569384 837794754 /nfs/dbraw/zinc/79/47/54/837794754.db2.gz UHSPCXJAQBPGKV-CVEARBPZSA-N 1 3 346.475 0.048 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001267026512 836645552 /nfs/dbraw/zinc/64/55/52/836645552.db2.gz OXUNBBRAGVHOLT-RDJZCZTQSA-N 1 3 346.475 0.213 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267184670 836938846 /nfs/dbraw/zinc/93/88/46/836938846.db2.gz CAUOIJSYNMVLHS-OAHLLOKOSA-N 1 3 348.491 0.437 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267928936 838806847 /nfs/dbraw/zinc/80/68/47/838806847.db2.gz HGFBKHLXFUOMEC-BZUAXINKSA-N 1 3 336.480 0.647 20 30 ECEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267955727 838858956 /nfs/dbraw/zinc/85/89/56/838858956.db2.gz FPJDAEHMXIEOTM-OWCLPIDISA-N 1 3 336.480 0.600 20 30 ECEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267955727 838858966 /nfs/dbraw/zinc/85/89/66/838858966.db2.gz FPJDAEHMXIEOTM-OWCLPIDISA-N 1 3 336.480 0.600 20 30 ECEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268069909 839259318 /nfs/dbraw/zinc/25/93/18/839259318.db2.gz BIDVXFJVCSEMNW-OAHLLOKOSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000190004686 437615443 /nfs/dbraw/zinc/61/54/43/437615443.db2.gz KBSXBWMLAOTSFC-CABCVRRESA-N 1 3 340.468 0.725 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000333367712 437269597 /nfs/dbraw/zinc/26/95/97/437269597.db2.gz LZHSIFGNZSURTB-KRWDZBQOSA-N 1 3 335.496 0.716 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000343742812 437644010 /nfs/dbraw/zinc/64/40/10/437644010.db2.gz SEXYEXBEEYSZQL-MRXNPFEDSA-N 1 3 336.480 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC[NH+](CC)CC)CC1 ZINC000343743337 437644277 /nfs/dbraw/zinc/64/42/77/437644277.db2.gz UKJMCRWCNQAKLI-UHFFFAOYSA-N 1 3 338.496 0.991 20 30 ECEDHO CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1C#N ZINC000364223472 437812330 /nfs/dbraw/zinc/81/23/30/437812330.db2.gz SKEISRNFTZFEFA-KRWDZBQOSA-N 1 3 348.495 0.394 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000342032899 437948328 /nfs/dbraw/zinc/94/83/28/437948328.db2.gz IFPSWIOMRWKDKS-MRXNPFEDSA-N 1 3 336.480 0.744 20 30 ECEDHO CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429932 438386575 /nfs/dbraw/zinc/38/65/75/438386575.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 1 3 335.496 0.849 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000576591568 438789645 /nfs/dbraw/zinc/78/96/45/438789645.db2.gz NBKGLLVUQMWEGF-UHFFFAOYSA-N 1 3 336.480 0.731 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCN(CC)CC1 ZINC000104174707 586296560 /nfs/dbraw/zinc/29/65/60/586296560.db2.gz PLFPUTSUIXDMHD-SJORKVTESA-N 1 3 338.544 0.649 20 30 ECEDHO C=C(CN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632203 589597481 /nfs/dbraw/zinc/59/74/81/589597481.db2.gz GOUXNADZFYYICC-CVEARBPZSA-N 1 3 338.496 0.798 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000889332550 590683127 /nfs/dbraw/zinc/68/31/27/590683127.db2.gz DPWQAQVWRMNZBG-DLBZAZTESA-N 1 3 337.512 0.655 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000884163351 590759085 /nfs/dbraw/zinc/75/90/85/590759085.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000884163351 590759086 /nfs/dbraw/zinc/75/90/86/590759086.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000884163351 590759088 /nfs/dbraw/zinc/75/90/88/590759088.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199332 590772035 /nfs/dbraw/zinc/77/20/35/590772035.db2.gz WPZBPMWVNIKHPZ-ZWKOTPCHSA-N 1 3 349.523 0.657 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160738 591052521 /nfs/dbraw/zinc/05/25/21/591052521.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 1 3 338.544 0.647 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481154 611433684 /nfs/dbraw/zinc/43/36/84/611433684.db2.gz SRGJXYCMTPRXQX-CABCVRRESA-N 1 3 346.475 0.284 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180944 611523722 /nfs/dbraw/zinc/52/37/22/611523722.db2.gz SONUGVFVSXWKNV-FTEYMNFISA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180944 611523724 /nfs/dbraw/zinc/52/37/24/611523724.db2.gz SONUGVFVSXWKNV-FTEYMNFISA-N 1 3 347.503 0.928 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091558 742525786 /nfs/dbraw/zinc/52/57/86/742525786.db2.gz PCKPPXKMUFEWAI-UKRRQHHQSA-N 1 3 331.420 0.177 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001027233346 743243883 /nfs/dbraw/zinc/24/38/83/743243883.db2.gz ANSWYQDWVPSLRI-OAHLLOKOSA-N 1 3 344.463 0.098 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)CC1 ZINC000997873917 743862778 /nfs/dbraw/zinc/86/27/78/743862778.db2.gz GYOMZEDDIGSSKZ-INIZCTEOSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@@H](CC)C(N)=O)C2)CC1 ZINC000999875890 744983674 /nfs/dbraw/zinc/98/36/74/744983674.db2.gz CWILEVRYKKEMPY-GPANFISMSA-N 1 3 334.464 0.175 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332626 747723024 /nfs/dbraw/zinc/72/30/24/747723024.db2.gz RAEKDKARQZNEDN-IRXDYDNUSA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332626 747723029 /nfs/dbraw/zinc/72/30/29/747723029.db2.gz RAEKDKARQZNEDN-IRXDYDNUSA-N 1 3 348.491 0.790 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167836325 750514825 /nfs/dbraw/zinc/51/48/25/750514825.db2.gz UDEPUPCHAVQGBQ-OAHLLOKOSA-N 1 3 336.480 0.342 20 30 ECEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257600 /nfs/dbraw/zinc/25/76/00/751257600.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257602 /nfs/dbraw/zinc/25/76/02/751257602.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257607 /nfs/dbraw/zinc/25/76/07/751257607.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257611 /nfs/dbraw/zinc/25/76/11/751257611.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 3 331.460 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C[C@@H]2C)CC1 ZINC000989829653 754483660 /nfs/dbraw/zinc/48/36/60/754483660.db2.gz UQFQMVHSDGAWDT-RDJZCZTQSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2O)CC1 ZINC001047638576 759375016 /nfs/dbraw/zinc/37/50/16/759375016.db2.gz ZCRSZXWTILEGDY-XIRDDKMYSA-N 1 3 339.455 0.583 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2O)CC1 ZINC001047638576 759375027 /nfs/dbraw/zinc/37/50/27/759375027.db2.gz ZCRSZXWTILEGDY-XIRDDKMYSA-N 1 3 339.455 0.583 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042967 766759779 /nfs/dbraw/zinc/75/97/79/766759779.db2.gz QFMZSZLAUXMMMR-KRWDZBQOSA-N 1 3 330.476 0.467 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047843 766778603 /nfs/dbraw/zinc/77/86/03/766778603.db2.gz YVOPIJOVPIINDZ-OALUTQOASA-N 1 3 344.503 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047842 766778781 /nfs/dbraw/zinc/77/87/81/766778781.db2.gz YVOPIJOVPIINDZ-MOPGFXCFSA-N 1 3 344.503 0.713 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000993855003 769761814 /nfs/dbraw/zinc/76/18/14/769761814.db2.gz LLJNQZSOAWKGGZ-UHFFFAOYSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070241539 783726623 /nfs/dbraw/zinc/72/66/23/783726623.db2.gz LAESIWVPXDRFGU-IKGGRYGDSA-N 1 3 344.463 0.680 20 30 ECEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC001069840738 790075335 /nfs/dbraw/zinc/07/53/35/790075335.db2.gz MQUIIRASPHIXEW-WBVHZDCISA-N 1 3 341.459 0.451 20 30 ECEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840738 790075340 /nfs/dbraw/zinc/07/53/40/790075340.db2.gz MQUIIRASPHIXEW-WBVHZDCISA-N 1 3 341.459 0.451 20 30 ECEDHO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267002213 836595262 /nfs/dbraw/zinc/59/52/62/836595262.db2.gz GSHXOXOWKTVFPZ-IRXDYDNUSA-N 1 3 348.491 0.438 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106127 437017052 /nfs/dbraw/zinc/01/70/52/437017052.db2.gz PMBMAAHZNWYUFK-LSDHHAIUSA-N 1 3 338.427 0.954 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000343906649 437691665 /nfs/dbraw/zinc/69/16/65/437691665.db2.gz HPOGRQDRPRAEBI-PBHICJAKSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000373953633 438177407 /nfs/dbraw/zinc/17/74/07/438177407.db2.gz IUOSNFLXTQSKJW-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000373953633 438177413 /nfs/dbraw/zinc/17/74/13/438177413.db2.gz IUOSNFLXTQSKJW-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656310687 440761428 /nfs/dbraw/zinc/76/14/28/440761428.db2.gz CWPLGJJMZARFRE-IRXDYDNUSA-N 1 3 348.491 0.886 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000884163350 590759240 /nfs/dbraw/zinc/75/92/40/590759240.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000884163350 590759243 /nfs/dbraw/zinc/75/92/43/590759243.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000884163350 590759247 /nfs/dbraw/zinc/75/92/47/590759247.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180946 611523993 /nfs/dbraw/zinc/52/39/93/611523993.db2.gz SONUGVFVSXWKNV-SOAMZJECSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180946 611523995 /nfs/dbraw/zinc/52/39/95/611523995.db2.gz SONUGVFVSXWKNV-SOAMZJECSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940962923 610468109 /nfs/dbraw/zinc/46/81/09/610468109.db2.gz YUGBGSCCNMFOEC-DLBZAZTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940962923 610468110 /nfs/dbraw/zinc/46/81/10/610468110.db2.gz YUGBGSCCNMFOEC-DLBZAZTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000970919736 734089484 /nfs/dbraw/zinc/08/94/84/734089484.db2.gz FVEKRMJVKGBNEH-CVEARBPZSA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560668 738107376 /nfs/dbraw/zinc/10/73/76/738107376.db2.gz HXESSOUBRRBMIZ-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560668 738107380 /nfs/dbraw/zinc/10/73/80/738107380.db2.gz HXESSOUBRRBMIZ-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026886469 742041930 /nfs/dbraw/zinc/04/19/30/742041930.db2.gz YINYDAAAFFAKOB-HOTGVXAUSA-N 1 3 348.491 0.696 20 30 ECEDHO C[C@H]1CCN(CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787997 742865697 /nfs/dbraw/zinc/86/56/97/742865697.db2.gz HQMMTIZVCOKZHB-AOCRQIFASA-N 1 3 347.507 0.897 20 30 ECEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045849 745226144 /nfs/dbraw/zinc/22/61/44/745226144.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 1 3 332.452 0.669 20 30 ECEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045849 745226149 /nfs/dbraw/zinc/22/61/49/745226149.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790434 749107346 /nfs/dbraw/zinc/10/73/46/749107346.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 1 3 348.491 0.648 20 30 ECEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790434 749107351 /nfs/dbraw/zinc/10/73/51/749107351.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 1 3 348.491 0.648 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254148 749260339 /nfs/dbraw/zinc/26/03/39/749260339.db2.gz MRUSXDCFXRDYGD-YESZJQIVSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254148 749260346 /nfs/dbraw/zinc/26/03/46/749260346.db2.gz MRUSXDCFXRDYGD-YESZJQIVSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333247 752401076 /nfs/dbraw/zinc/40/10/76/752401076.db2.gz HMQYMYVVGJOXFX-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333247 752401081 /nfs/dbraw/zinc/40/10/81/752401081.db2.gz HMQYMYVVGJOXFX-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC001127779294 758645453 /nfs/dbraw/zinc/64/54/53/758645453.db2.gz KXDBRWLHNXPNOS-RDJZCZTQSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC001127779294 758645455 /nfs/dbraw/zinc/64/54/55/758645455.db2.gz KXDBRWLHNXPNOS-RDJZCZTQSA-N 1 3 346.406 0.766 20 30 ECEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)CCC#N)CC[N@@H+]1C ZINC001127690764 763548991 /nfs/dbraw/zinc/54/89/91/763548991.db2.gz SGXAQKIFPIEJCU-LSDHHAIUSA-N 1 3 337.468 0.185 20 30 ECEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)CCC#N)CC[N@H+]1C ZINC001127690764 763548998 /nfs/dbraw/zinc/54/89/98/763548998.db2.gz SGXAQKIFPIEJCU-LSDHHAIUSA-N 1 3 337.468 0.185 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026034 766681406 /nfs/dbraw/zinc/68/14/06/766681406.db2.gz BEIZHJIZTRTWTQ-RTBURBONSA-N 1 3 344.503 0.570 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCOC)CC3)CC1 ZINC001016985016 767439136 /nfs/dbraw/zinc/43/91/36/767439136.db2.gz HZDNTGIYSGQCDB-QGZVFWFLSA-N 1 3 333.476 0.949 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815781 771830906 /nfs/dbraw/zinc/83/09/06/771830906.db2.gz MVUSSJXLHFPBKO-IRXDYDNUSA-N 1 3 348.491 0.840 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001045321599 775410817 /nfs/dbraw/zinc/41/08/17/775410817.db2.gz XPKXPAFRRNXTON-IRXDYDNUSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045506554 775713554 /nfs/dbraw/zinc/71/35/54/775713554.db2.gz RKEQKHUSTHQPTQ-KOHRHEQBSA-N 1 3 331.460 0.844 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275329 783780255 /nfs/dbraw/zinc/78/02/55/783780255.db2.gz GTNDIUQTMIPXEB-CABCVRRESA-N 1 3 332.452 0.538 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533828 784238472 /nfs/dbraw/zinc/23/84/72/784238472.db2.gz SCKXFMPSFPGUOZ-YQQAZPJKSA-N 1 3 331.464 0.974 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@H]2C)C1=O ZINC001074710637 787657513 /nfs/dbraw/zinc/65/75/13/787657513.db2.gz BEBHGUQELSPDBI-CAOSSQGBSA-N 1 3 336.480 0.693 20 30 ECEDHO C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702714 838300599 /nfs/dbraw/zinc/30/05/99/838300599.db2.gz IJJQZDSDMZRZII-JKSUJKDBSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268069908 839258362 /nfs/dbraw/zinc/25/83/62/839258362.db2.gz BIDVXFJVCSEMNW-HNNXBMFYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000343743959 254688873 /nfs/dbraw/zinc/68/88/73/254688873.db2.gz WTMIBBXNZMWAMH-QGZVFWFLSA-N 1 3 348.491 0.840 20 30 ECEDHO CC[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CCCC1 ZINC000264136185 437016677 /nfs/dbraw/zinc/01/66/77/437016677.db2.gz ZSAOVXBCLYIGNF-OAHLLOKOSA-N 1 3 331.468 0.788 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478666 437658492 /nfs/dbraw/zinc/65/84/92/437658492.db2.gz CSUOXULUDDMUQC-SJORKVTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478666 437658496 /nfs/dbraw/zinc/65/84/96/437658496.db2.gz CSUOXULUDDMUQC-SJORKVTESA-N 1 3 348.491 0.886 20 30 ECEDHO N=C(NO)[C@@H]1CCCCN1CC#CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000367462198 438212487 /nfs/dbraw/zinc/21/24/87/438212487.db2.gz DRHZMGZAWHVION-KBPBESRZSA-N 1 3 336.440 0.611 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419727111 438369726 /nfs/dbraw/zinc/36/97/26/438369726.db2.gz KVWMYFHOTXLDTO-LSDHHAIUSA-N 1 3 336.480 0.586 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000359261596 438395348 /nfs/dbraw/zinc/39/53/48/438395348.db2.gz FSCPKIFSDSCWAE-OAHLLOKOSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000359261596 438395352 /nfs/dbraw/zinc/39/53/52/438395352.db2.gz FSCPKIFSDSCWAE-OAHLLOKOSA-N 1 3 338.496 0.990 20 30 ECEDHO C[NH+]1CCC(CNCc2cccc(C#N)n2)(N2CCOCC2)CC1 ZINC000602699378 439123570 /nfs/dbraw/zinc/12/35/70/439123570.db2.gz YERZRQODXAWRKB-UHFFFAOYSA-N 1 3 329.448 0.839 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000491661996 439422412 /nfs/dbraw/zinc/42/24/12/439422412.db2.gz GKIRWLKSTJICRQ-SJORKVTESA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491661996 439422415 /nfs/dbraw/zinc/42/24/15/439422415.db2.gz GKIRWLKSTJICRQ-SJORKVTESA-N 1 3 348.491 0.391 20 30 ECEDHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000600797143 439702288 /nfs/dbraw/zinc/70/22/88/439702288.db2.gz MTQPZFHBOHUNAB-UHFFFAOYSA-N 1 3 345.447 0.256 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627386448 440169879 /nfs/dbraw/zinc/16/98/79/440169879.db2.gz OSPRIXIIRHRDQN-OAHLLOKOSA-N 1 3 334.464 0.544 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656310688 440759826 /nfs/dbraw/zinc/75/98/26/440759826.db2.gz CWPLGJJMZARFRE-SJORKVTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000900831015 586668265 /nfs/dbraw/zinc/66/82/65/586668265.db2.gz OYGDKSLYCOQMJX-UHFFFAOYSA-N 1 3 336.440 0.007 20 30 ECEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864704 589519414 /nfs/dbraw/zinc/51/94/14/589519414.db2.gz FHFLHOSHSUNJDO-MRXNPFEDSA-N 1 3 334.464 0.048 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861634463 589869474 /nfs/dbraw/zinc/86/94/74/589869474.db2.gz JHQJKZHWIJSODE-QGZVFWFLSA-N 1 3 336.480 0.742 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232521 733077104 /nfs/dbraw/zinc/07/71/04/733077104.db2.gz FVCFTGPQOLOOLR-JKSUJKDBSA-N 1 3 348.491 0.342 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN(C)CCC)C2)C1=O ZINC001210811746 734030083 /nfs/dbraw/zinc/03/00/83/734030083.db2.gz QKENGLGHMLKVRU-HOTGVXAUSA-N 1 3 336.480 0.696 20 30 ECEDHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001104346502 734481389 /nfs/dbraw/zinc/48/13/89/734481389.db2.gz DUVCTJDLQPGJFY-RBSFLKMASA-N 1 3 337.468 0.041 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227449 782522936 /nfs/dbraw/zinc/52/29/36/782522936.db2.gz ZVRWHGXEVCLJTP-KZNAEPCWSA-N 1 3 349.475 0.062 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227449 782522943 /nfs/dbraw/zinc/52/29/43/782522943.db2.gz ZVRWHGXEVCLJTP-KZNAEPCWSA-N 1 3 349.475 0.062 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC001023128213 736523516 /nfs/dbraw/zinc/52/35/16/736523516.db2.gz USBYFGNDLGYRGZ-BBWFWOEESA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318028 738289510 /nfs/dbraw/zinc/28/95/10/738289510.db2.gz PYAYNFGOYHFUJC-KZNAEPCWSA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318028 738289513 /nfs/dbraw/zinc/28/95/13/738289513.db2.gz PYAYNFGOYHFUJC-KZNAEPCWSA-N 1 3 347.503 0.929 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732290 739569085 /nfs/dbraw/zinc/56/90/85/739569085.db2.gz RQOVFODDJZORTR-RBSFLKMASA-N 1 3 347.463 0.717 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)CC1 ZINC001083283840 739745292 /nfs/dbraw/zinc/74/52/92/739745292.db2.gz WZIDGQIMKXYFBQ-ZWKOTPCHSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)CC1 ZINC001083283840 739745296 /nfs/dbraw/zinc/74/52/96/739745296.db2.gz WZIDGQIMKXYFBQ-ZWKOTPCHSA-N 1 3 333.476 0.899 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@@H](CC)C(N)=O)CC2)CC1 ZINC001026609392 741613049 /nfs/dbraw/zinc/61/30/49/741613049.db2.gz GIOIYDWUKPIOSS-JCYILVPMSA-N 1 3 348.491 0.613 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)CC1 ZINC000997362599 743534664 /nfs/dbraw/zinc/53/46/64/743534664.db2.gz AOOMSJGFGOAZIE-UHFFFAOYSA-N 1 3 344.463 0.241 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998119529 743987814 /nfs/dbraw/zinc/98/78/14/743987814.db2.gz MLDZKONCFHOUQO-INIZCTEOSA-N 1 3 345.447 0.567 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998273595 744091990 /nfs/dbraw/zinc/09/19/90/744091990.db2.gz KIGUMHCFUALQGT-QGZVFWFLSA-N 1 3 348.491 0.697 20 30 ECEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035963 745212614 /nfs/dbraw/zinc/21/26/14/745212614.db2.gz RPBZDWBJRVQURW-INIZCTEOSA-N 1 3 344.463 0.813 20 30 ECEDHO C#CCN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136000 747469249 /nfs/dbraw/zinc/46/92/49/747469249.db2.gz PWTBUQJXZXXJNL-WBVHZDCISA-N 1 3 329.448 0.472 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000985155383 747480594 /nfs/dbraw/zinc/48/05/94/747480594.db2.gz YWAOEYAECKPYKM-XIRDDKMYSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000985155381 747481019 /nfs/dbraw/zinc/48/10/19/747481019.db2.gz YWAOEYAECKPYKM-DJIMGWMZSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001021089647 752528674 /nfs/dbraw/zinc/52/86/74/752528674.db2.gz GTDOSSPZFNRLCN-KBAYOESNSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)C(=O)NC)CC2)CC1 ZINC001168307919 754270249 /nfs/dbraw/zinc/27/02/49/754270249.db2.gz MNKORBCCGJMJLA-HNNXBMFYSA-N 1 3 348.491 0.342 20 30 ECEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105656812 755207224 /nfs/dbraw/zinc/20/72/24/755207224.db2.gz UEYXKWZXHSKOFK-FPAYPSAMSA-N 1 3 344.459 0.942 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716854 759031532 /nfs/dbraw/zinc/03/15/32/759031532.db2.gz KKSQELUUIJSIER-XHSDSOJGSA-N 1 3 348.491 0.742 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249800 768014902 /nfs/dbraw/zinc/01/49/02/768014902.db2.gz QLUPAEMIWQTGCZ-FRFSOERESA-N 1 3 336.480 0.313 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCO)C3)CC1 ZINC001047208794 763803849 /nfs/dbraw/zinc/80/38/49/763803849.db2.gz MJKQCGZPDFTLPK-SZMVWBNQSA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CC1 ZINC001047208794 763803856 /nfs/dbraw/zinc/80/38/56/763803856.db2.gz MJKQCGZPDFTLPK-SZMVWBNQSA-N 1 3 333.476 0.683 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339588 768165329 /nfs/dbraw/zinc/16/53/29/768165329.db2.gz UQOHHEVYIBKUJZ-HUUCEWRRSA-N 1 3 338.496 0.703 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046036393 766727141 /nfs/dbraw/zinc/72/71/41/766727141.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036393 766727145 /nfs/dbraw/zinc/72/71/45/766727145.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741453 766828810 /nfs/dbraw/zinc/82/88/10/766828810.db2.gz XABQLGOFBCYVAE-IOSXPMGOSA-N 1 3 329.444 0.454 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842935 /nfs/dbraw/zinc/84/29/35/766842935.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842946 /nfs/dbraw/zinc/84/29/46/766842946.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001042369692 780159402 /nfs/dbraw/zinc/15/94/02/780159402.db2.gz ZZGZCRVYXHITNZ-AEFFLSMTSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001042369692 780159407 /nfs/dbraw/zinc/15/94/07/780159407.db2.gz ZZGZCRVYXHITNZ-AEFFLSMTSA-N 1 3 333.476 0.901 20 30 ECEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382760 783921012 /nfs/dbraw/zinc/92/10/12/783921012.db2.gz PGZUXMLGBYJVGF-NUJGCVRESA-N 1 3 348.491 0.600 20 30 ECEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382760 783921017 /nfs/dbraw/zinc/92/10/17/783921017.db2.gz PGZUXMLGBYJVGF-NUJGCVRESA-N 1 3 348.491 0.600 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493137 784187144 /nfs/dbraw/zinc/18/71/44/784187144.db2.gz LNLOYXDWLAHNJG-XYJFISCASA-N 1 3 343.475 0.832 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070688014 784553578 /nfs/dbraw/zinc/55/35/78/784553578.db2.gz JOZJUFICMVWFKF-BFYDXBDKSA-N 1 3 331.464 0.524 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267558720 837767228 /nfs/dbraw/zinc/76/72/28/837767228.db2.gz FZBZMLJAKQMJMB-BZUAXINKSA-N 1 3 336.480 0.457 20 30 ECEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267558720 837767233 /nfs/dbraw/zinc/76/72/33/837767233.db2.gz FZBZMLJAKQMJMB-BZUAXINKSA-N 1 3 336.480 0.457 20 30 ECEDHO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267002211 836595651 /nfs/dbraw/zinc/59/56/51/836595651.db2.gz GSHXOXOWKTVFPZ-DLBZAZTESA-N 1 3 348.491 0.438 20 30 ECEDHO NC(=O)C1(NCC#CC[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000351330512 295034401 /nfs/dbraw/zinc/03/44/01/295034401.db2.gz QDHSIAMGSCYBND-UHFFFAOYSA-N 1 3 334.464 0.545 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095072 437017448 /nfs/dbraw/zinc/01/74/48/437017448.db2.gz MJOBGQBWLZOUOF-OAHLLOKOSA-N 1 3 347.463 0.700 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000304805835 437160819 /nfs/dbraw/zinc/16/08/19/437160819.db2.gz DAFCMINMHRRIOD-CYBMUJFWSA-N 1 3 325.457 0.994 20 30 ECEDHO Cn1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000328956756 437293291 /nfs/dbraw/zinc/29/32/91/437293291.db2.gz JHGHPBYHQKQQGM-UHFFFAOYSA-N 1 3 334.468 0.982 20 30 ECEDHO C=CCNC(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180605672 437297248 /nfs/dbraw/zinc/29/72/48/437297248.db2.gz GMOGZSSQWHPJOE-UHFFFAOYSA-N 1 3 337.468 0.146 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000343735115 437641030 /nfs/dbraw/zinc/64/10/30/437641030.db2.gz FNDPNYWTOLWIAC-QGZVFWFLSA-N 1 3 348.491 0.840 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000343737043 437642853 /nfs/dbraw/zinc/64/28/53/437642853.db2.gz HOQQCCURMGKECR-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000343737043 437642857 /nfs/dbraw/zinc/64/28/57/437642857.db2.gz HOQQCCURMGKECR-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000343761770 437649512 /nfs/dbraw/zinc/64/95/12/437649512.db2.gz HXWIEALLLBDJKL-UHFFFAOYSA-N 1 3 348.491 0.840 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343762961 437650261 /nfs/dbraw/zinc/65/02/61/437650261.db2.gz JDTUXFSLIHWJFU-ZBFHGGJFSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343762961 437650262 /nfs/dbraw/zinc/65/02/62/437650262.db2.gz JDTUXFSLIHWJFU-ZBFHGGJFSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478165 437658371 /nfs/dbraw/zinc/65/83/71/437658371.db2.gz AENGIXGRRBTQCH-HZPDHXFCSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478165 437658375 /nfs/dbraw/zinc/65/83/75/437658375.db2.gz AENGIXGRRBTQCH-HZPDHXFCSA-N 1 3 334.464 0.496 20 30 ECEDHO CC(C)N1CCN(CCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000548849388 438734155 /nfs/dbraw/zinc/73/41/55/438734155.db2.gz LXKLAPVTFYENDJ-UHFFFAOYSA-N 1 3 347.511 1.144 20 30 ECEDHO CC(C)N1CCN(CCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000548849388 438734157 /nfs/dbraw/zinc/73/41/57/438734157.db2.gz LXKLAPVTFYENDJ-UHFFFAOYSA-N 1 3 347.511 1.144 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(CCC#N)CC1 ZINC000602332612 439067798 /nfs/dbraw/zinc/06/77/98/439067798.db2.gz GTQIOMWIOCERDQ-INIZCTEOSA-N 1 3 338.500 0.499 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(CCC#N)CC1 ZINC000602332612 439067803 /nfs/dbraw/zinc/06/78/03/439067803.db2.gz GTQIOMWIOCERDQ-INIZCTEOSA-N 1 3 338.500 0.499 20 30 ECEDHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594435895 439559585 /nfs/dbraw/zinc/55/95/85/439559585.db2.gz AUROSPMDENBEMQ-HNNXBMFYSA-N 1 3 337.468 0.410 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000668836195 547763434 /nfs/dbraw/zinc/76/34/34/547763434.db2.gz SOMMRIVSITYHHG-INIZCTEOSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000747404142 579851873 /nfs/dbraw/zinc/85/18/73/579851873.db2.gz HCNMRDQJROTNOW-OAHLLOKOSA-N 1 3 334.464 0.000 20 30 ECEDHO CN(C)CCNC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000877008995 590433412 /nfs/dbraw/zinc/43/34/12/590433412.db2.gz DGHVJBGFCRXHDM-UHFFFAOYSA-N 1 3 342.443 0.920 20 30 ECEDHO N#C[C@H]1CNCC12CC(C(=O)N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000884232835 590783460 /nfs/dbraw/zinc/78/34/60/590783460.db2.gz BOWAGOFGQVTUFQ-CSLYMUCUSA-N 1 3 325.416 0.870 20 30 ECEDHO CN(C)Cc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000104171744 591052954 /nfs/dbraw/zinc/05/29/54/591052954.db2.gz VSURCNKHGZBEGK-UHFFFAOYSA-N 1 3 333.480 0.875 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000929991307 611376831 /nfs/dbraw/zinc/37/68/31/611376831.db2.gz FLHFVJXXSUDEJG-MRXNPFEDSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481155 611434077 /nfs/dbraw/zinc/43/40/77/611434077.db2.gz SRGJXYCMTPRXQX-GJZGRUSLSA-N 1 3 346.475 0.284 20 30 ECEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630723 611672799 /nfs/dbraw/zinc/67/27/99/611672799.db2.gz BKSSVCGPEYWXIF-VIHIWDAPSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000948630723 611672802 /nfs/dbraw/zinc/67/28/02/611672802.db2.gz BKSSVCGPEYWXIF-VIHIWDAPSA-N 1 3 331.460 0.796 20 30 ECEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104291661 734005980 /nfs/dbraw/zinc/00/59/80/734005980.db2.gz ROWOMBIQFWPBGI-FRFSOERESA-N 1 3 349.479 0.041 20 30 ECEDHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104676387 739457494 /nfs/dbraw/zinc/45/74/94/739457494.db2.gz HVELGPVPLSJTNX-OWCLPIDISA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822454 742217552 /nfs/dbraw/zinc/21/75/52/742217552.db2.gz BEDVOELXCIGFPA-BWRBCVJASA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822454 742217557 /nfs/dbraw/zinc/21/75/57/742217557.db2.gz BEDVOELXCIGFPA-BWRBCVJASA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)CC1 ZINC000997364289 743536325 /nfs/dbraw/zinc/53/63/25/743536325.db2.gz KTWIYCYSPWZCTB-UHFFFAOYSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000982282811 751860729 /nfs/dbraw/zinc/86/07/29/751860729.db2.gz ICEDEUIYYBGQJP-PBWTXFEYSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000982282811 751860739 /nfs/dbraw/zinc/86/07/39/751860739.db2.gz ICEDEUIYYBGQJP-PBWTXFEYSA-N 1 3 331.460 0.653 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000997875145 743863139 /nfs/dbraw/zinc/86/31/39/743863139.db2.gz WJVANGUCNUXXAC-CVEARBPZSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158597 745299212 /nfs/dbraw/zinc/29/92/12/745299212.db2.gz VKYPUGLILWBJDS-DLBZAZTESA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158597 745299215 /nfs/dbraw/zinc/29/92/15/745299215.db2.gz VKYPUGLILWBJDS-DLBZAZTESA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001000991643 745957232 /nfs/dbraw/zinc/95/72/32/745957232.db2.gz JLAFGULNIIAURZ-QGZVFWFLSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258154 746128292 /nfs/dbraw/zinc/12/82/92/746128292.db2.gz RSVSQQPZFAZETH-ZJPYXAASSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258154 746128296 /nfs/dbraw/zinc/12/82/96/746128296.db2.gz RSVSQQPZFAZETH-ZJPYXAASSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001088429895 749193632 /nfs/dbraw/zinc/19/36/32/749193632.db2.gz CKYPAJWAQPUVPB-RDJZCZTQSA-N 1 3 348.491 0.566 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC000980477419 749629664 /nfs/dbraw/zinc/62/96/64/749629664.db2.gz GQKLRHMSNFRKCX-KRWDZBQOSA-N 1 3 344.463 0.156 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000980477419 749629672 /nfs/dbraw/zinc/62/96/72/749629672.db2.gz GQKLRHMSNFRKCX-KRWDZBQOSA-N 1 3 344.463 0.156 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000989828530 754497324 /nfs/dbraw/zinc/49/73/24/754497324.db2.gz FDUDYCYASLNWKQ-YJBOKZPZSA-N 1 3 343.475 0.844 20 30 ECEDHO C[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000261860759 754656933 /nfs/dbraw/zinc/65/69/33/754656933.db2.gz RDLSARVFMQGEGQ-MRXNPFEDSA-N 1 3 338.496 0.911 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020035 755576375 /nfs/dbraw/zinc/57/63/75/755576375.db2.gz BOJTXVVLUGHWFW-HRCADAONSA-N 1 3 334.464 0.448 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070690 756056215 /nfs/dbraw/zinc/05/62/15/756056215.db2.gz WVAYYPNXACRRIU-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070690 756056219 /nfs/dbraw/zinc/05/62/19/756056219.db2.gz WVAYYPNXACRRIU-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996671093 758433665 /nfs/dbraw/zinc/43/36/65/758433665.db2.gz LREDLNWOXIFAJD-ZFWWWQNUSA-N 1 3 334.464 0.032 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249801 768014649 /nfs/dbraw/zinc/01/46/49/768014649.db2.gz QLUPAEMIWQTGCZ-UNEWFSDZSA-N 1 3 336.480 0.313 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958086 764943381 /nfs/dbraw/zinc/94/33/81/764943381.db2.gz SZYWFXPMJXUYIL-XGVWBKLPSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958086 764943387 /nfs/dbraw/zinc/94/33/87/764943387.db2.gz SZYWFXPMJXUYIL-XGVWBKLPSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338158 766146830 /nfs/dbraw/zinc/14/68/30/766146830.db2.gz XHMUMDSGUYXHDC-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338158 766146834 /nfs/dbraw/zinc/14/68/34/766146834.db2.gz XHMUMDSGUYXHDC-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046036391 766727231 /nfs/dbraw/zinc/72/72/31/766727231.db2.gz ITHJBNGZAXKAJO-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036391 766727235 /nfs/dbraw/zinc/72/72/35/766727235.db2.gz ITHJBNGZAXKAJO-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513869 766754138 /nfs/dbraw/zinc/75/41/38/766754138.db2.gz WZZBKRRYXQZGSH-AYBZRNKSSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513869 766754141 /nfs/dbraw/zinc/75/41/41/766754141.db2.gz WZZBKRRYXQZGSH-AYBZRNKSSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042968 766759444 /nfs/dbraw/zinc/75/94/44/766759444.db2.gz QFMZSZLAUXMMMR-QGZVFWFLSA-N 1 3 330.476 0.467 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704730 768693409 /nfs/dbraw/zinc/69/34/09/768693409.db2.gz AIFZUOHGYPUZJW-HZSPNIEDSA-N 1 3 333.436 0.327 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC001019560342 771486885 /nfs/dbraw/zinc/48/68/85/771486885.db2.gz BHCYFKLHDXAFBH-IRXDYDNUSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001045182175 775104412 /nfs/dbraw/zinc/10/44/12/775104412.db2.gz NDGLJXIJRQLLLG-DLBZAZTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001071087028 784529137 /nfs/dbraw/zinc/52/91/37/784529137.db2.gz GQUISXHJQDGCCB-SUMDDJOVSA-N 1 3 333.476 0.947 20 30 ECEDHO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001075415580 789343683 /nfs/dbraw/zinc/34/36/83/789343683.db2.gz LTUSXKNTRYHBCA-WMZOPIPTSA-N 1 3 330.432 0.961 20 30 ECEDHO C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267488121 837552695 /nfs/dbraw/zinc/55/26/95/837552695.db2.gz YSSKBQOYHNARAX-AWEZNQCLSA-N 1 3 349.479 0.327 20 30 ECEDHO C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001266536378 835954667 /nfs/dbraw/zinc/95/46/67/835954667.db2.gz UOLIHJKFEWXPSS-GJZGRUSLSA-N 1 3 334.464 0.496 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCn2cncn2)CC1 ZINC001267155806 836863897 /nfs/dbraw/zinc/86/38/97/836863897.db2.gz VSRGGTSXKJCQDT-HNNXBMFYSA-N 1 3 332.452 0.108 20 30 ECEDHO C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267191437 836953001 /nfs/dbraw/zinc/95/30/01/836953001.db2.gz VHOSMNYIBOOHLG-GDBMZVCRSA-N 1 3 338.496 0.846 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264306871 437018027 /nfs/dbraw/zinc/01/80/27/437018027.db2.gz TWKQKMXIRLHNCB-OAHLLOKOSA-N 1 3 329.448 0.964 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000339964676 437532847 /nfs/dbraw/zinc/53/28/47/437532847.db2.gz LEELWERLMLRXDE-UHFFFAOYSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000343739190 437642572 /nfs/dbraw/zinc/64/25/72/437642572.db2.gz LUEVEKGQWWFWCB-CZUORRHYSA-N 1 3 334.464 0.352 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343764515 437650274 /nfs/dbraw/zinc/65/02/74/437650274.db2.gz LUBZGAVDLNHHOQ-HOTGVXAUSA-N 1 3 336.480 0.742 20 30 ECEDHO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419690 437811307 /nfs/dbraw/zinc/81/13/07/437811307.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 1 3 335.496 0.895 20 30 ECEDHO N#Cc1cnn2cc(CNCCCC[N@H+]3CCC[C@@H]3CO)cnc12 ZINC000580075413 439061699 /nfs/dbraw/zinc/06/16/99/439061699.db2.gz LXXGDYNYLFEAEO-MRXNPFEDSA-N 1 3 328.420 0.927 20 30 ECEDHO N#Cc1cnn2cc(CNCCCC[N@@H+]3CCC[C@@H]3CO)cnc12 ZINC000580075413 439061705 /nfs/dbraw/zinc/06/17/05/439061705.db2.gz LXXGDYNYLFEAEO-MRXNPFEDSA-N 1 3 328.420 0.927 20 30 ECEDHO C=C(CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000620749647 546451329 /nfs/dbraw/zinc/45/13/29/546451329.db2.gz HXIDSTPAVDCQEF-HUUCEWRRSA-N 1 3 336.480 0.459 20 30 ECEDHO C=C(CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000620749647 546451332 /nfs/dbraw/zinc/45/13/32/546451332.db2.gz HXIDSTPAVDCQEF-HUUCEWRRSA-N 1 3 336.480 0.459 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846166799 589189777 /nfs/dbraw/zinc/18/97/77/589189777.db2.gz CUWHQPIKDZYCIJ-YESZJQIVSA-N 1 3 336.480 0.869 20 30 ECEDHO N#Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000873218934 590186828 /nfs/dbraw/zinc/18/68/28/590186828.db2.gz BAUQGGVSRMZTRI-QGZVFWFLSA-N 1 3 341.459 0.878 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCOC[C@@]2(COC)C[NH+](C)C)CC1 ZINC000876473224 590378921 /nfs/dbraw/zinc/37/89/21/590378921.db2.gz RPYNUPPLKSBBSB-SFHVURJKSA-N 1 3 337.464 0.137 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000876786717 590415994 /nfs/dbraw/zinc/41/59/94/590415994.db2.gz BMVJGYSJWIMFJZ-RDBSUJKOSA-N 1 3 342.871 0.563 20 30 ECEDHO C[NH+]=C(NCC1(N(C)C)CCOCC1)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000133473761 590704424 /nfs/dbraw/zinc/70/44/24/590704424.db2.gz UHUOHURGWGXUPD-HUUCEWRRSA-N 1 3 337.512 0.887 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000884614463 590872540 /nfs/dbraw/zinc/87/25/40/590872540.db2.gz NURXBODSZYEMBV-BZUAXINKSA-N 1 3 336.480 0.749 20 30 ECEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597732 611359207 /nfs/dbraw/zinc/35/92/07/611359207.db2.gz IAQTZPIANZBULW-XDNAFOTISA-N 1 3 331.460 0.653 20 30 ECEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597732 611359208 /nfs/dbraw/zinc/35/92/08/611359208.db2.gz IAQTZPIANZBULW-XDNAFOTISA-N 1 3 331.460 0.653 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911204095 609824631 /nfs/dbraw/zinc/82/46/31/609824631.db2.gz SPJFPMPZICOOMF-OAGGEKHMSA-N 1 3 336.480 0.525 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042883 731979216 /nfs/dbraw/zinc/97/92/16/731979216.db2.gz YKLOXIHRHLIASB-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042883 731979217 /nfs/dbraw/zinc/97/92/17/731979217.db2.gz YKLOXIHRHLIASB-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO CC[N@H+](C)CCC(=O)N1CCC(N(CC#CCOC)CCO)CC1 ZINC001098524330 732048593 /nfs/dbraw/zinc/04/85/93/732048593.db2.gz HSMCNUCOODXEEL-UHFFFAOYSA-N 1 3 339.480 0.263 20 30 ECEDHO CC[N@@H+](C)CCC(=O)N1CCC(N(CC#CCOC)CCO)CC1 ZINC001098524330 732048597 /nfs/dbraw/zinc/04/85/97/732048597.db2.gz HSMCNUCOODXEEL-UHFFFAOYSA-N 1 3 339.480 0.263 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232519 733076742 /nfs/dbraw/zinc/07/67/42/733076742.db2.gz FVCFTGPQOLOOLR-HOTGVXAUSA-N 1 3 348.491 0.342 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792529 733943532 /nfs/dbraw/zinc/94/35/32/733943532.db2.gz MVUSSJXLHFPBKO-SJORKVTESA-N 1 3 348.491 0.840 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211278158 734245382 /nfs/dbraw/zinc/24/53/82/734245382.db2.gz PYGPVMXUNLQYCO-HZPDHXFCSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001023128044 736523491 /nfs/dbraw/zinc/52/34/91/736523491.db2.gz NITPGQDQLRFFRM-CALCHBBNSA-N 1 3 346.475 0.191 20 30 ECEDHO Cn1nnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000262747790 737305487 /nfs/dbraw/zinc/30/54/87/737305487.db2.gz AXMPIPLJMRKIAO-UHFFFAOYSA-N 1 3 328.424 0.279 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326728 741809733 /nfs/dbraw/zinc/80/97/33/741809733.db2.gz DERIVDHWTCTCQO-AWEZNQCLSA-N 1 3 332.452 0.669 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326728 741809738 /nfs/dbraw/zinc/80/97/38/741809738.db2.gz DERIVDHWTCTCQO-AWEZNQCLSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822445 742217998 /nfs/dbraw/zinc/21/79/98/742217998.db2.gz BEDVOELXCIGFPA-BHEGOAEISA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822445 742218001 /nfs/dbraw/zinc/21/80/01/742218001.db2.gz BEDVOELXCIGFPA-BHEGOAEISA-N 1 3 331.460 0.700 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1=O ZINC000997000379 743111935 /nfs/dbraw/zinc/11/19/35/743111935.db2.gz PSWHXWAYJRLASM-NVXWUHKLSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)CC1 ZINC001000214427 745352666 /nfs/dbraw/zinc/35/26/66/745352666.db2.gz MWHMGJIQUYXVKL-URSIVYNOSA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909344 749560670 /nfs/dbraw/zinc/56/06/70/749560670.db2.gz LKRRVWXDTROIET-DOTOQJQBSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909344 749560673 /nfs/dbraw/zinc/56/06/73/749560673.db2.gz LKRRVWXDTROIET-DOTOQJQBSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000938097811 753257361 /nfs/dbraw/zinc/25/73/61/753257361.db2.gz YUGBGSCCNMFOEC-SJORKVTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000938097811 753257366 /nfs/dbraw/zinc/25/73/66/753257366.db2.gz YUGBGSCCNMFOEC-SJORKVTESA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778482 755084248 /nfs/dbraw/zinc/08/42/48/755084248.db2.gz IEXVLWCJGOGXQH-DOTOQJQBSA-N 1 3 348.491 0.553 20 30 ECEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944443 757481898 /nfs/dbraw/zinc/48/18/98/757481898.db2.gz YGVZTUCFKNOATE-FNYPPERVSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944443 757481902 /nfs/dbraw/zinc/48/19/02/757481902.db2.gz YGVZTUCFKNOATE-FNYPPERVSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001022711981 759026381 /nfs/dbraw/zinc/02/63/81/759026381.db2.gz HQOUPNMUUNEUDR-WCVJEAGWSA-N 1 3 334.464 0.494 20 30 ECEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107036445 759462838 /nfs/dbraw/zinc/46/28/38/759462838.db2.gz LLOJSMGFTUIYNS-BZUAXINKSA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042633 759504306 /nfs/dbraw/zinc/50/43/06/759504306.db2.gz WFZVHKAEWXFOHP-BZUAXINKSA-N 1 3 336.480 0.149 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)C1=O ZINC001054296446 767904635 /nfs/dbraw/zinc/90/46/35/767904635.db2.gz HNFXCCKXACRETM-BZUAXINKSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255597 768023032 /nfs/dbraw/zinc/02/30/32/768023032.db2.gz ZINGUNRRLGAKTN-HUUCEWRRSA-N 1 3 336.480 0.457 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001016330137 766127204 /nfs/dbraw/zinc/12/72/04/766127204.db2.gz DXLACUQRGAXIFW-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001016330137 766127207 /nfs/dbraw/zinc/12/72/07/766127207.db2.gz DXLACUQRGAXIFW-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031847 766703358 /nfs/dbraw/zinc/70/33/58/766703358.db2.gz AKOGVYDIFVLQTC-CEXWTWQISA-N 1 3 346.519 0.959 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031847 766703365 /nfs/dbraw/zinc/70/33/65/766703365.db2.gz AKOGVYDIFVLQTC-CEXWTWQISA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC2(C[C@@H]2NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001016870226 767069246 /nfs/dbraw/zinc/06/92/46/767069246.db2.gz PCOCFKJSGJTBQV-INIZCTEOSA-N 1 3 329.448 0.662 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076349 790523017 /nfs/dbraw/zinc/52/30/17/790523017.db2.gz MOIRAIIMKBACAK-XHSDSOJGSA-N 1 3 332.452 0.538 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076349 790523022 /nfs/dbraw/zinc/52/30/22/790523022.db2.gz MOIRAIIMKBACAK-XHSDSOJGSA-N 1 3 332.452 0.538 20 30 ECEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077816974 781751136 /nfs/dbraw/zinc/75/11/36/781751136.db2.gz GBAXMDOGMCJSGR-HZPDHXFCSA-N 1 3 335.452 0.186 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070332830 783841496 /nfs/dbraw/zinc/84/14/96/783841496.db2.gz XSNFXARNKQWTKP-IKGGRYGDSA-N 1 3 346.479 0.926 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689634 784556155 /nfs/dbraw/zinc/55/61/55/784556155.db2.gz ILYROYIRYLROEB-ARFHVFGLSA-N 1 3 329.448 0.422 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689634 784556161 /nfs/dbraw/zinc/55/61/61/784556161.db2.gz ILYROYIRYLROEB-ARFHVFGLSA-N 1 3 329.448 0.422 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+]CC(=O)N(CC)C2CC2)CC1 ZINC001267473164 837494923 /nfs/dbraw/zinc/49/49/23/837494923.db2.gz BZHBLRZGPQHLIQ-UHFFFAOYSA-N 1 3 348.491 0.391 20 30 ECEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266377533 835789699 /nfs/dbraw/zinc/78/96/99/835789699.db2.gz XWFINWCCWTWHBO-INIZCTEOSA-N 1 3 333.476 0.949 20 30 ECEDHO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001267002558 836596900 /nfs/dbraw/zinc/59/69/00/836596900.db2.gz OKDXWSJRGRZOAE-MRXNPFEDSA-N 1 3 338.496 0.847 20 30 ECEDHO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001267168834 836894367 /nfs/dbraw/zinc/89/43/67/836894367.db2.gz FXYJXFUBJHRXTR-INIZCTEOSA-N 1 3 348.491 0.581 20 30 ECEDHO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001267168834 836894376 /nfs/dbraw/zinc/89/43/76/836894376.db2.gz FXYJXFUBJHRXTR-INIZCTEOSA-N 1 3 348.491 0.581 20 30 ECEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267820516 838610190 /nfs/dbraw/zinc/61/01/90/838610190.db2.gz GIIHTVHBUIYOMO-HOTGVXAUSA-N 1 3 336.480 0.485 20 30 ECEDHO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001268039049 839127152 /nfs/dbraw/zinc/12/71/52/839127152.db2.gz YNMSNWMRRRCALH-MRXNPFEDSA-N 1 3 336.480 0.341 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419574185 277850021 /nfs/dbraw/zinc/85/00/21/277850021.db2.gz UDAUHOUEUJHYTL-HZPDHXFCSA-N 1 3 336.480 0.669 20 30 ECEDHO CN(C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133855997 436884829 /nfs/dbraw/zinc/88/48/29/436884829.db2.gz OREYSGQRFHGQCK-CYBMUJFWSA-N 1 3 325.457 0.819 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CCOCC1 ZINC000264123788 437016797 /nfs/dbraw/zinc/01/67/97/437016797.db2.gz VSVJMKJZAHYVQV-INIZCTEOSA-N 1 3 346.479 0.807 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419570396 438362273 /nfs/dbraw/zinc/36/22/73/438362273.db2.gz NJHWWSPYIQTCLX-CVEARBPZSA-N 1 3 336.480 0.751 20 30 ECEDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773561 439129705 /nfs/dbraw/zinc/12/97/05/439129705.db2.gz DPLNLCSMQQQAHX-ZWKOTPCHSA-N 1 3 347.459 0.980 20 30 ECEDHO C#CCNC(=O)CC[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000491543428 439402986 /nfs/dbraw/zinc/40/29/86/439402986.db2.gz GSCKOHLJYZDBAX-UHFFFAOYSA-N 1 3 329.444 0.872 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000491786531 439452031 /nfs/dbraw/zinc/45/20/31/439452031.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 1 3 337.512 0.513 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000491786531 439452036 /nfs/dbraw/zinc/45/20/36/439452036.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 1 3 337.512 0.513 20 30 ECEDHO CC(C)[NH+]1CCC(O)(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000563149450 322301240 /nfs/dbraw/zinc/30/12/40/322301240.db2.gz JYABRHRUOGCVAY-UHFFFAOYSA-N 1 3 328.420 0.926 20 30 ECEDHO C=C(CC[NH+](C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000900207252 586531269 /nfs/dbraw/zinc/53/12/69/586531269.db2.gz RQSRJSUIPVLCJH-UHFFFAOYSA-N 1 3 325.453 0.886 20 30 ECEDHO C=C(CN(C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)[C@H](C)[C@H]1C ZINC000856338759 589661175 /nfs/dbraw/zinc/66/11/75/589661175.db2.gz IEZKHCUOHBBFPU-HZPDHXFCSA-N 1 3 336.480 0.670 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242967 589884038 /nfs/dbraw/zinc/88/40/38/589884038.db2.gz CLMUSYMODYWXGS-JKSUJKDBSA-N 1 3 328.416 0.511 20 30 ECEDHO C#CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841130 609951234 /nfs/dbraw/zinc/95/12/34/609951234.db2.gz BFIDFCUEVBNXER-IAGOWNOFSA-N 1 3 334.464 0.589 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480670 734825586 /nfs/dbraw/zinc/82/55/86/734825586.db2.gz PSPJFOKLEUVINQ-OAHLLOKOSA-N 1 3 336.480 0.342 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)C3)C[C@H]2O)CC1 ZINC001078227420 782523345 /nfs/dbraw/zinc/52/33/45/782523345.db2.gz YXNVRZONHBKMIG-NANBGGJNSA-N 1 3 333.476 0.539 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2O)CC1 ZINC001078227420 782523355 /nfs/dbraw/zinc/52/33/55/782523355.db2.gz YXNVRZONHBKMIG-NANBGGJNSA-N 1 3 333.476 0.539 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)C[C@H]2O)CC1 ZINC001078227195 782523590 /nfs/dbraw/zinc/52/35/90/782523590.db2.gz NQHBMKFSCBZUSU-QZTJIDSGSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2O)CC1 ZINC001078227195 782523597 /nfs/dbraw/zinc/52/35/97/782523597.db2.gz NQHBMKFSCBZUSU-QZTJIDSGSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cnns3)C2)CC1 ZINC001027233599 743243806 /nfs/dbraw/zinc/24/38/06/743243806.db2.gz GHOSMHAOWOZYKK-AWEZNQCLSA-N 1 3 347.488 0.821 20 30 ECEDHO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261996408 743338134 /nfs/dbraw/zinc/33/81/34/743338134.db2.gz SNLBUUHTXXQUNQ-USXIJHARSA-N 1 3 334.512 0.024 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000999870670 744972705 /nfs/dbraw/zinc/97/27/05/744972705.db2.gz OUELSKLIGVOCKT-JCYILVPMSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)NCc2cn([C@@H]3CC[N@@H+](CC)C3)nn2)CC1 ZINC001000046879 745228143 /nfs/dbraw/zinc/22/81/43/745228143.db2.gz WZEUHIIYVRVQTI-QGZVFWFLSA-N 1 3 344.463 0.506 20 30 ECEDHO C#CCN1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CC)C3)nn2)CC1 ZINC001000046879 745228149 /nfs/dbraw/zinc/22/81/49/745228149.db2.gz WZEUHIIYVRVQTI-QGZVFWFLSA-N 1 3 344.463 0.506 20 30 ECEDHO CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@H](N2CCCCC2)C1 ZINC000262471581 747650959 /nfs/dbraw/zinc/65/09/59/747650959.db2.gz PBZMKIQPNFEYAF-AWEZNQCLSA-N 1 3 345.513 0.061 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000990276870 754931462 /nfs/dbraw/zinc/93/14/62/754931462.db2.gz KIALTURXORHZRV-CVEARBPZSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627826 755087542 /nfs/dbraw/zinc/08/75/42/755087542.db2.gz NSUIZFSQPBCNED-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627826 755087547 /nfs/dbraw/zinc/08/75/47/755087547.db2.gz NSUIZFSQPBCNED-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254976 766606415 /nfs/dbraw/zinc/60/64/15/766606415.db2.gz GZQCZRBQHBTJQA-HZPDHXFCSA-N 1 3 349.479 0.329 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254976 766606421 /nfs/dbraw/zinc/60/64/21/766606421.db2.gz GZQCZRBQHBTJQA-HZPDHXFCSA-N 1 3 349.479 0.329 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026031 766681047 /nfs/dbraw/zinc/68/10/47/766681047.db2.gz BEIZHJIZTRTWTQ-MOPGFXCFSA-N 1 3 344.503 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069796 766870523 /nfs/dbraw/zinc/87/05/23/766870523.db2.gz JADFLBBQRDIPSR-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075919 766900287 /nfs/dbraw/zinc/90/02/87/766900287.db2.gz IHNNSQLLQFUYIZ-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075919 766900296 /nfs/dbraw/zinc/90/02/96/766900296.db2.gz IHNNSQLLQFUYIZ-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO C=CCCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295238 767179867 /nfs/dbraw/zinc/17/98/67/767179867.db2.gz CJZOQHLJBKWITQ-IAGOWNOFSA-N 1 3 349.479 0.840 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480073 771315119 /nfs/dbraw/zinc/31/51/19/771315119.db2.gz IAQAOLYBUHUIRJ-INIZCTEOSA-N 1 3 334.464 0.235 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001019814100 771829218 /nfs/dbraw/zinc/82/92/18/771829218.db2.gz SIBZMEXOHTUTIW-KRWDZBQOSA-N 1 3 346.475 0.145 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070208862 783660147 /nfs/dbraw/zinc/66/01/47/783660147.db2.gz ARVUNQKEHJQAKA-CABCVRRESA-N 1 3 332.452 0.680 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070682195 784545373 /nfs/dbraw/zinc/54/53/73/784545373.db2.gz OZORBDXVSWSCQW-MWDXBVQZSA-N 1 3 343.475 0.668 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070682195 784545379 /nfs/dbraw/zinc/54/53/79/784545379.db2.gz OZORBDXVSWSCQW-MWDXBVQZSA-N 1 3 343.475 0.668 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070685490 784550491 /nfs/dbraw/zinc/55/04/91/784550491.db2.gz DXKDXKSKNMIMDM-HZPDHXFCSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCF)CCCO2)CC1 ZINC001073899061 787474478 /nfs/dbraw/zinc/47/44/78/787474478.db2.gz KCEOXRZNMWZIDK-QGZVFWFLSA-N 1 3 339.455 0.898 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCF)CCCO2)CC1 ZINC001073899061 787474485 /nfs/dbraw/zinc/47/44/85/787474485.db2.gz KCEOXRZNMWZIDK-QGZVFWFLSA-N 1 3 339.455 0.898 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075044555 788789781 /nfs/dbraw/zinc/78/97/81/788789781.db2.gz XJVWOBCDCXLGPF-HRCADAONSA-N 1 3 346.475 0.448 20 30 ECEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC001069840737 790075255 /nfs/dbraw/zinc/07/52/55/790075255.db2.gz MQUIIRASPHIXEW-RDJZCZTQSA-N 1 3 341.459 0.451 20 30 ECEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840737 790075262 /nfs/dbraw/zinc/07/52/62/790075262.db2.gz MQUIIRASPHIXEW-RDJZCZTQSA-N 1 3 341.459 0.451 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267488114 837552972 /nfs/dbraw/zinc/55/29/72/837552972.db2.gz YNQRSPDNXAXRQU-OAHLLOKOSA-N 1 3 348.491 0.437 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001266567678 835997236 /nfs/dbraw/zinc/99/72/36/835997236.db2.gz NWBQEQKQZDTLTM-YOEHRIQHSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NCCC)C2)CC1 ZINC001266640526 836077055 /nfs/dbraw/zinc/07/70/55/836077055.db2.gz XCJYVDIBHUUEMU-DJIMGWMZSA-N 1 3 348.491 0.483 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267374065 837279911 /nfs/dbraw/zinc/27/99/11/837279911.db2.gz UOYGQYQXVNUMDQ-MRXNPFEDSA-N 1 3 349.479 0.138 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H](CC)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267811105 838593035 /nfs/dbraw/zinc/59/30/35/838593035.db2.gz PNWXRRWIOFEEHW-HZPDHXFCSA-N 1 3 348.491 0.886 20 30 ECEDHO CN(CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)C1CCC1 ZINC001267838337 838633332 /nfs/dbraw/zinc/63/33/32/838633332.db2.gz DLUONXBNIZQSHN-UHFFFAOYSA-N 1 3 335.452 0.129 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267962319 838876536 /nfs/dbraw/zinc/87/65/36/838876536.db2.gz CDOMUAZJODVLEB-VVLHAWIVSA-N 1 3 348.491 0.435 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267962319 838876548 /nfs/dbraw/zinc/87/65/48/838876548.db2.gz CDOMUAZJODVLEB-VVLHAWIVSA-N 1 3 348.491 0.435 20 30 ECEDHO COc1ccccc1CNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000170906951 436960100 /nfs/dbraw/zinc/96/01/00/436960100.db2.gz DNPJPEQMCKZPDK-HNNXBMFYSA-N 1 3 333.480 0.983 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000340503465 437674745 /nfs/dbraw/zinc/67/47/45/437674745.db2.gz HEBKJAVAPMUVLH-UHFFFAOYSA-N 1 3 348.491 0.744 20 30 ECEDHO CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C#N ZINC000364223473 437812800 /nfs/dbraw/zinc/81/28/00/437812800.db2.gz SKEISRNFTZFEFA-QGZVFWFLSA-N 1 3 348.495 0.394 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C(C)C ZINC000419571698 438361876 /nfs/dbraw/zinc/36/18/76/438361876.db2.gz PFEUJPHZEBKKNL-HZPDHXFCSA-N 1 3 336.480 0.751 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C(C)C ZINC000419568861 438362173 /nfs/dbraw/zinc/36/21/73/438362173.db2.gz LKJUHWKFIXCVAT-MRXNPFEDSA-N 1 3 336.480 0.751 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000419574184 438362861 /nfs/dbraw/zinc/36/28/61/438362861.db2.gz UDAUHOUEUJHYTL-HOTGVXAUSA-N 1 3 336.480 0.669 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419733936 438369981 /nfs/dbraw/zinc/36/99/81/438369981.db2.gz UOMQUSFUXJPPJR-KRWDZBQOSA-N 1 3 344.459 0.959 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656310606 440759620 /nfs/dbraw/zinc/75/96/20/440759620.db2.gz BEEDXIBTBWZTLW-FZNQNYSPSA-N 1 3 336.480 0.600 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793720212 578937592 /nfs/dbraw/zinc/93/75/92/578937592.db2.gz QHQUHPNOAMUMPT-OAHLLOKOSA-N 1 3 336.480 0.744 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)C1CC[NH+](C)CC1 ZINC000929955342 611371393 /nfs/dbraw/zinc/37/13/93/611371393.db2.gz OCYCLLYBTIJFNQ-KRWDZBQOSA-N 1 3 348.491 0.533 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC000930007432 611379707 /nfs/dbraw/zinc/37/97/07/611379707.db2.gz QNJBRJSXSOMFEZ-KDOFPFPSSA-N 1 3 334.464 0.163 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000930007432 611379708 /nfs/dbraw/zinc/37/97/08/611379708.db2.gz QNJBRJSXSOMFEZ-KDOFPFPSSA-N 1 3 334.464 0.163 20 30 ECEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NCCOC)cc2)CC1 ZINC000161512578 608860353 /nfs/dbraw/zinc/86/03/53/608860353.db2.gz FFSZEPIOZIHLRD-UHFFFAOYSA-N 1 3 333.480 0.875 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911236860 609829825 /nfs/dbraw/zinc/82/98/25/609829825.db2.gz VCHXMGLJTCMFEB-KSSFIOAISA-N 1 3 334.464 0.483 20 30 ECEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000917140158 609962988 /nfs/dbraw/zinc/96/29/88/609962988.db2.gz KRSYAPWEAKNKIK-AWEZNQCLSA-N 1 3 327.436 0.717 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566324 610386516 /nfs/dbraw/zinc/38/65/16/610386516.db2.gz BNMBYFIYHUQHNJ-WMZOPIPTSA-N 1 3 334.508 0.979 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566324 610386518 /nfs/dbraw/zinc/38/65/18/610386518.db2.gz BNMBYFIYHUQHNJ-WMZOPIPTSA-N 1 3 334.508 0.979 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000929565172 611765323 /nfs/dbraw/zinc/76/53/23/611765323.db2.gz QEIQAJLTSFNOSM-INIZCTEOSA-N 1 3 348.491 0.391 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC000970333864 733376450 /nfs/dbraw/zinc/37/64/50/733376450.db2.gz BHCYFKLHDXAFBH-SJORKVTESA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001023130953 736526631 /nfs/dbraw/zinc/52/66/31/736526631.db2.gz OUWTVPQQWXAPBD-YVSFHVDLSA-N 1 3 348.491 0.885 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926513 /nfs/dbraw/zinc/92/65/13/736926513.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 1 3 331.460 0.701 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926515 /nfs/dbraw/zinc/92/65/15/736926515.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679174 739462154 /nfs/dbraw/zinc/46/21/54/739462154.db2.gz HDMOGJLVLWVTOP-BRWVUGGUSA-N 1 3 348.491 0.152 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000999870672 744972694 /nfs/dbraw/zinc/97/26/94/744972694.db2.gz OUELSKLIGVOCKT-OFLPRAFFSA-N 1 3 346.475 0.189 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079852 745248465 /nfs/dbraw/zinc/24/84/65/745248465.db2.gz BXVJUTPBTNUGKQ-DLBZAZTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001000994563 745959474 /nfs/dbraw/zinc/95/94/74/745959474.db2.gz VRUGSLGVKJGTKH-SJORKVTESA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC000982384224 752082459 /nfs/dbraw/zinc/08/24/59/752082459.db2.gz CSIOLMCETOEGPF-URVUZCHPSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC000982384224 752082467 /nfs/dbraw/zinc/08/24/67/752082467.db2.gz CSIOLMCETOEGPF-URVUZCHPSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001088350312 748871725 /nfs/dbraw/zinc/87/17/25/748871725.db2.gz UJJFGNNXEDUVGL-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccnn3C)[C@@H]2C)CC1 ZINC000987574738 750977151 /nfs/dbraw/zinc/97/71/51/750977151.db2.gz GTVTYWHEVDTMPW-MAUKXSAKSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001021090153 752530273 /nfs/dbraw/zinc/53/02/73/752530273.db2.gz NITPGQDQLRFFRM-QAQDUYKDSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001021090181 752530710 /nfs/dbraw/zinc/53/07/10/752530710.db2.gz OCPIHLGUMLMLLN-QAQDUYKDSA-N 1 3 329.448 0.465 20 30 ECEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105656814 755207409 /nfs/dbraw/zinc/20/74/09/755207409.db2.gz UEYXKWZXHSKOFK-RWQQGDIJSA-N 1 3 344.459 0.942 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1=O ZINC000996677579 758447580 /nfs/dbraw/zinc/44/75/80/758447580.db2.gz LGNXMZMGYBQGOQ-SJORKVTESA-N 1 3 348.491 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338155 766146465 /nfs/dbraw/zinc/14/64/65/766146465.db2.gz XHMUMDSGUYXHDC-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338155 766146469 /nfs/dbraw/zinc/14/64/69/766146469.db2.gz XHMUMDSGUYXHDC-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001046028613 766691053 /nfs/dbraw/zinc/69/10/53/766691053.db2.gz CYHFWBFMCVIWCV-ROUUACIJSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028613 766691058 /nfs/dbraw/zinc/69/10/58/766691058.db2.gz CYHFWBFMCVIWCV-ROUUACIJSA-N 1 3 332.492 0.711 20 30 ECEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016740840 766826802 /nfs/dbraw/zinc/82/68/02/766826802.db2.gz PKBQQTXOVWFOBB-RXCRORICSA-N 1 3 343.471 0.844 20 30 ECEDHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741503 766829069 /nfs/dbraw/zinc/82/90/69/766829069.db2.gz YEPURBYMIDPPOF-RXCRORICSA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC000993851245 769753985 /nfs/dbraw/zinc/75/39/85/769753985.db2.gz BSPQBFALJCVLOD-KRWDZBQOSA-N 1 3 348.491 0.245 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560843 771491446 /nfs/dbraw/zinc/49/14/46/771491446.db2.gz IKKUXUALZCCNJO-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560843 771491448 /nfs/dbraw/zinc/49/14/48/771491448.db2.gz IKKUXUALZCCNJO-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815777 771830944 /nfs/dbraw/zinc/83/09/44/771830944.db2.gz MVUSSJXLHFPBKO-DLBZAZTESA-N 1 3 348.491 0.840 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1=O ZINC001045070305 774930749 /nfs/dbraw/zinc/93/07/49/774930749.db2.gz BXXBQEUQGQBFQQ-IRXDYDNUSA-N 1 3 348.491 0.838 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015218 790329375 /nfs/dbraw/zinc/32/93/75/790329375.db2.gz LBUNYRYNLWMJIZ-SJORKVTESA-N 1 3 346.479 0.928 20 30 ECEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489216 781619135 /nfs/dbraw/zinc/61/91/35/781619135.db2.gz QKULWBRFVYRMSE-BDFRZKONSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489216 781619143 /nfs/dbraw/zinc/61/91/43/781619143.db2.gz QKULWBRFVYRMSE-BDFRZKONSA-N 1 3 331.460 0.960 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070213874 783670925 /nfs/dbraw/zinc/67/09/25/783670925.db2.gz ZMBXXIBGLZNRNS-PMPSAXMXSA-N 1 3 334.468 0.782 20 30 ECEDHO CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741271 787097904 /nfs/dbraw/zinc/09/79/04/787097904.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 1 3 337.464 0.326 20 30 ECEDHO CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741271 787097912 /nfs/dbraw/zinc/09/79/12/787097912.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 1 3 337.464 0.326 20 30 ECEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815935 787250815 /nfs/dbraw/zinc/25/08/15/787250815.db2.gz PNWZICLSCQGLRM-KRWDZBQOSA-N 1 3 349.479 0.842 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266620390 836058118 /nfs/dbraw/zinc/05/81/18/836058118.db2.gz VOQCBJJSMMFNBM-KKUMJFAQSA-N 1 3 338.496 0.892 20 30 ECEDHO CN1CCN(CCNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1(C)C ZINC000331299938 289386053 /nfs/dbraw/zinc/38/60/53/289386053.db2.gz OYODYGUBZZBQDA-CABCVRRESA-N 1 3 325.501 0.999 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000343735968 437641305 /nfs/dbraw/zinc/64/13/05/437641305.db2.gz HCWIKBMVURWCAW-HNNXBMFYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000343735968 437641310 /nfs/dbraw/zinc/64/13/10/437641310.db2.gz HCWIKBMVURWCAW-HNNXBMFYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000343772389 437654355 /nfs/dbraw/zinc/65/43/55/437654355.db2.gz WPRGVZBXSUGZDG-UHFFFAOYSA-N 1 3 338.496 0.943 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000343933391 437700328 /nfs/dbraw/zinc/70/03/28/437700328.db2.gz ZPUNPLCIAQBNRB-MRXNPFEDSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000417063541 438018142 /nfs/dbraw/zinc/01/81/42/438018142.db2.gz NUAXFQKKBCBSQX-DLBZAZTESA-N 1 3 337.512 0.888 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000490672287 439285436 /nfs/dbraw/zinc/28/54/36/439285436.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 1 3 334.508 0.816 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000490672287 439285439 /nfs/dbraw/zinc/28/54/39/439285439.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 1 3 334.508 0.816 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000583118568 439421279 /nfs/dbraw/zinc/42/12/79/439421279.db2.gz YGFYPGTXKYGSRP-UHFFFAOYSA-N 1 3 345.447 0.240 20 30 ECEDHO N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC000884021842 590706918 /nfs/dbraw/zinc/70/69/18/590706918.db2.gz NYMSAAAZNXJILE-FVRSWCFKSA-N 1 3 340.431 0.569 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236858 609829869 /nfs/dbraw/zinc/82/98/69/609829869.db2.gz VCHXMGLJTCMFEB-KBXCAEBGSA-N 1 3 334.464 0.483 20 30 ECEDHO CC#CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516604 610881681 /nfs/dbraw/zinc/88/16/81/610881681.db2.gz MHNZQCITPYVKQS-RDJZCZTQSA-N 1 3 331.464 0.908 20 30 ECEDHO COCC#CC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561432 735505468 /nfs/dbraw/zinc/50/54/68/735505468.db2.gz CIBSWOOKCUOGSN-UHFFFAOYSA-N 1 3 337.464 0.017 20 30 ECEDHO COCC#CC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561432 735505470 /nfs/dbraw/zinc/50/54/70/735505470.db2.gz CIBSWOOKCUOGSN-UHFFFAOYSA-N 1 3 337.464 0.017 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480481 734821206 /nfs/dbraw/zinc/82/12/06/734821206.db2.gz HMPRXLUSKWJQOR-HNNXBMFYSA-N 1 3 338.496 0.895 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318029 738289400 /nfs/dbraw/zinc/28/94/00/738289400.db2.gz PYAYNFGOYHFUJC-RCCFBDPRSA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318029 738289401 /nfs/dbraw/zinc/28/94/01/738289401.db2.gz PYAYNFGOYHFUJC-RCCFBDPRSA-N 1 3 347.503 0.929 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1=O ZINC000997006388 743119620 /nfs/dbraw/zinc/11/96/20/743119620.db2.gz LXCOBIXSGDXQGI-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020586181 751845658 /nfs/dbraw/zinc/84/56/58/751845658.db2.gz HQOUPNMUUNEUDR-FPCVCCKLSA-N 1 3 334.464 0.494 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC000999846724 744939217 /nfs/dbraw/zinc/93/92/17/744939217.db2.gz FWIBNLPEIWSSOZ-HNNXBMFYSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC000999846724 744939221 /nfs/dbraw/zinc/93/92/21/744939221.db2.gz FWIBNLPEIWSSOZ-HNNXBMFYSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995253 745154550 /nfs/dbraw/zinc/15/45/50/745154550.db2.gz FUGBOXWKRQLYGX-HZPDHXFCSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995253 745154552 /nfs/dbraw/zinc/15/45/52/745154552.db2.gz FUGBOXWKRQLYGX-HZPDHXFCSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001000993684 745958928 /nfs/dbraw/zinc/95/89/28/745958928.db2.gz RQWQLVYRZMFYME-GOSISDBHSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001000994556 745959617 /nfs/dbraw/zinc/95/96/17/745959617.db2.gz VRUGSLGVKJGTKH-IRXDYDNUSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001000994768 745960317 /nfs/dbraw/zinc/96/03/17/745960317.db2.gz WVUMCPCVDJXWLP-SJORKVTESA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)c3)[C@H]2C)CC1 ZINC000987579041 750981316 /nfs/dbraw/zinc/98/13/16/750981316.db2.gz ZPYANLKPIIDDJT-CRAIPNDOSA-N 1 3 343.475 0.844 20 30 ECEDHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168344921 754760484 /nfs/dbraw/zinc/76/04/84/754760484.db2.gz FKPVMLMYPIFPNK-HNNXBMFYSA-N 1 3 349.479 0.377 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105669296 755671121 /nfs/dbraw/zinc/67/11/21/755671121.db2.gz QQBQZIMJFKEZLT-RWQQGDIJSA-N 1 3 335.492 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001076589859 756697056 /nfs/dbraw/zinc/69/70/56/756697056.db2.gz QIULSEJCZVDSKS-RDJZCZTQSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001076589859 756697058 /nfs/dbraw/zinc/69/70/58/756697058.db2.gz QIULSEJCZVDSKS-RDJZCZTQSA-N 1 3 348.491 0.294 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001049065474 757856608 /nfs/dbraw/zinc/85/66/08/757856608.db2.gz TWDJYTDELDCNOM-VVLHAWIVSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001049065474 757856622 /nfs/dbraw/zinc/85/66/22/757856622.db2.gz TWDJYTDELDCNOM-VVLHAWIVSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050232516 760005170 /nfs/dbraw/zinc/00/51/70/760005170.db2.gz CLWDTZXYDGZUAX-HOCLYGCPSA-N 1 3 345.447 0.567 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050232517 760005355 /nfs/dbraw/zinc/00/53/55/760005355.db2.gz CLWDTZXYDGZUAX-ZBFHGGJFSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679596 766444610 /nfs/dbraw/zinc/44/46/10/766444610.db2.gz YUMUICXIIJVCNA-MSOLQXFVSA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035077 766717412 /nfs/dbraw/zinc/71/74/12/766717412.db2.gz CWJAJTWDFCURQB-ZWKOTPCHSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035077 766717421 /nfs/dbraw/zinc/71/74/21/766717421.db2.gz CWJAJTWDFCURQB-ZWKOTPCHSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCO)CC3)CC1 ZINC000992512441 766750262 /nfs/dbraw/zinc/75/02/62/766750262.db2.gz SIKXRKHKQRCRAD-HKUYNNGSSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512441 766750266 /nfs/dbraw/zinc/75/02/66/766750266.db2.gz SIKXRKHKQRCRAD-HKUYNNGSSA-N 1 3 333.476 0.827 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046059460 766823094 /nfs/dbraw/zinc/82/30/94/766823094.db2.gz HTIAWWJGQCIXEF-QZTJIDSGSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001046074827 766890792 /nfs/dbraw/zinc/89/07/92/766890792.db2.gz HYZFSQOPDLKIEC-IBGZPJMESA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907946 767104976 /nfs/dbraw/zinc/10/49/76/767104976.db2.gz JRIRWNJZRQZJAS-OWCLPIDISA-N 1 3 336.480 0.150 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106667866 768583279 /nfs/dbraw/zinc/58/32/79/768583279.db2.gz AGTWQKVNUPLXFV-HZPDHXFCSA-N 1 3 348.491 0.152 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC001019815181 771830448 /nfs/dbraw/zinc/83/04/48/771830448.db2.gz BIWSEHLGGWTLPR-IRXDYDNUSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001045276249 775299001 /nfs/dbraw/zinc/29/90/01/775299001.db2.gz FGBVPJVIOXZGME-JKSUJKDBSA-N 1 3 346.475 0.450 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270205 780946224 /nfs/dbraw/zinc/94/62/24/780946224.db2.gz GVRDIFZNQODYKH-FGTMMUONSA-N 1 3 345.487 0.901 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270205 780946231 /nfs/dbraw/zinc/94/62/31/780946231.db2.gz GVRDIFZNQODYKH-FGTMMUONSA-N 1 3 345.487 0.901 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489278 781618634 /nfs/dbraw/zinc/61/86/34/781618634.db2.gz SHEXQPYETFQGPN-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489278 781618639 /nfs/dbraw/zinc/61/86/39/781618639.db2.gz SHEXQPYETFQGPN-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273926 783778033 /nfs/dbraw/zinc/77/80/33/783778033.db2.gz KWFJCLMDEWUYBX-OAGGEKHMSA-N 1 3 332.452 0.680 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629335 784460328 /nfs/dbraw/zinc/46/03/28/784460328.db2.gz GCJVNIJWOACMBL-OAGGEKHMSA-N 1 3 331.464 0.974 20 30 ECEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700668 786999974 /nfs/dbraw/zinc/99/99/74/786999974.db2.gz SXJXGIPYAXECHK-DHADLLTHSA-N 1 3 349.475 0.633 20 30 ECEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700668 786999980 /nfs/dbraw/zinc/99/99/80/786999980.db2.gz SXJXGIPYAXECHK-DHADLLTHSA-N 1 3 349.475 0.633 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)C1=O ZINC001074687839 787599246 /nfs/dbraw/zinc/59/92/46/787599246.db2.gz WZTFOVZEXQLYKD-XIRDDKMYSA-N 1 3 348.491 0.837 20 30 ECEDHO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075394696 789321294 /nfs/dbraw/zinc/32/12/94/789321294.db2.gz FZHBGDFLGLDWDR-DOTOQJQBSA-N 1 3 330.432 0.961 20 30 ECEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001266731095 836210918 /nfs/dbraw/zinc/21/09/18/836210918.db2.gz QXFSGNSRXHTIKW-HZPDHXFCSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001266731095 836210922 /nfs/dbraw/zinc/21/09/22/836210922.db2.gz QXFSGNSRXHTIKW-HZPDHXFCSA-N 1 3 336.480 0.696 20 30 ECEDHO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001267002557 836596964 /nfs/dbraw/zinc/59/69/64/836596964.db2.gz OKDXWSJRGRZOAE-INIZCTEOSA-N 1 3 338.496 0.847 20 30 ECEDHO C=CCNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001267837250 838631103 /nfs/dbraw/zinc/63/11/03/838631103.db2.gz JROGVZUBGMRTEV-HUUCEWRRSA-N 1 3 336.480 0.647 20 30 ECEDHO C=CCNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001267837250 838631105 /nfs/dbraw/zinc/63/11/05/838631105.db2.gz JROGVZUBGMRTEV-HUUCEWRRSA-N 1 3 336.480 0.647 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000264082272 437015615 /nfs/dbraw/zinc/01/56/15/437015615.db2.gz HSMVTIKKVRUVSU-ZDUSSCGKSA-N 1 3 335.427 0.944 20 30 ECEDHO COC[C@@H](C)NC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000264096023 437017702 /nfs/dbraw/zinc/01/77/02/437017702.db2.gz MSPDRXWLOBJUJG-OAHLLOKOSA-N 1 3 334.468 0.533 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264074086 437014931 /nfs/dbraw/zinc/01/49/31/437014931.db2.gz GWPRLKNMHBMLEW-INIZCTEOSA-N 1 3 346.479 0.807 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343762959 437649869 /nfs/dbraw/zinc/64/98/69/437649869.db2.gz JDTUXFSLIHWJFU-HOCLYGCPSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343762959 437649875 /nfs/dbraw/zinc/64/98/75/437649875.db2.gz JDTUXFSLIHWJFU-HOCLYGCPSA-N 1 3 336.480 0.694 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419727542 438370456 /nfs/dbraw/zinc/37/04/56/438370456.db2.gz LQXMTGNBDAVEBI-GDBMZVCRSA-N 1 3 336.480 0.729 20 30 ECEDHO CC1CC[NH+](C[C@@H](O)CNC[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498631 439148281 /nfs/dbraw/zinc/14/82/81/439148281.db2.gz HWMDUAFDYJJHKO-HOCLYGCPSA-N 1 3 332.452 0.479 20 30 ECEDHO CN(CCC#N)C[C@H](O)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000581998183 439276440 /nfs/dbraw/zinc/27/64/40/439276440.db2.gz YSDNCCWCYQMCEZ-GOSISDBHSA-N 1 3 337.512 0.341 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000491677265 439425643 /nfs/dbraw/zinc/42/56/43/439425643.db2.gz XYGABNZTZPQNKG-UHFFFAOYSA-N 1 3 349.523 0.799 20 30 ECEDHO CN1CCN(CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600715232 439694061 /nfs/dbraw/zinc/69/40/61/439694061.db2.gz AJWNWKWEBNJNNL-SFHVURJKSA-N 1 3 346.475 0.915 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000671376655 548131708 /nfs/dbraw/zinc/13/17/08/548131708.db2.gz JVKZNXDMYKARLV-UHFFFAOYSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669116 586963642 /nfs/dbraw/zinc/96/36/42/586963642.db2.gz QGQDMNSWDXBBFZ-UHFFFAOYSA-N 1 3 330.432 0.890 20 30 ECEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752120 590408672 /nfs/dbraw/zinc/40/86/72/590408672.db2.gz GXZAGKCHWMVSOP-CYBMUJFWSA-N 1 3 328.844 0.223 20 30 ECEDHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886059848 590788911 /nfs/dbraw/zinc/78/89/11/590788911.db2.gz MSQKSCSMYUFYTB-INIZCTEOSA-N 1 3 336.480 0.821 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364721 591152275 /nfs/dbraw/zinc/15/22/75/591152275.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 1 3 337.512 0.609 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566321 610386117 /nfs/dbraw/zinc/38/61/17/610386117.db2.gz BNMBYFIYHUQHNJ-AEFFLSMTSA-N 1 3 334.508 0.979 20 30 ECEDHO C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566321 610386120 /nfs/dbraw/zinc/38/61/20/610386120.db2.gz BNMBYFIYHUQHNJ-AEFFLSMTSA-N 1 3 334.508 0.979 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815129 732404696 /nfs/dbraw/zinc/40/46/96/732404696.db2.gz RRVIHHAWQPYTLM-HZPDHXFCSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN1CC[C@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934274 742902981 /nfs/dbraw/zinc/90/29/81/742902981.db2.gz XWJACZHJLFSPAT-CVEARBPZSA-N 1 3 346.475 0.307 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1=O ZINC000997000376 743111943 /nfs/dbraw/zinc/11/19/43/743111943.db2.gz PSWHXWAYJRLASM-DOTOQJQBSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003507 743159236 /nfs/dbraw/zinc/15/92/36/743159236.db2.gz MUBPNDXHMWGMFN-IAGOWNOFSA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003507 743159238 /nfs/dbraw/zinc/15/92/38/743159238.db2.gz MUBPNDXHMWGMFN-IAGOWNOFSA-N 1 3 333.476 0.806 20 30 ECEDHO CC#CCN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969950 746763000 /nfs/dbraw/zinc/76/30/00/746763000.db2.gz WSRDRSJSNLVKND-SJORKVTESA-N 1 3 343.475 0.862 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC000979085035 747150833 /nfs/dbraw/zinc/15/08/33/747150833.db2.gz DXGQOAFYYGRIRH-LEUOFYLZSA-N 1 3 333.476 0.661 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC000979085035 747150835 /nfs/dbraw/zinc/15/08/35/747150835.db2.gz DXGQOAFYYGRIRH-LEUOFYLZSA-N 1 3 333.476 0.661 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332625 747723577 /nfs/dbraw/zinc/72/35/77/747723577.db2.gz RAEKDKARQZNEDN-IAGOWNOFSA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332625 747723581 /nfs/dbraw/zinc/72/35/81/747723581.db2.gz RAEKDKARQZNEDN-IAGOWNOFSA-N 1 3 348.491 0.790 20 30 ECEDHO Cn1cnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000262673093 749256855 /nfs/dbraw/zinc/25/68/55/749256855.db2.gz SAQVVWQGADWRIQ-UHFFFAOYSA-N 1 3 327.436 0.884 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)CC1 ZINC001032207394 759642679 /nfs/dbraw/zinc/64/26/79/759642679.db2.gz PCWPFKXVWQHJMQ-INIZCTEOSA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246863 768011409 /nfs/dbraw/zinc/01/14/09/768011409.db2.gz SNJUDTMHXMFUQI-BZUAXINKSA-N 1 3 348.491 0.293 20 30 ECEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345236 768352647 /nfs/dbraw/zinc/35/26/47/768352647.db2.gz ZPSGPVGRFNIVEE-HNNXBMFYSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345236 768352653 /nfs/dbraw/zinc/35/26/53/768352653.db2.gz ZPSGPVGRFNIVEE-HNNXBMFYSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054639 766802624 /nfs/dbraw/zinc/80/26/24/766802624.db2.gz BAIKWWCUIREPRK-RTBURBONSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054639 766802635 /nfs/dbraw/zinc/80/26/35/766802635.db2.gz BAIKWWCUIREPRK-RTBURBONSA-N 1 3 346.519 0.960 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077257 766905898 /nfs/dbraw/zinc/90/58/98/766905898.db2.gz UEBHFVYJLVNQEH-KRWDZBQOSA-N 1 3 330.476 0.324 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325267 771158616 /nfs/dbraw/zinc/15/86/16/771158616.db2.gz RRVIHHAWQPYTLM-HOTGVXAUSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001070305466 783811513 /nfs/dbraw/zinc/81/15/13/783811513.db2.gz ZJMHRQVOJDSONX-SJORKVTESA-N 1 3 346.479 0.926 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001070648941 784495452 /nfs/dbraw/zinc/49/54/52/784495452.db2.gz FPYQDMBJEWVOKE-YLFCFFPRSA-N 1 3 343.475 0.668 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001070648941 784495456 /nfs/dbraw/zinc/49/54/56/784495456.db2.gz FPYQDMBJEWVOKE-YLFCFFPRSA-N 1 3 343.475 0.668 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001070655213 784506545 /nfs/dbraw/zinc/50/65/45/784506545.db2.gz ADWIDUIOSUUIBT-INMHGKMJSA-N 1 3 331.464 0.830 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075394699 789321893 /nfs/dbraw/zinc/32/18/93/789321893.db2.gz FZHBGDFLGLDWDR-WBVHZDCISA-N 1 3 330.432 0.961 20 30 ECEDHO C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267012603 836614052 /nfs/dbraw/zinc/61/40/52/836614052.db2.gz VJYLRSFWNGVEJD-HOTGVXAUSA-N 1 3 346.475 0.191 20 30 ECEDHO [NH2+]=C(NCC(=O)NCCN1CCCCCC1)N1CCSCC1 ZINC000262624620 295005676 /nfs/dbraw/zinc/00/56/76/295005676.db2.gz AXMPAGOUYKPHBP-UHFFFAOYSA-N 1 3 327.498 0.342 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262129916 436909194 /nfs/dbraw/zinc/90/91/94/436909194.db2.gz KPCKSLHWNXCCJY-UONOGXRCSA-N 1 3 326.441 0.297 20 30 ECEDHO C[C@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306199 437918230 /nfs/dbraw/zinc/91/82/30/437918230.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 1 3 335.496 0.847 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000419576404 438363180 /nfs/dbraw/zinc/36/31/80/438363180.db2.gz XLWQGKYFYTZRNJ-ZACQAIPSSA-N 1 3 348.491 0.622 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000359261595 438396848 /nfs/dbraw/zinc/39/68/48/438396848.db2.gz FSCPKIFSDSCWAE-HNNXBMFYSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359261595 438396852 /nfs/dbraw/zinc/39/68/52/438396852.db2.gz FSCPKIFSDSCWAE-HNNXBMFYSA-N 1 3 338.496 0.990 20 30 ECEDHO C#CCNC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000491047820 439325347 /nfs/dbraw/zinc/32/53/47/439325347.db2.gz VYLMBEBFJBGFRF-UHFFFAOYSA-N 1 3 334.508 0.864 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)CC1 ZINC000569589313 439347177 /nfs/dbraw/zinc/34/71/77/439347177.db2.gz HHALDINDVJSZGX-UHFFFAOYSA-N 1 3 334.464 0.670 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)CC1 ZINC000584419594 439588928 /nfs/dbraw/zinc/58/89/28/439588928.db2.gz KNPFTNIEIWMQPO-QGZVFWFLSA-N 1 3 334.464 0.934 20 30 ECEDHO C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000662744371 439866245 /nfs/dbraw/zinc/86/62/45/439866245.db2.gz FWGDQIQNJKCFBP-KRWDZBQOSA-N 1 3 348.451 0.198 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013410 548255862 /nfs/dbraw/zinc/25/58/62/548255862.db2.gz DKUPIVZHHCILEI-AWEZNQCLSA-N 1 3 336.480 0.600 20 30 ECEDHO CN(C)C(=O)CCN1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852867508 589519931 /nfs/dbraw/zinc/51/99/31/589519931.db2.gz WWRGDTDLKBJFPN-UHFFFAOYSA-N 1 3 334.464 0.048 20 30 ECEDHO CN(C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798158 589559142 /nfs/dbraw/zinc/55/91/42/589559142.db2.gz CRQZFYBZNPHZOX-UHFFFAOYSA-N 1 3 339.465 0.501 20 30 ECEDHO CN(C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798158 589559144 /nfs/dbraw/zinc/55/91/44/589559144.db2.gz CRQZFYBZNPHZOX-UHFFFAOYSA-N 1 3 339.465 0.501 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875182718 590279171 /nfs/dbraw/zinc/27/91/71/590279171.db2.gz WNLMRPXTEXNBNG-ZBFHGGJFSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182718 590279173 /nfs/dbraw/zinc/27/91/73/590279173.db2.gz WNLMRPXTEXNBNG-ZBFHGGJFSA-N 1 3 334.464 0.306 20 30 ECEDHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)CC2)C1 ZINC000884236273 590785717 /nfs/dbraw/zinc/78/57/17/590785717.db2.gz QEPWTCJUSIORGR-DHADLLTHSA-N 1 3 345.491 0.364 20 30 ECEDHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)CC2)C1 ZINC000884236273 590785721 /nfs/dbraw/zinc/78/57/21/590785721.db2.gz QEPWTCJUSIORGR-DHADLLTHSA-N 1 3 345.491 0.364 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180945 611523902 /nfs/dbraw/zinc/52/39/02/611523902.db2.gz SONUGVFVSXWKNV-MLYOOKFZSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180945 611523904 /nfs/dbraw/zinc/52/39/04/611523904.db2.gz SONUGVFVSXWKNV-MLYOOKFZSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC000970791886 733943246 /nfs/dbraw/zinc/94/32/46/733943246.db2.gz BIWSEHLGGWTLPR-IAGOWNOFSA-N 1 3 346.475 0.143 20 30 ECEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104291662 734006039 /nfs/dbraw/zinc/00/60/39/734006039.db2.gz ROWOMBIQFWPBGI-UNEWFSDZSA-N 1 3 349.479 0.041 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2O)CC1 ZINC001078227215 782523300 /nfs/dbraw/zinc/52/33/00/782523300.db2.gz OJWVJPALQSEJJU-QZTJIDSGSA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2O)CC1 ZINC001078227215 782523310 /nfs/dbraw/zinc/52/33/10/782523310.db2.gz OJWVJPALQSEJJU-QZTJIDSGSA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938606 740980579 /nfs/dbraw/zinc/98/05/79/740980579.db2.gz XKNZBEGZTGHRAT-HZPDHXFCSA-N 1 3 336.480 0.152 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000999876549 744984687 /nfs/dbraw/zinc/98/46/87/744984687.db2.gz NTKGNRKAJLGLMA-UHFFFAOYSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985617 745138343 /nfs/dbraw/zinc/13/83/43/745138343.db2.gz CGKOAYPAMXZNHK-IAGOWNOFSA-N 1 3 344.463 0.669 20 30 ECEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561682 746443364 /nfs/dbraw/zinc/44/33/64/746443364.db2.gz SPMOGNCXEFAZOQ-HSPZGVKFSA-N 1 3 331.460 0.720 20 30 ECEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561682 746443368 /nfs/dbraw/zinc/44/33/68/746443368.db2.gz SPMOGNCXEFAZOQ-HSPZGVKFSA-N 1 3 331.460 0.720 20 30 ECEDHO CC#CCN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136081 747469404 /nfs/dbraw/zinc/46/94/04/747469404.db2.gz UMKZFLCZTQZKOR-AEFFLSMTSA-N 1 3 343.475 0.862 20 30 ECEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001088350309 748871516 /nfs/dbraw/zinc/87/15/16/748871516.db2.gz UJJFGNNXEDUVGL-DHADLLTHSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCn3cccn3)C2)CC1 ZINC000980477210 749628741 /nfs/dbraw/zinc/62/87/41/749628741.db2.gz CYRYDXIZJWNFAL-GOSISDBHSA-N 1 3 343.475 0.761 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)CC1 ZINC000980477210 749628747 /nfs/dbraw/zinc/62/87/47/749628747.db2.gz CYRYDXIZJWNFAL-GOSISDBHSA-N 1 3 343.475 0.761 20 30 ECEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005742882 750581785 /nfs/dbraw/zinc/58/17/85/750581785.db2.gz WXXYORZBIOPUSY-RMXPPQQLSA-N 1 3 331.460 0.796 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCn2cccn2)CC1 ZINC001028333445 752402102 /nfs/dbraw/zinc/40/21/02/752402102.db2.gz LGITVQCMDMPLOK-GOSISDBHSA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCn2cccn2)CC1 ZINC001028333445 752402107 /nfs/dbraw/zinc/40/21/07/752402107.db2.gz LGITVQCMDMPLOK-GOSISDBHSA-N 1 3 343.475 0.809 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)C1=O ZINC001030019455 753278567 /nfs/dbraw/zinc/27/85/67/753278567.db2.gz HNFXCCKXACRETM-HRCADAONSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996675348 758442937 /nfs/dbraw/zinc/44/29/37/758442937.db2.gz XXCHODGPRKQWHM-HOTGVXAUSA-N 1 3 346.475 0.047 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254968 766606526 /nfs/dbraw/zinc/60/65/26/766606526.db2.gz GZQCZRBQHBTJQA-CVEARBPZSA-N 1 3 349.479 0.329 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254968 766606529 /nfs/dbraw/zinc/60/65/29/766606529.db2.gz GZQCZRBQHBTJQA-CVEARBPZSA-N 1 3 349.479 0.329 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722161 /nfs/dbraw/zinc/72/21/61/766722161.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722165 /nfs/dbraw/zinc/72/21/65/766722165.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 1 3 346.519 0.816 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC000993855329 769763180 /nfs/dbraw/zinc/76/31/80/769763180.db2.gz OFYIJSOSPBUUQA-HNNXBMFYSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC000993855329 769763188 /nfs/dbraw/zinc/76/31/88/769763188.db2.gz OFYIJSOSPBUUQA-HNNXBMFYSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386418 771236847 /nfs/dbraw/zinc/23/68/47/771236847.db2.gz NSEPRXYEVFVATD-HOTGVXAUSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493136 784187037 /nfs/dbraw/zinc/18/70/37/784187037.db2.gz LNLOYXDWLAHNJG-SOLBZPMBSA-N 1 3 343.475 0.832 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534730 784239759 /nfs/dbraw/zinc/23/97/59/784239759.db2.gz LELCVFMHXRJZJT-YQQAZPJKSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534730 784239766 /nfs/dbraw/zinc/23/97/66/784239766.db2.gz LELCVFMHXRJZJT-YQQAZPJKSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001070721082 784595781 /nfs/dbraw/zinc/59/57/81/784595781.db2.gz MYJGMEABXQLXIN-IAGOWNOFSA-N 1 3 343.475 0.813 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267558721 837767771 /nfs/dbraw/zinc/76/77/71/837767771.db2.gz FZBZMLJAKQMJMB-OWCLPIDISA-N 1 3 336.480 0.457 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267558721 837767777 /nfs/dbraw/zinc/76/77/77/837767777.db2.gz FZBZMLJAKQMJMB-OWCLPIDISA-N 1 3 336.480 0.457 20 30 ECEDHO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266542179 835963963 /nfs/dbraw/zinc/96/39/63/835963963.db2.gz JHDDFFQHKZZELK-JKSUJKDBSA-N 1 3 336.480 0.696 20 30 ECEDHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716849 836191130 /nfs/dbraw/zinc/19/11/30/836191130.db2.gz QZOJNMSNDYRILH-QLFBSQMISA-N 1 3 335.452 0.126 20 30 ECEDHO CN(C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCC1 ZINC000264064682 282026006 /nfs/dbraw/zinc/02/60/06/282026006.db2.gz DPUMBQRVDOBVBV-UHFFFAOYSA-N 1 3 331.468 0.788 20 30 ECEDHO C[NH+]=C(NCCN1CCOCC1)NCc1cccc(CN(C)C)c1 ZINC000104171789 436556727 /nfs/dbraw/zinc/55/67/27/436556727.db2.gz ZTOQPFYWBYWUIK-UHFFFAOYSA-N 1 3 333.480 0.745 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114907 437016179 /nfs/dbraw/zinc/01/61/79/437016179.db2.gz SDSDFKOFIQFAPR-INIZCTEOSA-N 1 3 331.464 0.734 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106126 437017346 /nfs/dbraw/zinc/01/73/46/437017346.db2.gz PMBMAAHZNWYUFK-HUUCEWRRSA-N 1 3 338.427 0.954 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264101835 437017571 /nfs/dbraw/zinc/01/75/71/437017571.db2.gz OKNMYZKKJORQFN-AWEZNQCLSA-N 1 3 333.436 0.511 20 30 ECEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCOCC1 ZINC000190538426 437628982 /nfs/dbraw/zinc/62/89/82/437628982.db2.gz LELHZWYMXBPSKQ-QGZVFWFLSA-N 1 3 332.448 0.924 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000419727104 438370380 /nfs/dbraw/zinc/37/03/80/438370380.db2.gz KVWMYFHOTXLDTO-GJZGRUSLSA-N 1 3 336.480 0.586 20 30 ECEDHO N#CCc1ccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000563141623 438860821 /nfs/dbraw/zinc/86/08/21/438860821.db2.gz LPVPNROENHPYMT-SFHVURJKSA-N 1 3 347.459 0.929 20 30 ECEDHO N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000594437134 439561163 /nfs/dbraw/zinc/56/11/63/439561163.db2.gz IPGVLXXEEBFWSG-HNNXBMFYSA-N 1 3 335.452 0.164 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900592238 586644763 /nfs/dbraw/zinc/64/47/63/586644763.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900592238 586644765 /nfs/dbraw/zinc/64/47/65/586644765.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000900592238 586644766 /nfs/dbraw/zinc/64/47/66/586644766.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000900592238 586644768 /nfs/dbraw/zinc/64/47/68/586644768.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876759010 590410272 /nfs/dbraw/zinc/41/02/72/590410272.db2.gz MWUPAURRCFZSDC-ZDUSSCGKSA-N 1 3 330.860 0.515 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)C1CC[NH+](C)CC1 ZINC000929955343 611371454 /nfs/dbraw/zinc/37/14/54/611371454.db2.gz OCYCLLYBTIJFNQ-QGZVFWFLSA-N 1 3 348.491 0.533 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000930007487 611379663 /nfs/dbraw/zinc/37/96/63/611379663.db2.gz SBKCRSVVBWCPCH-UHFFFAOYSA-N 1 3 338.496 0.799 20 30 ECEDHO C#CCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000929610349 611770237 /nfs/dbraw/zinc/77/02/37/611770237.db2.gz ZKNOVQOZNPXBAQ-MRXNPFEDSA-N 1 3 348.491 0.533 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225417 733068596 /nfs/dbraw/zinc/06/85/96/733068596.db2.gz USCMWRKPYWMGCZ-OAHLLOKOSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225240 733068797 /nfs/dbraw/zinc/06/87/97/733068797.db2.gz RIKSHKGECIWBRN-HOTGVXAUSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225241 733068843 /nfs/dbraw/zinc/06/88/43/733068843.db2.gz RIKSHKGECIWBRN-HZPDHXFCSA-N 1 3 348.491 0.485 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000970792671 733943631 /nfs/dbraw/zinc/94/36/31/733943631.db2.gz RHZAUNPRFLLNJE-QGZVFWFLSA-N 1 3 329.448 0.456 20 30 ECEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433394 736191716 /nfs/dbraw/zinc/19/17/16/736191716.db2.gz AGYBCUKLHQCCSF-QCZOYZIOSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001023128349 736523629 /nfs/dbraw/zinc/52/36/29/736523629.db2.gz ADJNEIGRGVZXGA-IXDOHACOSA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@H](C)C(N)=O)CC2)CC1 ZINC001026609678 741612958 /nfs/dbraw/zinc/61/29/58/741612958.db2.gz RLSPZQXOZDTHCD-IUDNXUCKSA-N 1 3 334.464 0.222 20 30 ECEDHO CCCN1CC[C@@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261972976 743231858 /nfs/dbraw/zinc/23/18/58/743231858.db2.gz NEVJTFLVVCGDDI-AWEZNQCLSA-N 1 3 344.525 0.803 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023120 745193682 /nfs/dbraw/zinc/19/36/82/745193682.db2.gz YATVDXYNZNZHHI-INIZCTEOSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC001000990742 745956659 /nfs/dbraw/zinc/95/66/59/745956659.db2.gz DKEPQQIBPWLCJM-HZPDHXFCSA-N 1 3 334.464 0.176 20 30 ECEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551192 746419863 /nfs/dbraw/zinc/41/98/63/746419863.db2.gz DLCDTOZFSWKEAP-HSPZGVKFSA-N 1 3 331.460 0.720 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551192 746419865 /nfs/dbraw/zinc/41/98/65/746419865.db2.gz DLCDTOZFSWKEAP-HSPZGVKFSA-N 1 3 331.460 0.720 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@H]3C2)CC1 ZINC000980252811 749258845 /nfs/dbraw/zinc/25/88/45/749258845.db2.gz JGRMKBJSDMLRKB-RCCFBDPRSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@H]3C2)CC1 ZINC000980252811 749258849 /nfs/dbraw/zinc/25/88/49/749258849.db2.gz JGRMKBJSDMLRKB-RCCFBDPRSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255138 749261417 /nfs/dbraw/zinc/26/14/17/749261417.db2.gz PBGGYSAIBNPSFJ-CEXWTWQISA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255138 749261421 /nfs/dbraw/zinc/26/14/21/749261421.db2.gz PBGGYSAIBNPSFJ-CEXWTWQISA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC001021089648 752529360 /nfs/dbraw/zinc/52/93/60/752529360.db2.gz GTDOSSPZFNRLCN-SZMVWBNQSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001021090441 752530212 /nfs/dbraw/zinc/53/02/12/752530212.db2.gz VOZXQPUXAYVIAX-CGBFIWBNSA-N 1 3 345.487 0.995 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990276877 754931984 /nfs/dbraw/zinc/93/19/84/754931984.db2.gz KIALTURXORHZRV-JKSUJKDBSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCOC)C[C@H]32)CC1 ZINC001050208182 759942863 /nfs/dbraw/zinc/94/28/63/759942863.db2.gz FNNAYOIWMLRZBS-ZWKOTPCHSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCOC)C[C@H]32)CC1 ZINC001050208182 759942871 /nfs/dbraw/zinc/94/28/71/759942871.db2.gz FNNAYOIWMLRZBS-ZWKOTPCHSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337531 766144986 /nfs/dbraw/zinc/14/49/86/766144986.db2.gz RKRDFGPBOOVVDK-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337531 766144990 /nfs/dbraw/zinc/14/49/90/766144990.db2.gz RKRDFGPBOOVVDK-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054637 766802143 /nfs/dbraw/zinc/80/21/43/766802143.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054637 766802154 /nfs/dbraw/zinc/80/21/54/766802154.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 1 3 346.519 0.960 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846528 /nfs/dbraw/zinc/84/65/28/766846528.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846539 /nfs/dbraw/zinc/84/65/39/766846539.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907977 767104896 /nfs/dbraw/zinc/10/48/96/767104896.db2.gz KMZZGXXAAYWMJS-OWCLPIDISA-N 1 3 338.496 0.703 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273627 780949200 /nfs/dbraw/zinc/94/92/00/780949200.db2.gz HOWDZVNJGAGOLZ-YESZJQIVSA-N 1 3 331.460 0.511 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273627 780949203 /nfs/dbraw/zinc/94/92/03/780949203.db2.gz HOWDZVNJGAGOLZ-YESZJQIVSA-N 1 3 331.460 0.511 20 30 ECEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618847 /nfs/dbraw/zinc/61/88/47/781618847.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618850 /nfs/dbraw/zinc/61/88/50/781618850.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001070655483 784507503 /nfs/dbraw/zinc/50/75/03/784507503.db2.gz NRDJCNAWEIBGDH-HUUCEWRRSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603927 786755384 /nfs/dbraw/zinc/75/53/84/786755384.db2.gz SBLZFPMYXDMWPZ-INIZCTEOSA-N 1 3 347.463 0.289 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](CC)C(N)=O)[C@@H]2C)CC1 ZINC001075129006 788947627 /nfs/dbraw/zinc/94/76/27/788947627.db2.gz NZGNYFSZNLRVNA-BPUTZDHNSA-N 1 3 334.464 0.175 20 30 ECEDHO CC(C)(C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1)N1CCCCC1 ZINC001266409940 835814992 /nfs/dbraw/zinc/81/49/92/835814992.db2.gz UWIZZMIUKMAJLC-HNNXBMFYSA-N 1 3 349.479 0.375 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001267838653 838634068 /nfs/dbraw/zinc/63/40/68/838634068.db2.gz OXELKLDSSCJMLQ-UHFFFAOYSA-N 1 3 334.464 0.239 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000419564727 254773307 /nfs/dbraw/zinc/77/33/07/254773307.db2.gz CUVAMYMOHKMMFK-JKSUJKDBSA-N 1 3 336.480 0.622 20 30 ECEDHO C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264101900 275388428 /nfs/dbraw/zinc/38/84/28/275388428.db2.gz ONFHPFITEZLEHV-MRXNPFEDSA-N 1 3 327.432 0.995 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909767 436960898 /nfs/dbraw/zinc/96/08/98/436960898.db2.gz LMWMPVPNTUAGSF-HNNXBMFYSA-N 1 3 329.448 0.964 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000287228615 437172128 /nfs/dbraw/zinc/17/21/28/437172128.db2.gz NWPSGFVDOJQKPB-ZDUSSCGKSA-N 1 3 339.465 0.223 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000343906652 437691072 /nfs/dbraw/zinc/69/10/72/437691072.db2.gz HPOGRQDRPRAEBI-RHSMWYFYSA-N 1 3 348.491 0.742 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000340804924 437740017 /nfs/dbraw/zinc/74/00/17/437740017.db2.gz UXQDWZZEMKNFEK-OAHLLOKOSA-N 1 3 336.480 0.601 20 30 ECEDHO C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419691 437811280 /nfs/dbraw/zinc/81/12/80/437811280.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 1 3 335.496 0.895 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C(C)C ZINC000419576927 438363278 /nfs/dbraw/zinc/36/32/78/438363278.db2.gz YLUQIGCHZOZXDC-INIZCTEOSA-N 1 3 336.480 0.669 20 30 ECEDHO COC(=O)[C@H]1C[C@@H](N(C)CC#CC[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595855789 438869911 /nfs/dbraw/zinc/86/99/11/438869911.db2.gz HABMHAZXNNQPGZ-RUPPMWDTSA-N 1 3 336.432 0.757 20 30 ECEDHO COC(=O)[C@H]1C[C@@H](N(C)CC#CC[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595855789 438869914 /nfs/dbraw/zinc/86/99/14/438869914.db2.gz HABMHAZXNNQPGZ-RUPPMWDTSA-N 1 3 336.432 0.757 20 30 ECEDHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000568632123 439264315 /nfs/dbraw/zinc/26/43/15/439264315.db2.gz JPJFQTJFTKLOGI-UHFFFAOYSA-N 1 3 327.436 0.670 20 30 ECEDHO C=CC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000662716713 439858246 /nfs/dbraw/zinc/85/82/46/439858246.db2.gz VSLVPGAZAWZVNL-SFHVURJKSA-N 1 3 334.464 0.451 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621846256 546576128 /nfs/dbraw/zinc/57/61/28/546576128.db2.gz YQSSKFDXECGSTI-KBXCAEBGSA-N 1 3 334.464 0.483 20 30 ECEDHO CN(C)CCC[N@H+](C)CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853799448 589559346 /nfs/dbraw/zinc/55/93/46/589559346.db2.gz QPLSSXRPGIBRMU-UHFFFAOYSA-N 1 3 339.465 0.501 20 30 ECEDHO CN(C)CCC[N@@H+](C)CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853799448 589559348 /nfs/dbraw/zinc/55/93/48/589559348.db2.gz QPLSSXRPGIBRMU-UHFFFAOYSA-N 1 3 339.465 0.501 20 30 ECEDHO C=C(CN(C)C)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(=C)C[NH+](C)C ZINC000855081961 589619933 /nfs/dbraw/zinc/61/99/33/589619933.db2.gz RRRYMLHRZUPNRZ-HOTGVXAUSA-N 1 3 336.480 0.766 20 30 ECEDHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)CC2)C1 ZINC000884236275 590786321 /nfs/dbraw/zinc/78/63/21/590786321.db2.gz QEPWTCJUSIORGR-VIHIWDAPSA-N 1 3 345.491 0.364 20 30 ECEDHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)CC2)C1 ZINC000884236275 590786322 /nfs/dbraw/zinc/78/63/22/590786322.db2.gz QEPWTCJUSIORGR-VIHIWDAPSA-N 1 3 345.491 0.364 20 30 ECEDHO COCCN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884450809 590832481 /nfs/dbraw/zinc/83/24/81/590832481.db2.gz UHUUIJIAFHWWJM-TVRKMHQQSA-N 1 3 348.491 0.943 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884642958 590881921 /nfs/dbraw/zinc/88/19/21/590881921.db2.gz UDLMCNOCUQPIBH-LBPRGKRZSA-N 1 3 344.406 0.114 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679732 590991752 /nfs/dbraw/zinc/99/17/52/590991752.db2.gz HHIVVBYGRMGULT-KRWDZBQOSA-N 1 3 335.496 0.409 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236861 609829853 /nfs/dbraw/zinc/82/98/53/609829853.db2.gz VCHXMGLJTCMFEB-RDTXWAMCSA-N 1 3 334.464 0.483 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911235508 609829860 /nfs/dbraw/zinc/82/98/60/609829860.db2.gz FZWISVITNMVFDG-IAGOWNOFSA-N 1 3 342.443 0.494 20 30 ECEDHO C=C(CC[NH+](C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000915066483 609903455 /nfs/dbraw/zinc/90/34/55/609903455.db2.gz OMRRBEJVENYVKB-UHFFFAOYSA-N 1 3 336.480 0.827 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189308 611894507 /nfs/dbraw/zinc/89/45/07/611894507.db2.gz PKRRLBRXTJSQJF-DLBZAZTESA-N 1 3 333.476 0.901 20 30 ECEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189308 611894508 /nfs/dbraw/zinc/89/45/08/611894508.db2.gz PKRRLBRXTJSQJF-DLBZAZTESA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001023127793 736523154 /nfs/dbraw/zinc/52/31/54/736523154.db2.gz DFPLIVPKRKJYLH-HDICACEKSA-N 1 3 343.475 0.545 20 30 ECEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500034 736924948 /nfs/dbraw/zinc/92/49/48/736924948.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500034 736924953 /nfs/dbraw/zinc/92/49/53/736924953.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 1 3 331.460 0.701 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326809 741805595 /nfs/dbraw/zinc/80/55/95/741805595.db2.gz GZMKCSOIWHDXDB-YOEHRIQHSA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326809 741805597 /nfs/dbraw/zinc/80/55/97/741805597.db2.gz GZMKCSOIWHDXDB-YOEHRIQHSA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026889507 742029566 /nfs/dbraw/zinc/02/95/66/742029566.db2.gz XKGKSMNPLQDQKM-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934280 742903293 /nfs/dbraw/zinc/90/32/93/742903293.db2.gz XWJACZHJLFSPAT-HOTGVXAUSA-N 1 3 346.475 0.307 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003509 743159202 /nfs/dbraw/zinc/15/92/02/743159202.db2.gz MUBPNDXHMWGMFN-SJORKVTESA-N 1 3 333.476 0.806 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003509 743159205 /nfs/dbraw/zinc/15/92/05/743159205.db2.gz MUBPNDXHMWGMFN-SJORKVTESA-N 1 3 333.476 0.806 20 30 ECEDHO C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045844 745226258 /nfs/dbraw/zinc/22/62/58/745226258.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 1 3 332.452 0.669 20 30 ECEDHO C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045844 745226262 /nfs/dbraw/zinc/22/62/62/745226262.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)CC1 ZINC001000214410 745352443 /nfs/dbraw/zinc/35/24/43/745352443.db2.gz MWHMGJIQUYXVKL-RMXPPQQLSA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001000994550 745959480 /nfs/dbraw/zinc/95/94/80/745959480.db2.gz VRUGSLGVKJGTKH-DLBZAZTESA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647911 746569667 /nfs/dbraw/zinc/56/96/67/746569667.db2.gz ZZSFDPDMRIPOKU-HFCFLWKCSA-N 1 3 331.460 0.701 20 30 ECEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141332 /nfs/dbraw/zinc/14/13/32/747141332.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 1 3 343.471 0.653 20 30 ECEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141334 /nfs/dbraw/zinc/14/13/34/747141334.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 1 3 343.471 0.653 20 30 ECEDHO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904135 749534381 /nfs/dbraw/zinc/53/43/81/749534381.db2.gz NYQCTWQAPBNEFB-IRXDYDNUSA-N 1 3 348.491 0.649 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904135 749534385 /nfs/dbraw/zinc/53/43/85/749534385.db2.gz NYQCTWQAPBNEFB-IRXDYDNUSA-N 1 3 348.491 0.649 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC000989828173 754496720 /nfs/dbraw/zinc/49/67/20/754496720.db2.gz ARQHNDBGODVQCS-NVXWUHKLSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627829 755087493 /nfs/dbraw/zinc/08/74/93/755087493.db2.gz NSUIZFSQPBCNED-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627829 755087501 /nfs/dbraw/zinc/08/75/01/755087501.db2.gz NSUIZFSQPBCNED-WMZOPIPTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661978 755372944 /nfs/dbraw/zinc/37/29/44/755372944.db2.gz LUTLZRMNQUFSIU-PSBWJHGTSA-N 1 3 335.492 0.928 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254974 766605886 /nfs/dbraw/zinc/60/58/86/766605886.db2.gz GZQCZRBQHBTJQA-HOTGVXAUSA-N 1 3 349.479 0.329 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254974 766605894 /nfs/dbraw/zinc/60/58/94/766605894.db2.gz GZQCZRBQHBTJQA-HOTGVXAUSA-N 1 3 349.479 0.329 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001016984097 767437893 /nfs/dbraw/zinc/43/78/93/767437893.db2.gz CQHLDPGALBYPRA-NVXWUHKLSA-N 1 3 333.476 0.683 20 30 ECEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357097 768465086 /nfs/dbraw/zinc/46/50/86/768465086.db2.gz RMZPERLRUJHFAD-HNNXBMFYSA-N 1 3 336.480 0.649 20 30 ECEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357097 768465089 /nfs/dbraw/zinc/46/50/89/768465089.db2.gz RMZPERLRUJHFAD-HNNXBMFYSA-N 1 3 336.480 0.649 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108752 788916957 /nfs/dbraw/zinc/91/69/57/788916957.db2.gz JGGWYDUFFXTOBS-JYJNAYRXSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444762 835847981 /nfs/dbraw/zinc/84/79/81/835847981.db2.gz DQIHCDSDUUQNBR-DLBZAZTESA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]Cc2ccnn2C)C2CC2)CC1 ZINC001266444993 835848612 /nfs/dbraw/zinc/84/86/12/835848612.db2.gz IRLBJLZURKCERF-SFHVURJKSA-N 1 3 343.475 0.750 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266559550 835987245 /nfs/dbraw/zinc/98/72/45/835987245.db2.gz DPYKZRJBFXADCM-SJORKVTESA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266559550 835987250 /nfs/dbraw/zinc/98/72/50/835987250.db2.gz DPYKZRJBFXADCM-SJORKVTESA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000343631919 437607505 /nfs/dbraw/zinc/60/75/05/437607505.db2.gz BUKMBEUQQHLOEJ-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000343631919 437607510 /nfs/dbraw/zinc/60/75/10/437607510.db2.gz BUKMBEUQQHLOEJ-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO COc1ccc(CNC(=[NH2+])NCCN2CCCN(C)CC2)cc1OC ZINC000264121753 437017243 /nfs/dbraw/zinc/01/72/43/437017243.db2.gz VGUBMCMTIOHVTK-UHFFFAOYSA-N 1 3 349.479 0.746 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264306866 437017980 /nfs/dbraw/zinc/01/79/80/437017980.db2.gz TWKQKMXIRLHNCB-HNNXBMFYSA-N 1 3 329.448 0.964 20 30 ECEDHO COC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000264077658 437015218 /nfs/dbraw/zinc/01/52/18/437015218.db2.gz HQRDNPRISYIGEK-HNNXBMFYSA-N 1 3 333.480 0.873 20 30 ECEDHO C=CCN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175742626 437114959 /nfs/dbraw/zinc/11/49/59/437114959.db2.gz UKMOPJRETLUVLY-UHFFFAOYSA-N 1 3 337.512 0.962 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000343735114 437640850 /nfs/dbraw/zinc/64/08/50/437640850.db2.gz FNDPNYWTOLWIAC-KRWDZBQOSA-N 1 3 348.491 0.840 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000343737077 437642044 /nfs/dbraw/zinc/64/20/44/437642044.db2.gz HYKURBXDVORABX-UKRRQHHQSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C(C)C ZINC000417063544 438018261 /nfs/dbraw/zinc/01/82/61/438018261.db2.gz NUAXFQKKBCBSQX-SJORKVTESA-N 1 3 337.512 0.888 20 30 ECEDHO N#CCCCC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443232 439562456 /nfs/dbraw/zinc/56/24/56/439562456.db2.gz BCOZDSHGHFPEQZ-NWDGAFQWSA-N 1 3 335.374 0.350 20 30 ECEDHO N#Cc1ccc(N2CCN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cn1 ZINC000873227713 590187143 /nfs/dbraw/zinc/18/71/43/590187143.db2.gz MSZIPUDPDUYHHI-OAHLLOKOSA-N 1 3 342.447 0.273 20 30 ECEDHO N#Cc1ccc(N2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cn1 ZINC000873227706 590187159 /nfs/dbraw/zinc/18/71/59/590187159.db2.gz MSZIPUDPDUYHHI-HNNXBMFYSA-N 1 3 342.447 0.273 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078657 590734680 /nfs/dbraw/zinc/73/46/80/590734680.db2.gz RSLCZUYJXKDZLL-SFHVURJKSA-N 1 3 349.523 0.801 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884642624 590882009 /nfs/dbraw/zinc/88/20/09/590882009.db2.gz NFRZECJMAVTSGX-KBXCAEBGSA-N 1 3 334.464 0.211 20 30 ECEDHO C(#CC[N@@H+]1CC[C@H](C2OCCO2)C1)CN1CC[C@H](C2OCCO2)C1 ZINC000931997102 611592065 /nfs/dbraw/zinc/59/20/65/611592065.db2.gz AZVZOHPHWGLSKZ-HOTGVXAUSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@H+]1CC[C@H](C2OCCO2)C1)CN1CC[C@H](C2OCCO2)C1 ZINC000931997102 611592068 /nfs/dbraw/zinc/59/20/68/611592068.db2.gz AZVZOHPHWGLSKZ-HOTGVXAUSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@@H+]1CC[C@@H](C2OCCO2)C1)CN1CC[C@H](C2OCCO2)C1 ZINC000931997104 611592221 /nfs/dbraw/zinc/59/22/21/611592221.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@H+]1CC[C@@H](C2OCCO2)C1)CN1CC[C@H](C2OCCO2)C1 ZINC000931997104 611592224 /nfs/dbraw/zinc/59/22/24/611592224.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@@H+]1CC[C@H](C2OCCO2)C1)CN1CC[C@@H](C2OCCO2)C1 ZINC000931997104 611592227 /nfs/dbraw/zinc/59/22/27/611592227.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 1 3 336.432 0.379 20 30 ECEDHO C(#CC[N@H+]1CC[C@H](C2OCCO2)C1)CN1CC[C@@H](C2OCCO2)C1 ZINC000931997104 611592229 /nfs/dbraw/zinc/59/22/29/611592229.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 1 3 336.432 0.379 20 30 ECEDHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC#CCN(C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523715 609684227 /nfs/dbraw/zinc/68/42/27/609684227.db2.gz JRMRICWJSJMGPB-MSOLQXFVSA-N 1 3 345.491 0.915 20 30 ECEDHO CC(C)[N@H+]1CC[C@@H](C(=O)NCC#CCN(C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523715 609684228 /nfs/dbraw/zinc/68/42/28/609684228.db2.gz JRMRICWJSJMGPB-MSOLQXFVSA-N 1 3 345.491 0.915 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910884830 609773448 /nfs/dbraw/zinc/77/34/48/609773448.db2.gz FDCZDXAUFOHYFO-QGZVFWFLSA-N 1 3 346.475 0.239 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095625 611852350 /nfs/dbraw/zinc/85/23/50/611852350.db2.gz SUTGXIZLKWRWFM-SJORKVTESA-N 1 3 349.475 0.729 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095625 611852351 /nfs/dbraw/zinc/85/23/51/611852351.db2.gz SUTGXIZLKWRWFM-SJORKVTESA-N 1 3 349.475 0.729 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001023128529 736524172 /nfs/dbraw/zinc/52/41/72/736524172.db2.gz IOCJCRSDNAUXOY-CALCHBBNSA-N 1 3 329.448 0.502 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001023130951 736526360 /nfs/dbraw/zinc/52/63/60/736526360.db2.gz OUWTVPQQWXAPBD-TWMKSMIVSA-N 1 3 348.491 0.885 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640519 737129009 /nfs/dbraw/zinc/12/90/09/737129009.db2.gz HSBQARSQVLJLJL-INIZCTEOSA-N 1 3 331.464 0.910 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000974147743 741007057 /nfs/dbraw/zinc/00/70/57/741007057.db2.gz LXULVWVTMGBVPO-YESZJQIVSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000974147743 741007062 /nfs/dbraw/zinc/00/70/62/741007062.db2.gz LXULVWVTMGBVPO-YESZJQIVSA-N 1 3 346.475 0.047 20 30 ECEDHO CCCN1CC[C@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261972982 743231942 /nfs/dbraw/zinc/23/19/42/743231942.db2.gz NEVJTFLVVCGDDI-CQSZACIVSA-N 1 3 344.525 0.803 20 30 ECEDHO C#CCCN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803913 745746017 /nfs/dbraw/zinc/74/60/17/745746017.db2.gz JZDHIEYDWHXLKW-DOTOQJQBSA-N 1 3 329.448 0.614 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909347 749560254 /nfs/dbraw/zinc/56/02/54/749560254.db2.gz LKRRVWXDTROIET-WBVHZDCISA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909347 749560259 /nfs/dbraw/zinc/56/02/59/749560259.db2.gz LKRRVWXDTROIET-WBVHZDCISA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC001021090406 752530237 /nfs/dbraw/zinc/53/02/37/752530237.db2.gz USBYFGNDLGYRGZ-ULQDDVLXSA-N 1 3 346.475 0.189 20 30 ECEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943922 757480082 /nfs/dbraw/zinc/48/00/82/757480082.db2.gz JRFSQFPLFJDIBW-FNYPPERVSA-N 1 3 331.460 0.816 20 30 ECEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943922 757480087 /nfs/dbraw/zinc/48/00/87/757480087.db2.gz JRFSQFPLFJDIBW-FNYPPERVSA-N 1 3 331.460 0.816 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042634 759503862 /nfs/dbraw/zinc/50/38/62/759503862.db2.gz WFZVHKAEWXFOHP-OWCLPIDISA-N 1 3 336.480 0.149 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958079 764943678 /nfs/dbraw/zinc/94/36/78/764943678.db2.gz SZYWFXPMJXUYIL-FKVWROMMSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958079 764943683 /nfs/dbraw/zinc/94/36/83/764943683.db2.gz SZYWFXPMJXUYIL-FKVWROMMSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338162 766146873 /nfs/dbraw/zinc/14/68/73/766146873.db2.gz XHMUMDSGUYXHDC-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338162 766146878 /nfs/dbraw/zinc/14/68/78/766146878.db2.gz XHMUMDSGUYXHDC-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001046034711 766715726 /nfs/dbraw/zinc/71/57/26/766715726.db2.gz XZRGOYAUBUZYSE-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034711 766715731 /nfs/dbraw/zinc/71/57/31/766715731.db2.gz XZRGOYAUBUZYSE-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037469 766733930 /nfs/dbraw/zinc/73/39/30/766733930.db2.gz QBCHVRIERQJRJN-ROUUACIJSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037469 766733935 /nfs/dbraw/zinc/73/39/35/766733935.db2.gz QBCHVRIERQJRJN-ROUUACIJSA-N 1 3 334.508 0.814 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560844 771491576 /nfs/dbraw/zinc/49/15/76/771491576.db2.gz IKKUXUALZCCNJO-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560844 771491578 /nfs/dbraw/zinc/49/15/78/771491578.db2.gz IKKUXUALZCCNJO-QGZVFWFLSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001045321636 775410527 /nfs/dbraw/zinc/41/05/27/775410527.db2.gz ZVNDDPTZPFABEX-IRXDYDNUSA-N 1 3 346.475 0.191 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223972 783693213 /nfs/dbraw/zinc/69/32/13/783693213.db2.gz GMYVBYUUIVEEMR-ZACQAIPSSA-N 1 3 346.479 0.926 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223972 783693217 /nfs/dbraw/zinc/69/32/17/783693217.db2.gz GMYVBYUUIVEEMR-ZACQAIPSSA-N 1 3 346.479 0.926 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655429 784507662 /nfs/dbraw/zinc/50/76/62/784507662.db2.gz LRCWRFMSPGXJKJ-INMHGKMJSA-N 1 3 329.448 0.278 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)C1=O ZINC001074792924 787826416 /nfs/dbraw/zinc/82/64/16/787826416.db2.gz IEOYOZWIYJGULH-CAOSSQGBSA-N 1 3 334.464 0.447 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267071962 836716919 /nfs/dbraw/zinc/71/69/19/836716919.db2.gz ZTMZUZMQAAIOTB-CVEARBPZSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267071964 836717231 /nfs/dbraw/zinc/71/72/31/836717231.db2.gz ZTMZUZMQAAIOTB-HZPDHXFCSA-N 1 3 336.480 0.601 20 30 ECEDHO C#CCNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001267843489 838641459 /nfs/dbraw/zinc/64/14/59/838641459.db2.gz GJBNNKVDTPMTCQ-OAHLLOKOSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001267843489 838641461 /nfs/dbraw/zinc/64/14/61/838641461.db2.gz GJBNNKVDTPMTCQ-OAHLLOKOSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267962318 838876668 /nfs/dbraw/zinc/87/66/68/838876668.db2.gz CDOMUAZJODVLEB-LUKYLMHMSA-N 1 3 348.491 0.435 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267962318 838876673 /nfs/dbraw/zinc/87/66/73/838876673.db2.gz CDOMUAZJODVLEB-LUKYLMHMSA-N 1 3 348.491 0.435 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001267999523 838949508 /nfs/dbraw/zinc/94/95/08/838949508.db2.gz QRWNTWWJTREWMN-GJZGRUSLSA-N 1 3 336.480 0.341 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC001268015728 838979258 /nfs/dbraw/zinc/97/92/58/838979258.db2.gz RSOUIUOPESFCEI-HNNXBMFYSA-N 1 3 343.475 0.972 20 30 ECEDHO COCCNC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000264067313 437014744 /nfs/dbraw/zinc/01/47/44/437014744.db2.gz BWBOXCNKEIARAI-QGZVFWFLSA-N 1 3 333.480 0.916 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267627144 437330541 /nfs/dbraw/zinc/33/05/41/437330541.db2.gz IYOGDYSVQMNCDZ-CYBMUJFWSA-N 1 3 330.436 0.718 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C(C)C ZINC000419567687 438362359 /nfs/dbraw/zinc/36/23/59/438362359.db2.gz JACAQASBGJRTKF-HZPDHXFCSA-N 1 3 336.480 0.608 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419731884 438369698 /nfs/dbraw/zinc/36/96/98/438369698.db2.gz RRKKAPHDHUXFHT-MRXNPFEDSA-N 1 3 336.480 0.777 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419737388 438370119 /nfs/dbraw/zinc/37/01/19/438370119.db2.gz XYGRQFQASXRPAG-HOCLYGCPSA-N 1 3 336.480 0.871 20 30 ECEDHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530233084 439493183 /nfs/dbraw/zinc/49/31/83/439493183.db2.gz OJKHQVIWLULACP-SFHVURJKSA-N 1 3 346.475 0.914 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627386521 440169919 /nfs/dbraw/zinc/16/99/19/440169919.db2.gz QGPXFSVQKABRKA-HDICACEKSA-N 1 3 334.464 0.211 20 30 ECEDHO C=C(CN(C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)CC(C)C1 ZINC000837049537 588940989 /nfs/dbraw/zinc/94/09/89/588940989.db2.gz JNDUAFLJQJRVLO-UHFFFAOYSA-N 1 3 336.480 0.529 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510498 586781109 /nfs/dbraw/zinc/78/11/09/586781109.db2.gz QZYPXCFDHBSECF-CWRNSKLLSA-N 1 3 349.479 0.287 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510498 586781111 /nfs/dbraw/zinc/78/11/11/586781111.db2.gz QZYPXCFDHBSECF-CWRNSKLLSA-N 1 3 349.479 0.287 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166796 589189834 /nfs/dbraw/zinc/18/98/34/589189834.db2.gz CUWHQPIKDZYCIJ-GVDBMIGSSA-N 1 3 336.480 0.869 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855345698 589627312 /nfs/dbraw/zinc/62/73/12/589627312.db2.gz GTLOIODODCBFMQ-WMLDXEAASA-N 1 3 332.448 0.980 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855345698 589627313 /nfs/dbraw/zinc/62/73/13/589627313.db2.gz GTLOIODODCBFMQ-WMLDXEAASA-N 1 3 332.448 0.980 20 30 ECEDHO NCc1cn(-c2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)nn1 ZINC000877206375 590444590 /nfs/dbraw/zinc/44/45/90/590444590.db2.gz GZUGAJYBQCMBBO-UHFFFAOYSA-N 1 3 338.415 0.345 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C1CCN(C)CC1 ZINC000910882508 609772859 /nfs/dbraw/zinc/77/28/59/609772859.db2.gz GKXMRIDCNHKJKE-INIZCTEOSA-N 1 3 348.491 0.531 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C1CCN(C)CC1 ZINC000910882510 609772883 /nfs/dbraw/zinc/77/28/83/609772883.db2.gz GKXMRIDCNHKJKE-MRXNPFEDSA-N 1 3 348.491 0.531 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911204270 609824553 /nfs/dbraw/zinc/82/45/53/609824553.db2.gz ZNFUSBBAIIFHIK-YYIAUSFCSA-N 1 3 348.491 0.810 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239452 610623466 /nfs/dbraw/zinc/62/34/66/610623466.db2.gz OLIJPIQEPCNHLI-NVXWUHKLSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239452 610623467 /nfs/dbraw/zinc/62/34/67/610623467.db2.gz OLIJPIQEPCNHLI-NVXWUHKLSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950432140 612016700 /nfs/dbraw/zinc/01/67/00/612016700.db2.gz MXTMEQIMWGAEHU-DLBZAZTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950432140 612016702 /nfs/dbraw/zinc/01/67/02/612016702.db2.gz MXTMEQIMWGAEHU-DLBZAZTESA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042884 731979314 /nfs/dbraw/zinc/97/93/14/731979314.db2.gz YKLOXIHRHLIASB-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042884 731979318 /nfs/dbraw/zinc/97/93/18/731979318.db2.gz YKLOXIHRHLIASB-FUHWJXTLSA-N 1 3 333.476 0.949 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000261712158 734278639 /nfs/dbraw/zinc/27/86/39/734278639.db2.gz VKTJSTUTRYVFQD-ARFHVFGLSA-N 1 3 338.496 0.943 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480482 734821039 /nfs/dbraw/zinc/82/10/39/734821039.db2.gz HMPRXLUSKWJQOR-OAHLLOKOSA-N 1 3 338.496 0.895 20 30 ECEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433649 736194480 /nfs/dbraw/zinc/19/44/80/736194480.db2.gz PTVUDKJPWCSVRE-MJQPBPLVSA-N 1 3 345.487 0.947 20 30 ECEDHO C#CCN1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997348938 743517836 /nfs/dbraw/zinc/51/78/36/743517836.db2.gz SWODILKVGIITGC-OAHLLOKOSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020586182 751843550 /nfs/dbraw/zinc/84/35/50/751843550.db2.gz HQOUPNMUUNEUDR-KLHDSHLOSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020586184 751843710 /nfs/dbraw/zinc/84/37/10/751843710.db2.gz HQOUPNMUUNEUDR-YHUYYLMFSA-N 1 3 334.464 0.494 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999373168 744663614 /nfs/dbraw/zinc/66/36/14/744663614.db2.gz FQHITJOCVPVYJN-WBVHZDCISA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000032984 745207047 /nfs/dbraw/zinc/20/70/47/745207047.db2.gz AZUJIXGWPHRJHU-OAHLLOKOSA-N 1 3 330.436 0.423 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262659762 749221838 /nfs/dbraw/zinc/22/18/38/749221838.db2.gz MQBBYZOXFDACBD-KBPBESRZSA-N 1 3 345.513 0.189 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105669290 755670608 /nfs/dbraw/zinc/67/06/08/755670608.db2.gz QQBQZIMJFKEZLT-FPAYPSAMSA-N 1 3 335.492 0.928 20 30 ECEDHO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943778 757479345 /nfs/dbraw/zinc/47/93/45/757479345.db2.gz GMIMKVZMTWILJS-FNYPPERVSA-N 1 3 329.444 0.263 20 30 ECEDHO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943778 757479349 /nfs/dbraw/zinc/47/93/49/757479349.db2.gz GMIMKVZMTWILJS-FNYPPERVSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943843 757479401 /nfs/dbraw/zinc/47/94/01/757479401.db2.gz HSNJIPPYFVVDES-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943843 757479405 /nfs/dbraw/zinc/47/94/05/757479405.db2.gz HSNJIPPYFVVDES-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1=O ZINC000996677576 758447570 /nfs/dbraw/zinc/44/75/70/758447570.db2.gz LGNXMZMGYBQGOQ-IRXDYDNUSA-N 1 3 348.491 0.694 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029977 766697218 /nfs/dbraw/zinc/69/72/18/766697218.db2.gz HDILDOQODPLFLE-ROUUACIJSA-N 1 3 330.476 0.180 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035076 766717548 /nfs/dbraw/zinc/71/75/48/766717548.db2.gz CWJAJTWDFCURQB-ROUUACIJSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035076 766717558 /nfs/dbraw/zinc/71/75/58/766717558.db2.gz CWJAJTWDFCURQB-ROUUACIJSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035075 766717798 /nfs/dbraw/zinc/71/77/98/766717798.db2.gz CWJAJTWDFCURQB-QZTJIDSGSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035075 766717807 /nfs/dbraw/zinc/71/78/07/766717807.db2.gz CWJAJTWDFCURQB-QZTJIDSGSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001046040256 766746814 /nfs/dbraw/zinc/74/68/14/766746814.db2.gz AKQXOFWNWSFHPO-RTBURBONSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040256 766746816 /nfs/dbraw/zinc/74/68/16/766746816.db2.gz AKQXOFWNWSFHPO-RTBURBONSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054638 766801795 /nfs/dbraw/zinc/80/17/95/766801795.db2.gz BAIKWWCUIREPRK-RBUKOAKNSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054638 766801805 /nfs/dbraw/zinc/80/18/05/766801805.db2.gz BAIKWWCUIREPRK-RBUKOAKNSA-N 1 3 346.519 0.960 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075922 766900235 /nfs/dbraw/zinc/90/02/35/766900235.db2.gz IHNNSQLLQFUYIZ-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075922 766900244 /nfs/dbraw/zinc/90/02/44/766900244.db2.gz IHNNSQLLQFUYIZ-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275504 783780603 /nfs/dbraw/zinc/78/06/03/783780603.db2.gz PPEWHZKQJCLZDB-XHSDSOJGSA-N 1 3 332.452 0.538 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)[C@@H]2C)CC1 ZINC001075128600 788946116 /nfs/dbraw/zinc/94/61/16/788946116.db2.gz KXRDCOQCBRYSNS-XIRDDKMYSA-N 1 3 346.475 0.189 20 30 ECEDHO CC(C)(C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1)N1CCCCC1 ZINC001266409941 835814779 /nfs/dbraw/zinc/81/47/79/835814779.db2.gz UWIZZMIUKMAJLC-OAHLLOKOSA-N 1 3 349.479 0.375 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(C)C)C2)CC1 ZINC001267026302 836644330 /nfs/dbraw/zinc/64/43/30/836644330.db2.gz LGCJNOLFRAKRGP-INIZCTEOSA-N 1 3 334.464 0.047 20 30 ECEDHO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(CC(C)C)CC1 ZINC000262768642 278167968 /nfs/dbraw/zinc/16/79/68/278167968.db2.gz GWMJMESOCRVPKB-QGZVFWFLSA-N 1 3 336.528 0.225 20 30 ECEDHO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249276512 436818011 /nfs/dbraw/zinc/81/80/11/436818011.db2.gz KBSXBWMLAOTSFC-GJZGRUSLSA-N 1 3 340.468 0.725 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000130571903 436837947 /nfs/dbraw/zinc/83/79/47/436837947.db2.gz JLWCXWHAGHGJBG-UHFFFAOYSA-N 1 3 349.410 0.588 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267627147 437330149 /nfs/dbraw/zinc/33/01/49/437330149.db2.gz IYOGDYSVQMNCDZ-ZDUSSCGKSA-N 1 3 330.436 0.718 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000343906659 437691049 /nfs/dbraw/zinc/69/10/49/437691049.db2.gz HPOGRQDRPRAEBI-YOEHRIQHSA-N 1 3 348.491 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000419734553 438369284 /nfs/dbraw/zinc/36/92/84/438369284.db2.gz VDBNVSMHMKHEFR-INIZCTEOSA-N 1 3 336.480 0.744 20 30 ECEDHO CN(CC1C[NH+](C)C1)c1ccc(C#N)c(N(C)CC2CN(C)C2)n1 ZINC000596454736 438964889 /nfs/dbraw/zinc/96/48/89/438964889.db2.gz UAWRUZLYSQFCFO-UHFFFAOYSA-N 1 3 328.464 0.949 20 30 ECEDHO C#CCNC(=O)CCN(C)[C@@H]1CCC[N@H+](CCC(=O)NCC#C)CC1 ZINC000491425578 439380439 /nfs/dbraw/zinc/38/04/39/439380439.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 1 3 346.475 0.052 20 30 ECEDHO C#CCNC(=O)CCN(C)[C@@H]1CCC[N@@H+](CCC(=O)NCC#C)CC1 ZINC000491425578 439380440 /nfs/dbraw/zinc/38/04/40/439380440.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 1 3 346.475 0.052 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000342977440 546087980 /nfs/dbraw/zinc/08/79/80/546087980.db2.gz ORLWZOKVMQJGOB-OAHLLOKOSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(CNC(=O)[C@@H](C(C)C)N(C)C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000620748488 546451353 /nfs/dbraw/zinc/45/13/53/546451353.db2.gz SJDFWEWHIQNOJM-HZPDHXFCSA-N 1 3 340.512 0.947 20 30 ECEDHO CC(C)[C@@H](C(=O)NCC#CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC000681339273 549250196 /nfs/dbraw/zinc/25/01/96/549250196.db2.gz MSSQAMQMWRDZNX-HOTGVXAUSA-N 1 3 338.496 0.395 20 30 ECEDHO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732558939 578327368 /nfs/dbraw/zinc/32/73/68/578327368.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 1 3 332.492 0.711 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642821 590881825 /nfs/dbraw/zinc/88/18/25/590881825.db2.gz REICUWOWSSUOLV-JKSUJKDBSA-N 1 3 334.464 0.496 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000170909020 609754394 /nfs/dbraw/zinc/75/43/94/609754394.db2.gz HTNCDWBRGIJQRF-CYBMUJFWSA-N 1 3 343.431 0.671 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225242 733068787 /nfs/dbraw/zinc/06/87/87/733068787.db2.gz RIKSHKGECIWBRN-JKSUJKDBSA-N 1 3 348.491 0.485 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026040885 740326787 /nfs/dbraw/zinc/32/67/87/740326787.db2.gz SVYAEENSVQXUIM-RNGZQALNSA-N 1 3 346.475 0.304 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026040885 740326792 /nfs/dbraw/zinc/32/67/92/740326792.db2.gz SVYAEENSVQXUIM-RNGZQALNSA-N 1 3 346.475 0.304 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064405 741273391 /nfs/dbraw/zinc/27/33/91/741273391.db2.gz NHKWLYPYIPWHIU-HZPDHXFCSA-N 1 3 338.496 0.703 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026889506 742029241 /nfs/dbraw/zinc/02/92/41/742029241.db2.gz XKGKSMNPLQDQKM-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455658 751817524 /nfs/dbraw/zinc/81/75/24/751817524.db2.gz HTLYCPPOCFNNBA-GVDBMIGSSA-N 1 3 339.480 0.879 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079857 745248562 /nfs/dbraw/zinc/24/85/62/745248562.db2.gz BXVJUTPBTNUGKQ-SJORKVTESA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977633 745946861 /nfs/dbraw/zinc/94/68/61/745946861.db2.gz RMVJWQOSLFVVFW-TVRKMHQQSA-N 1 3 329.444 0.621 20 30 ECEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977633 745946863 /nfs/dbraw/zinc/94/68/63/745946863.db2.gz RMVJWQOSLFVVFW-TVRKMHQQSA-N 1 3 329.444 0.621 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001000991117 745956638 /nfs/dbraw/zinc/95/66/38/745956638.db2.gz GQELTNUIPONSJG-KRWDZBQOSA-N 1 3 343.475 0.846 20 30 ECEDHO CC#CCN1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001926774 746811282 /nfs/dbraw/zinc/81/12/82/746811282.db2.gz ZMEQCYQYUUZMHG-UHFFFAOYSA-N 1 3 331.464 0.910 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000305776325 748401261 /nfs/dbraw/zinc/40/12/61/748401261.db2.gz OJMUTBADGPCNAB-MCIONIFRSA-N 1 3 325.457 0.011 20 30 ECEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001088350311 748871932 /nfs/dbraw/zinc/87/19/32/748871932.db2.gz UJJFGNNXEDUVGL-VIHIWDAPSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254143 749260748 /nfs/dbraw/zinc/26/07/48/749260748.db2.gz MRUSXDCFXRDYGD-BRWVUGGUSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254143 749260752 /nfs/dbraw/zinc/26/07/52/749260752.db2.gz MRUSXDCFXRDYGD-BRWVUGGUSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC000989828175 754496488 /nfs/dbraw/zinc/49/64/88/754496488.db2.gz ARQHNDBGODVQCS-WBVHZDCISA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345316 754763248 /nfs/dbraw/zinc/76/32/48/754763248.db2.gz PDZSVBPUNFCFQB-OAHLLOKOSA-N 1 3 338.496 0.893 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996671073 758433647 /nfs/dbraw/zinc/43/36/47/758433647.db2.gz LREDLNWOXIFAJD-DZGCQCFKSA-N 1 3 334.464 0.032 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031848 766702244 /nfs/dbraw/zinc/70/22/44/766702244.db2.gz AKOGVYDIFVLQTC-GBESFXJTSA-N 1 3 346.519 0.959 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031848 766702246 /nfs/dbraw/zinc/70/22/46/766702246.db2.gz AKOGVYDIFVLQTC-GBESFXJTSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016740839 766827209 /nfs/dbraw/zinc/82/72/09/766827209.db2.gz PKBQQTXOVWFOBB-MUZJZNNISA-N 1 3 343.471 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001016984100 767437998 /nfs/dbraw/zinc/43/79/98/767437998.db2.gz CQHLDPGALBYPRA-WBVHZDCISA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)CC1 ZINC001016985071 767439176 /nfs/dbraw/zinc/43/91/76/767439176.db2.gz JDVGGVWPWYOGGK-KRWDZBQOSA-N 1 3 333.476 0.685 20 30 ECEDHO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168689 767764922 /nfs/dbraw/zinc/76/49/22/767764922.db2.gz GZZZUWDATWUMDQ-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168689 767764925 /nfs/dbraw/zinc/76/49/25/767764925.db2.gz GZZZUWDATWUMDQ-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019000874 770532278 /nfs/dbraw/zinc/53/22/78/770532278.db2.gz VNXXRZKWMWKHCA-JYJNAYRXSA-N 1 3 336.480 0.550 20 30 ECEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489307 781619189 /nfs/dbraw/zinc/61/91/89/781619189.db2.gz SWQLZAKDXRDUEA-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489307 781619191 /nfs/dbraw/zinc/61/91/91/781619191.db2.gz SWQLZAKDXRDUEA-OWODTTCDSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645152 784490036 /nfs/dbraw/zinc/49/00/36/784490036.db2.gz LWIHPGGHSRKJPE-BRWVUGGUSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645152 784490041 /nfs/dbraw/zinc/49/00/41/784490041.db2.gz LWIHPGGHSRKJPE-BRWVUGGUSA-N 1 3 343.475 0.810 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654196 784504422 /nfs/dbraw/zinc/50/44/22/784504422.db2.gz ANBKOFQINAWYKP-ZACQAIPSSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654196 784504426 /nfs/dbraw/zinc/50/44/26/784504426.db2.gz ANBKOFQINAWYKP-ZACQAIPSSA-N 1 3 343.475 0.812 20 30 ECEDHO C#CCNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569385 837794733 /nfs/dbraw/zinc/79/47/33/837794733.db2.gz UHSPCXJAQBPGKV-HOTGVXAUSA-N 1 3 346.475 0.048 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266703855 836170408 /nfs/dbraw/zinc/17/04/08/836170408.db2.gz OJYGQPJZUGLPPG-HZPDHXFCSA-N 1 3 338.496 0.799 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266703855 836170415 /nfs/dbraw/zinc/17/04/15/836170415.db2.gz OJYGQPJZUGLPPG-HZPDHXFCSA-N 1 3 338.496 0.799 20 30 ECEDHO COC[C@H](C)NC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000304807902 293017663 /nfs/dbraw/zinc/01/76/63/293017663.db2.gz UCZRCVCZDFSLMB-HNNXBMFYSA-N 1 3 325.501 0.876 20 30 ECEDHO CN(C)C1CN(c2cc(N3CC([NH+](C)C)C3)cc(C#N)c2[N+](=O)[O-])C1 ZINC000273329022 436745995 /nfs/dbraw/zinc/74/59/95/436745995.db2.gz QUKLLYKGTQWCBH-UHFFFAOYSA-N 1 3 344.419 0.967 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149372 437018333 /nfs/dbraw/zinc/01/83/33/437018333.db2.gz YSDGOMGYWGIYMJ-HNNXBMFYSA-N 1 3 347.463 0.814 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000343737075 437643489 /nfs/dbraw/zinc/64/34/89/437643489.db2.gz HYKURBXDVORABX-HIFRSBDPSA-N 1 3 334.464 0.494 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340831186 437748688 /nfs/dbraw/zinc/74/86/88/437748688.db2.gz SYUKZGNKBPDORA-SJORKVTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340831186 437748691 /nfs/dbraw/zinc/74/86/91/437748691.db2.gz SYUKZGNKBPDORA-SJORKVTESA-N 1 3 348.491 0.886 20 30 ECEDHO N#CCCC[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000424191730 437901451 /nfs/dbraw/zinc/90/14/51/437901451.db2.gz HWHJYFARWABXKL-HNNXBMFYSA-N 1 3 345.447 0.930 20 30 ECEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000578006805 438887794 /nfs/dbraw/zinc/88/77/94/438887794.db2.gz UEWGHRBRFJDOFJ-FGTMMUONSA-N 1 3 338.496 0.550 20 30 ECEDHO C=CCNC(=O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000573932836 439675696 /nfs/dbraw/zinc/67/56/96/439675696.db2.gz OVWHBPYPEQRYGT-UHFFFAOYSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652692560 439922751 /nfs/dbraw/zinc/92/27/51/439922751.db2.gz XTMVULNOFDMOES-UHFFFAOYSA-N 1 3 344.459 0.789 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000627371657 440159854 /nfs/dbraw/zinc/15/98/54/440159854.db2.gz MZVKJPFMFBOUFO-XHSDSOJGSA-N 1 3 336.480 0.668 20 30 ECEDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000561327579 322259330 /nfs/dbraw/zinc/25/93/30/322259330.db2.gz VDSFYUYBCBOJKK-HNNXBMFYSA-N 1 3 341.463 0.964 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CCC)C2)CC1 ZINC000668835452 547762373 /nfs/dbraw/zinc/76/23/73/547762373.db2.gz ATPUWBHMCWGFIK-INIZCTEOSA-N 1 3 336.480 0.744 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883713563 590655016 /nfs/dbraw/zinc/65/50/16/590655016.db2.gz QQJNRQYMOWIIQD-KRWDZBQOSA-N 1 3 336.480 0.884 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884642205 590881644 /nfs/dbraw/zinc/88/16/44/590881644.db2.gz CVJQPYBBKHGSMG-OAHLLOKOSA-N 1 3 336.480 0.647 20 30 ECEDHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000931488446 611544999 /nfs/dbraw/zinc/54/49/99/611544999.db2.gz SSIZRCVLFSWTDZ-MRXNPFEDSA-N 1 3 333.432 0.686 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095622 611852068 /nfs/dbraw/zinc/85/20/68/611852068.db2.gz SUTGXIZLKWRWFM-DLBZAZTESA-N 1 3 349.475 0.729 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095622 611852071 /nfs/dbraw/zinc/85/20/71/611852071.db2.gz SUTGXIZLKWRWFM-DLBZAZTESA-N 1 3 349.475 0.729 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721226 732082696 /nfs/dbraw/zinc/08/26/96/732082696.db2.gz CAERKXBMOAJLKM-NXOAAHMSSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721226 732082701 /nfs/dbraw/zinc/08/27/01/732082701.db2.gz CAERKXBMOAJLKM-NXOAAHMSSA-N 1 3 348.491 0.694 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291740 734005987 /nfs/dbraw/zinc/00/59/87/734005987.db2.gz SQUHUHYKAFNUPU-KYJSFNMBSA-N 1 3 348.491 0.150 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104936318 740969380 /nfs/dbraw/zinc/96/93/80/740969380.db2.gz OCKKXFVCBJMVCV-HZPDHXFCSA-N 1 3 338.496 0.705 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996675352 758443143 /nfs/dbraw/zinc/44/31/43/758443143.db2.gz XXCHODGPRKQWHM-HZPDHXFCSA-N 1 3 346.475 0.047 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778883 758642071 /nfs/dbraw/zinc/64/20/71/758642071.db2.gz HMESXJDPOMIXLD-WBVHZDCISA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778883 758642076 /nfs/dbraw/zinc/64/20/76/758642076.db2.gz HMESXJDPOMIXLD-WBVHZDCISA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779293 758645358 /nfs/dbraw/zinc/64/53/58/758645358.db2.gz KXDBRWLHNXPNOS-NVXWUHKLSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779293 758645363 /nfs/dbraw/zinc/64/53/63/758645363.db2.gz KXDBRWLHNXPNOS-NVXWUHKLSA-N 1 3 346.406 0.766 20 30 ECEDHO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037206 763654063 /nfs/dbraw/zinc/65/40/63/763654063.db2.gz HIFXCVQRSFUVBB-OALUTQOASA-N 1 3 344.503 0.879 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039273 766742432 /nfs/dbraw/zinc/74/24/32/766742432.db2.gz OVDAAJLKULVXIL-GOSISDBHSA-N 1 3 344.503 0.714 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046043201 766761009 /nfs/dbraw/zinc/76/10/09/766761009.db2.gz YAVTVJTZCFLBHF-GOSISDBHSA-N 1 3 344.503 0.857 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064217 766841270 /nfs/dbraw/zinc/84/12/70/766841270.db2.gz IJXBRTSPEZVHSV-KRWDZBQOSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064217 766841281 /nfs/dbraw/zinc/84/12/81/766841281.db2.gz IJXBRTSPEZVHSV-KRWDZBQOSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064358 766844305 /nfs/dbraw/zinc/84/43/05/766844305.db2.gz LMWXOFJDAYOZCC-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064358 766844315 /nfs/dbraw/zinc/84/43/15/766844315.db2.gz LMWXOFJDAYOZCC-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845215 /nfs/dbraw/zinc/84/52/15/766845215.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845225 /nfs/dbraw/zinc/84/52/25/766845225.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260295 766924809 /nfs/dbraw/zinc/92/48/09/766924809.db2.gz AYIPGNWUCBUKRN-DLBZAZTESA-N 1 3 348.491 0.767 20 30 ECEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260295 766924814 /nfs/dbraw/zinc/92/48/14/766924814.db2.gz AYIPGNWUCBUKRN-DLBZAZTESA-N 1 3 348.491 0.767 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000993855926 769765826 /nfs/dbraw/zinc/76/58/26/769765826.db2.gz WAZQCZQZILKJJJ-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993855926 769765834 /nfs/dbraw/zinc/76/58/34/769765834.db2.gz WAZQCZQZILKJJJ-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001019814039 771829300 /nfs/dbraw/zinc/82/93/00/771829300.db2.gz QYOUGDOPWZKVIT-IRXDYDNUSA-N 1 3 346.475 0.143 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494742 784189004 /nfs/dbraw/zinc/18/90/04/784189004.db2.gz GKSFPONOIMIOFN-PNBKFKSVSA-N 1 3 331.464 0.830 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494742 784189006 /nfs/dbraw/zinc/18/90/06/784189006.db2.gz GKSFPONOIMIOFN-PNBKFKSVSA-N 1 3 331.464 0.830 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689624 784556363 /nfs/dbraw/zinc/55/63/63/784556363.db2.gz IAZLTZNWJOXZII-ARFHVFGLSA-N 1 3 331.464 0.832 20 30 ECEDHO C#CCCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227873 784786188 /nfs/dbraw/zinc/78/61/88/784786188.db2.gz LIOOYOYHCHEKKD-VQIMIIECSA-N 1 3 331.460 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)CC1 ZINC001072680501 788582306 /nfs/dbraw/zinc/58/23/06/788582306.db2.gz WLYRRZJETBDZPD-WBVHZDCISA-N 1 3 348.491 0.246 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444764 835848328 /nfs/dbraw/zinc/84/83/28/835848328.db2.gz DQIHCDSDUUQNBR-IRXDYDNUSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001266880529 836427552 /nfs/dbraw/zinc/42/75/52/836427552.db2.gz LIWMBWWLBCEUPP-HZPDHXFCSA-N 1 3 336.480 0.437 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001266903239 836458388 /nfs/dbraw/zinc/45/83/88/836458388.db2.gz NAJPVOBEXUWABX-DMRKSPOLSA-N 1 3 348.491 0.406 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001266903239 836458392 /nfs/dbraw/zinc/45/83/92/836458392.db2.gz NAJPVOBEXUWABX-DMRKSPOLSA-N 1 3 348.491 0.406 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NCC=C)C2)CC1 ZINC001267026513 836645670 /nfs/dbraw/zinc/64/56/70/836645670.db2.gz OXUNBBRAGVHOLT-WBVHZDCISA-N 1 3 346.475 0.213 20 30 ECEDHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1 ZINC001267920628 838795812 /nfs/dbraw/zinc/79/58/12/838795812.db2.gz ASLDNHDFLVVENE-UHFFFAOYSA-N 1 3 337.468 0.185 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000130548993 436838231 /nfs/dbraw/zinc/83/82/31/436838231.db2.gz WKRCYJVRANQVMT-UHFFFAOYSA-N 1 3 349.410 0.588 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000289348281 437403779 /nfs/dbraw/zinc/40/37/79/437403779.db2.gz FVPYYXBIWGHZMR-AWEZNQCLSA-N 1 3 327.473 0.202 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000343735971 437640053 /nfs/dbraw/zinc/64/00/53/437640053.db2.gz HCWIKBMVURWCAW-OAHLLOKOSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000343735971 437640056 /nfs/dbraw/zinc/64/00/56/437640056.db2.gz HCWIKBMVURWCAW-OAHLLOKOSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000343769159 437650836 /nfs/dbraw/zinc/65/08/36/437650836.db2.gz SGSAIYXAZMBKQL-INIZCTEOSA-N 1 3 348.491 0.886 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000343769159 437650840 /nfs/dbraw/zinc/65/08/40/437650840.db2.gz SGSAIYXAZMBKQL-INIZCTEOSA-N 1 3 348.491 0.886 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000377751912 438326723 /nfs/dbraw/zinc/32/67/23/438326723.db2.gz YRCJPXVPUCLTSO-GOSISDBHSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000377751912 438326729 /nfs/dbraw/zinc/32/67/29/438326729.db2.gz YRCJPXVPUCLTSO-GOSISDBHSA-N 1 3 332.492 0.570 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)CC1 ZINC000563382174 438863902 /nfs/dbraw/zinc/86/39/02/438863902.db2.gz DRRSCDYIIVBDLI-UHFFFAOYSA-N 1 3 347.507 0.850 20 30 ECEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000578006808 438887625 /nfs/dbraw/zinc/88/76/25/438887625.db2.gz UEWGHRBRFJDOFJ-SQNIBIBYSA-N 1 3 338.496 0.550 20 30 ECEDHO CN(CCC#N)C[C@H](O)CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000518172002 438989971 /nfs/dbraw/zinc/98/99/71/438989971.db2.gz LPGPGOIECNMUQW-RTBURBONSA-N 1 3 346.475 0.549 20 30 ECEDHO CN(CCC#N)C[C@H](O)CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000518172002 438989975 /nfs/dbraw/zinc/98/99/75/438989975.db2.gz LPGPGOIECNMUQW-RTBURBONSA-N 1 3 346.475 0.549 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000570147680 439395223 /nfs/dbraw/zinc/39/52/23/439395223.db2.gz HQOJRYKHRDFBML-IBGZPJMESA-N 1 3 348.491 0.745 20 30 ECEDHO C#CCN(C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000491678554 439426554 /nfs/dbraw/zinc/42/65/54/439426554.db2.gz BQOMWDXEQFQALR-UHFFFAOYSA-N 1 3 336.480 0.886 20 30 ECEDHO C#CCC[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000798396032 578645026 /nfs/dbraw/zinc/64/50/26/578645026.db2.gz ROSIXYHBYWHXDA-QGZVFWFLSA-N 1 3 336.480 0.619 20 30 ECEDHO C#CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000843245298 589055357 /nfs/dbraw/zinc/05/53/57/589055357.db2.gz AGMWSGYKVKBONU-INIZCTEOSA-N 1 3 336.480 0.200 20 30 ECEDHO N#Cc1ccc([C@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003256 587464119 /nfs/dbraw/zinc/46/41/19/587464119.db2.gz CNTGEUIPBONTPH-DLBZAZTESA-N 1 3 330.432 0.769 20 30 ECEDHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000863750221 590033668 /nfs/dbraw/zinc/03/36/68/590033668.db2.gz AHSWVTRBOCDGTA-CQSZACIVSA-N 1 3 345.447 0.254 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182716 590279151 /nfs/dbraw/zinc/27/91/51/590279151.db2.gz WNLMRPXTEXNBNG-GOEBONIOSA-N 1 3 334.464 0.306 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182716 590279153 /nfs/dbraw/zinc/27/91/53/590279153.db2.gz WNLMRPXTEXNBNG-GOEBONIOSA-N 1 3 334.464 0.306 20 30 ECEDHO C#CCN1CCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879248661 590574071 /nfs/dbraw/zinc/57/40/71/590574071.db2.gz WQIOVEQCWJIADQ-UHFFFAOYSA-N 1 3 332.492 0.572 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199331 590771548 /nfs/dbraw/zinc/77/15/48/590771548.db2.gz WPZBPMWVNIKHPZ-ROUUACIJSA-N 1 3 349.523 0.657 20 30 ECEDHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886059849 590789113 /nfs/dbraw/zinc/78/91/13/590789113.db2.gz MSQKSCSMYUFYTB-MRXNPFEDSA-N 1 3 336.480 0.821 20 30 ECEDHO COCCN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884450808 590832504 /nfs/dbraw/zinc/83/25/04/590832504.db2.gz UHUUIJIAFHWWJM-HFCFLWKCSA-N 1 3 348.491 0.943 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180947 611523598 /nfs/dbraw/zinc/52/35/98/611523598.db2.gz SONUGVFVSXWKNV-XSYGEPLQSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180947 611523600 /nfs/dbraw/zinc/52/36/00/611523600.db2.gz SONUGVFVSXWKNV-XSYGEPLQSA-N 1 3 347.503 0.928 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000929399866 611751213 /nfs/dbraw/zinc/75/12/13/611751213.db2.gz WKHQYKYRWQERHH-MRXNPFEDSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001078227076 782523893 /nfs/dbraw/zinc/52/38/93/782523893.db2.gz HZXBFZUPLSVYAO-QZTJIDSGSA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001078227076 782523906 /nfs/dbraw/zinc/52/39/06/782523906.db2.gz HZXBFZUPLSVYAO-QZTJIDSGSA-N 1 3 347.503 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149317 740424886 /nfs/dbraw/zinc/42/48/86/740424886.db2.gz HGZGKWPKLSMPGI-IKLKHMQRSA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149317 740424888 /nfs/dbraw/zinc/42/48/88/740424888.db2.gz HGZGKWPKLSMPGI-IKLKHMQRSA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)CC1 ZINC001105060667 741269729 /nfs/dbraw/zinc/26/97/29/741269729.db2.gz OZCLHRKXJCUBEW-NVXWUHKLSA-N 1 3 348.491 0.152 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326806 741805900 /nfs/dbraw/zinc/80/59/00/741805900.db2.gz GZMKCSOIWHDXDB-PBHICJAKSA-N 1 3 346.479 0.915 20 30 ECEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326806 741805905 /nfs/dbraw/zinc/80/59/05/741805905.db2.gz GZMKCSOIWHDXDB-PBHICJAKSA-N 1 3 346.479 0.915 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000997875146 743863101 /nfs/dbraw/zinc/86/31/01/743863101.db2.gz WJVANGUCNUXXAC-HOTGVXAUSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@H](C)C(N)=O)CC2)CC1 ZINC000985803745 749137748 /nfs/dbraw/zinc/13/77/48/749137748.db2.gz JAKMEOKEXKXVQH-CQSZACIVSA-N 1 3 334.464 0.128 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@H](C)C(N)=O)CC2)CC1 ZINC000985803745 749137755 /nfs/dbraw/zinc/13/77/55/749137755.db2.gz JAKMEOKEXKXVQH-CQSZACIVSA-N 1 3 334.464 0.128 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@H]3CCNC3=O)CC2)CC1 ZINC000985805247 749140359 /nfs/dbraw/zinc/14/03/59/749140359.db2.gz VOWFGKMPQYUQMR-KRWDZBQOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)CC1 ZINC000985805247 749140368 /nfs/dbraw/zinc/14/03/68/749140368.db2.gz VOWFGKMPQYUQMR-KRWDZBQOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254144 749260528 /nfs/dbraw/zinc/26/05/28/749260528.db2.gz MRUSXDCFXRDYGD-GVDBMIGSSA-N 1 3 346.475 0.034 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254144 749260532 /nfs/dbraw/zinc/26/05/32/749260532.db2.gz MRUSXDCFXRDYGD-GVDBMIGSSA-N 1 3 346.475 0.034 20 30 ECEDHO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904136 749534463 /nfs/dbraw/zinc/53/44/63/749534463.db2.gz NYQCTWQAPBNEFB-SJORKVTESA-N 1 3 348.491 0.649 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904136 749534469 /nfs/dbraw/zinc/53/44/69/749534469.db2.gz NYQCTWQAPBNEFB-SJORKVTESA-N 1 3 348.491 0.649 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167835126 750466457 /nfs/dbraw/zinc/46/64/57/750466457.db2.gz AYTKCXPQACBJGN-HNNXBMFYSA-N 1 3 338.496 0.895 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672645 755786165 /nfs/dbraw/zinc/78/61/65/755786165.db2.gz CHTBPPGVPFTCAN-FPAYPSAMSA-N 1 3 335.492 0.926 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996671085 758434155 /nfs/dbraw/zinc/43/41/55/758434155.db2.gz LREDLNWOXIFAJD-UKRRQHHQSA-N 1 3 334.464 0.032 20 30 ECEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598931 760551472 /nfs/dbraw/zinc/55/14/72/760551472.db2.gz XSLUZPUWJNOXJN-KOHRHEQBSA-N 1 3 331.460 0.960 20 30 ECEDHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932010 763370706 /nfs/dbraw/zinc/37/07/06/763370706.db2.gz KGGDEGRYNSKQCB-KGLIPLIRSA-N 1 3 348.472 0.888 20 30 ECEDHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932010 763370714 /nfs/dbraw/zinc/37/07/14/763370714.db2.gz KGGDEGRYNSKQCB-KGLIPLIRSA-N 1 3 348.472 0.888 20 30 ECEDHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932012 763371261 /nfs/dbraw/zinc/37/12/61/763371261.db2.gz KGGDEGRYNSKQCB-ZIAGYGMSSA-N 1 3 348.472 0.888 20 30 ECEDHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932012 763371270 /nfs/dbraw/zinc/37/12/70/763371270.db2.gz KGGDEGRYNSKQCB-ZIAGYGMSSA-N 1 3 348.472 0.888 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC)C3)CC1 ZINC001047209751 763804226 /nfs/dbraw/zinc/80/42/26/763804226.db2.gz WUEIEHHVPCHHOF-JQHSSLGASA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC)C3)CC1 ZINC001047209751 763804234 /nfs/dbraw/zinc/80/42/34/763804234.db2.gz WUEIEHHVPCHHOF-JQHSSLGASA-N 1 3 333.476 0.947 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046043202 766760183 /nfs/dbraw/zinc/76/01/83/766760183.db2.gz YAVTVJTZCFLBHF-SFHVURJKSA-N 1 3 344.503 0.857 20 30 ECEDHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741452 766829340 /nfs/dbraw/zinc/82/93/40/766829340.db2.gz XABQLGOFBCYVAE-BWRBCVJASA-N 1 3 329.444 0.454 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CC=C)C3)CC2)CC1 ZINC001046085069 766925932 /nfs/dbraw/zinc/92/59/32/766925932.db2.gz DPHAZYVAHQPSGJ-IBGZPJMESA-N 1 3 344.503 0.736 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001046085069 766925934 /nfs/dbraw/zinc/92/59/34/766925934.db2.gz DPHAZYVAHQPSGJ-IBGZPJMESA-N 1 3 344.503 0.736 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907976 767104986 /nfs/dbraw/zinc/10/49/86/767104986.db2.gz KMZZGXXAAYWMJS-BZUAXINKSA-N 1 3 338.496 0.703 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325268 771158658 /nfs/dbraw/zinc/15/86/58/771158658.db2.gz RRVIHHAWQPYTLM-JKSUJKDBSA-N 1 3 334.464 0.306 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccnn2C)CC1 ZINC001045321358 775409063 /nfs/dbraw/zinc/40/90/63/775409063.db2.gz MOKYBKVYMZTBMW-SFHVURJKSA-N 1 3 343.475 0.846 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603970 786755258 /nfs/dbraw/zinc/75/52/58/786755258.db2.gz SWBVYMLKHVDVTQ-MRXNPFEDSA-N 1 3 349.479 0.842 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000794 /nfs/dbraw/zinc/00/07/94/787000794.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 1 3 349.475 0.633 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000801 /nfs/dbraw/zinc/00/08/01/787000801.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 1 3 349.475 0.633 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019263 /nfs/dbraw/zinc/01/92/63/787019263.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019274 /nfs/dbraw/zinc/01/92/74/787019274.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702712 838300399 /nfs/dbraw/zinc/30/03/99/838300399.db2.gz IJJQZDSDMZRZII-HOTGVXAUSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)CC1 ZINC000286388395 437091122 /nfs/dbraw/zinc/09/11/22/437091122.db2.gz DEHOKESJAUOPEX-UHFFFAOYSA-N 1 3 348.491 0.910 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nnc2n1CCCCC2 ZINC000303788817 437158067 /nfs/dbraw/zinc/15/80/67/437158067.db2.gz UTPUZHJSRTUGRV-AWEZNQCLSA-N 1 3 333.484 0.936 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343757528 437647958 /nfs/dbraw/zinc/64/79/58/437647958.db2.gz GHELJHKKONIQIE-GDBMZVCRSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343757528 437647964 /nfs/dbraw/zinc/64/79/64/437647964.db2.gz GHELJHKKONIQIE-GDBMZVCRSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000358124580 438159945 /nfs/dbraw/zinc/15/99/45/438159945.db2.gz HREVLFLSCKWQCX-UHFFFAOYSA-N 1 3 338.496 0.991 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000358124580 438159946 /nfs/dbraw/zinc/15/99/46/438159946.db2.gz HREVLFLSCKWQCX-UHFFFAOYSA-N 1 3 338.496 0.991 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000369280558 438448998 /nfs/dbraw/zinc/44/89/98/438448998.db2.gz RHQRZAGXIBHJKY-QGZVFWFLSA-N 1 3 346.519 0.959 20 30 ECEDHO C=CCN1CCC(NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000519632824 439048763 /nfs/dbraw/zinc/04/87/63/439048763.db2.gz LJYKTDWUIUHEDU-UHFFFAOYSA-N 1 3 345.451 0.658 20 30 ECEDHO CN1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)(N2CCOCC2)CC1 ZINC000598726757 439308250 /nfs/dbraw/zinc/30/82/50/439308250.db2.gz ARCWLEDRYNMAKK-MRXNPFEDSA-N 1 3 338.496 0.673 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491716235 439435558 /nfs/dbraw/zinc/43/55/58/439435558.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 1 3 349.523 0.753 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491716235 439435562 /nfs/dbraw/zinc/43/55/62/439435562.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 1 3 349.523 0.753 20 30 ECEDHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000595280887 439689797 /nfs/dbraw/zinc/68/97/97/439689797.db2.gz FCYSEUSFXSMKEK-AWEZNQCLSA-N 1 3 345.447 0.173 20 30 ECEDHO C=CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710995 439854632 /nfs/dbraw/zinc/85/46/32/439854632.db2.gz KPZGVHRJXXJESM-YJBOKZPZSA-N 1 3 336.480 0.744 20 30 ECEDHO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CNC[C@H]3C#N)cc2)CC1 ZINC000834490543 588903356 /nfs/dbraw/zinc/90/33/56/588903356.db2.gz VRNRKSDQVICABX-NVXWUHKLSA-N 1 3 327.432 0.670 20 30 ECEDHO CC(C)[NH+]1CCN(CCCC(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000900608038 586647345 /nfs/dbraw/zinc/64/73/45/586647345.db2.gz JNDXZAPLLZZRJP-UHFFFAOYSA-N 1 3 335.496 0.897 20 30 ECEDHO CC[NH+](CC)CCN(CCOC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884212684 590776739 /nfs/dbraw/zinc/77/67/39/590776739.db2.gz KWWIBKPKSBXGKQ-PQUAAJSLSA-N 1 3 336.480 0.943 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000884614752 590872624 /nfs/dbraw/zinc/87/26/24/590872624.db2.gz WVHVKBKQUQAWFC-JYJNAYRXSA-N 1 3 334.464 0.374 20 30 ECEDHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000104181855 591052968 /nfs/dbraw/zinc/05/29/68/591052968.db2.gz KGBIWZGTJSXVSP-UHFFFAOYSA-N 1 3 349.504 0.842 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492435 611435103 /nfs/dbraw/zinc/43/51/03/611435103.db2.gz XTFGDLSVFZNWCM-PBHICJAKSA-N 1 3 346.475 0.141 20 30 ECEDHO C#CCN(C(=O)C(=O)N(C)CCN1CCCC1)C1CC[NH+](C)CC1 ZINC000910887103 609773913 /nfs/dbraw/zinc/77/39/13/609773913.db2.gz ZNOHWFFHKICAGJ-UHFFFAOYSA-N 1 3 334.464 0.097 20 30 ECEDHO C#CCN(C(=O)C(=O)N(C)C[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000910888326 609774402 /nfs/dbraw/zinc/77/44/02/609774402.db2.gz YAIIHWDMQHUZLW-MRXNPFEDSA-N 1 3 334.464 0.095 20 30 ECEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969563246 731971619 /nfs/dbraw/zinc/97/16/19/731971619.db2.gz AIYPHJBTCSNEHD-HZPDHXFCSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815128 732404447 /nfs/dbraw/zinc/40/44/47/732404447.db2.gz RRVIHHAWQPYTLM-CVEARBPZSA-N 1 3 334.464 0.306 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001025168664 738752321 /nfs/dbraw/zinc/75/23/21/738752321.db2.gz SFMVVWKYBLEAJM-IAGOWNOFSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294767 734018959 /nfs/dbraw/zinc/01/89/59/734018959.db2.gz ZUVZSQVTVHQBFN-HZPDHXFCSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636304 736188024 /nfs/dbraw/zinc/18/80/24/736188024.db2.gz RRVWWLNYAFVWTH-CVEARBPZSA-N 1 3 336.480 0.483 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636308 736188481 /nfs/dbraw/zinc/18/84/81/736188481.db2.gz RRVWWLNYAFVWTH-HZPDHXFCSA-N 1 3 336.480 0.483 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985805250 749140436 /nfs/dbraw/zinc/14/04/36/749140436.db2.gz VOWFGKMPQYUQMR-QGZVFWFLSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985805250 749140442 /nfs/dbraw/zinc/14/04/42/749140442.db2.gz VOWFGKMPQYUQMR-QGZVFWFLSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)CC1 ZINC000980252809 749258929 /nfs/dbraw/zinc/25/89/29/749258929.db2.gz JGRMKBJSDMLRKB-KZNAEPCWSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)CC1 ZINC000980252809 749258934 /nfs/dbraw/zinc/25/89/34/749258934.db2.gz JGRMKBJSDMLRKB-KZNAEPCWSA-N 1 3 333.476 0.541 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672647 755786140 /nfs/dbraw/zinc/78/61/40/755786140.db2.gz CHTBPPGVPFTCAN-RWQQGDIJSA-N 1 3 335.492 0.926 20 30 ECEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001049065478 757856876 /nfs/dbraw/zinc/85/68/76/757856876.db2.gz TWDJYTDELDCNOM-YVSFHVDLSA-N 1 3 348.491 0.504 20 30 ECEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@H]3C2)C1=O ZINC001049065478 757856888 /nfs/dbraw/zinc/85/68/88/757856888.db2.gz TWDJYTDELDCNOM-YVSFHVDLSA-N 1 3 348.491 0.504 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049611040 758990974 /nfs/dbraw/zinc/99/09/74/758990974.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 1 3 343.471 0.938 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049611040 758990978 /nfs/dbraw/zinc/99/09/78/758990978.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 1 3 343.471 0.938 20 30 ECEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783256 /nfs/dbraw/zinc/78/32/56/764783256.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783265 /nfs/dbraw/zinc/78/32/65/764783265.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085819 766928291 /nfs/dbraw/zinc/92/82/91/766928291.db2.gz RMUNQHSHGOHHNE-RTBURBONSA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797076 769013018 /nfs/dbraw/zinc/01/30/18/769013018.db2.gz HOMUCSWWSHVUNP-IAGOWNOFSA-N 1 3 348.491 0.152 20 30 ECEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474341 771302547 /nfs/dbraw/zinc/30/25/47/771302547.db2.gz LEVPFGPQIWEISN-INIZCTEOSA-N 1 3 336.480 0.459 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369694 780159135 /nfs/dbraw/zinc/15/91/35/780159135.db2.gz ZZGZCRVYXHITNZ-SJLPKXTDSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369694 780159139 /nfs/dbraw/zinc/15/91/39/780159139.db2.gz ZZGZCRVYXHITNZ-SJLPKXTDSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263447 780936809 /nfs/dbraw/zinc/93/68/09/780936809.db2.gz UVRWHXLLIQTAAA-DLBZAZTESA-N 1 3 342.443 0.915 20 30 ECEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273937 780950487 /nfs/dbraw/zinc/95/04/87/780950487.db2.gz XPAQVJAINGUVKN-FGTMMUONSA-N 1 3 345.487 0.901 20 30 ECEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273937 780950494 /nfs/dbraw/zinc/95/04/94/780950494.db2.gz XPAQVJAINGUVKN-FGTMMUONSA-N 1 3 345.487 0.901 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266559549 835986807 /nfs/dbraw/zinc/98/68/07/835986807.db2.gz DPYKZRJBFXADCM-IRXDYDNUSA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266559549 835986815 /nfs/dbraw/zinc/98/68/15/835986815.db2.gz DPYKZRJBFXADCM-IRXDYDNUSA-N 1 3 348.491 0.719 20 30 ECEDHO CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001267391900 837339032 /nfs/dbraw/zinc/33/90/32/837339032.db2.gz UXNRINPWOIQEJR-HNNXBMFYSA-N 1 3 337.468 0.281 20 30 ECEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267820518 838610641 /nfs/dbraw/zinc/61/06/41/838610641.db2.gz GIIHTVHBUIYOMO-HZPDHXFCSA-N 1 3 336.480 0.485 20 30 ECEDHO COCC#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001267940095 838823350 /nfs/dbraw/zinc/82/33/50/838823350.db2.gz CTBITMNXXHQLEY-GOSISDBHSA-N 1 3 329.444 0.994 20 30 ECEDHO COCC#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001267940095 838823355 /nfs/dbraw/zinc/82/33/55/838823355.db2.gz CTBITMNXXHQLEY-GOSISDBHSA-N 1 3 329.444 0.994 20 30 ECEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267958199 838864333 /nfs/dbraw/zinc/86/43/33/838864333.db2.gz VOYIRUJVNZQLOL-HUUCEWRRSA-N 1 3 335.452 0.081 20 30 ECEDHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001267958199 838864340 /nfs/dbraw/zinc/86/43/40/838864340.db2.gz VOYIRUJVNZQLOL-HUUCEWRRSA-N 1 3 335.452 0.081 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000343905576 437691131 /nfs/dbraw/zinc/69/11/31/437691131.db2.gz GASMQLWREBQHLZ-UHFFFAOYSA-N 1 3 336.480 0.697 20 30 ECEDHO CN(C)CCN1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000345113619 437779642 /nfs/dbraw/zinc/77/96/42/437779642.db2.gz PTOINUTYIJEAMR-HNNXBMFYSA-N 1 3 337.468 0.090 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C#N)CCOC3)CC2)CC1 ZINC000572615425 439596650 /nfs/dbraw/zinc/59/66/50/439596650.db2.gz ZXYVNTZXHQAOLD-SFHVURJKSA-N 1 3 334.464 0.982 20 30 ECEDHO CN1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)(N2CCOCC2)CC1 ZINC000600735872 439697194 /nfs/dbraw/zinc/69/71/94/439697194.db2.gz MIQHRTYFXOIICS-INIZCTEOSA-N 1 3 336.480 0.427 20 30 ECEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@](C)(C#N)C3)CC2)CC1 ZINC000892522282 586271378 /nfs/dbraw/zinc/27/13/78/586271378.db2.gz WCOQDQBTAAXHAO-GOSISDBHSA-N 1 3 349.479 0.869 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000900592234 586645080 /nfs/dbraw/zinc/64/50/80/586645080.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000900592234 586645082 /nfs/dbraw/zinc/64/50/82/586645082.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000900592234 586645083 /nfs/dbraw/zinc/64/50/83/586645083.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000900592234 586645085 /nfs/dbraw/zinc/64/50/85/586645085.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 1 3 334.464 0.209 20 30 ECEDHO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CNC[C@@H]3C#N)CC2)c1 ZINC000844195464 589102277 /nfs/dbraw/zinc/10/22/77/589102277.db2.gz UFPAISKCHSYEOV-WMZOPIPTSA-N 1 3 341.459 0.735 20 30 ECEDHO N#Cc1ccc(CCN2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866711957 589761296 /nfs/dbraw/zinc/76/12/96/589761296.db2.gz PBTFXZSOXKATMG-YESZJQIVSA-N 1 3 326.400 0.968 20 30 ECEDHO CON=C(C(=O)N(CCN(C)C)CC[NH+](C)C)c1csc(N)n1 ZINC000874382982 590237029 /nfs/dbraw/zinc/23/70/29/590237029.db2.gz XVDPCANCZGGSGA-UHFFFAOYSA-N 1 3 342.469 0.028 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875182322 590279144 /nfs/dbraw/zinc/27/91/44/590279144.db2.gz KVIKEKDUQJCFLU-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182322 590279145 /nfs/dbraw/zinc/27/91/45/590279145.db2.gz KVIKEKDUQJCFLU-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000876841251 590418465 /nfs/dbraw/zinc/41/84/65/590418465.db2.gz NRIWAMTVZINXLP-ZJUUUORDSA-N 1 3 328.766 0.409 20 30 ECEDHO N#C[C@@H]1CNCC12CC(C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000884212593 590777275 /nfs/dbraw/zinc/77/72/75/590777275.db2.gz JDNQHYZATQMFIB-UPTPFMHGSA-N 1 3 346.475 0.887 20 30 ECEDHO N#C[C@@H]1CNCC12CC(C(=O)N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000884232836 590783749 /nfs/dbraw/zinc/78/37/49/590783749.db2.gz BOWAGOFGQVTUFQ-SWKXRBFHSA-N 1 3 325.416 0.870 20 30 ECEDHO C#CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841129 609951326 /nfs/dbraw/zinc/95/13/26/609951326.db2.gz BFIDFCUEVBNXER-DLBZAZTESA-N 1 3 334.464 0.589 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232946 733077395 /nfs/dbraw/zinc/07/73/95/733077395.db2.gz VFZGIJUNHBPWEU-HNNXBMFYSA-N 1 3 336.480 0.507 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346954 734482765 /nfs/dbraw/zinc/48/27/65/734482765.db2.gz MTZDYKRPMCSFJI-BZUAXINKSA-N 1 3 338.496 0.703 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC001023127856 736522977 /nfs/dbraw/zinc/52/29/77/736522977.db2.gz GTDOSSPZFNRLCN-RYQLBKOJSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001023128348 736523660 /nfs/dbraw/zinc/52/36/60/736523660.db2.gz ADJNEIGRGVZXGA-BBWFWOEESA-N 1 3 346.475 0.189 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001023128110 736523694 /nfs/dbraw/zinc/52/36/94/736523694.db2.gz PQTXHOGWYFIZPW-CALCHBBNSA-N 1 3 346.475 0.191 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001023128239 736523705 /nfs/dbraw/zinc/52/37/05/736523705.db2.gz VOZXQPUXAYVIAX-GNBUJSLZSA-N 1 3 345.487 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149318 740425061 /nfs/dbraw/zinc/42/50/61/740425061.db2.gz HGZGKWPKLSMPGI-XXQMMXQMSA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149318 740425063 /nfs/dbraw/zinc/42/50/63/740425063.db2.gz HGZGKWPKLSMPGI-XXQMMXQMSA-N 1 3 345.487 0.946 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326679 741809244 /nfs/dbraw/zinc/80/92/44/741809244.db2.gz BPTPVKOKTJYKME-CQSZACIVSA-N 1 3 332.452 0.811 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326679 741809250 /nfs/dbraw/zinc/80/92/50/741809250.db2.gz BPTPVKOKTJYKME-CQSZACIVSA-N 1 3 332.452 0.811 20 30 ECEDHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996795045 742875973 /nfs/dbraw/zinc/87/59/73/742875973.db2.gz ICBNEORUNJNPHW-AOCRQIFASA-N 1 3 347.507 0.897 20 30 ECEDHO C[N@H+]1CC[C@@H](CC(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996795045 742875983 /nfs/dbraw/zinc/87/59/83/742875983.db2.gz ICBNEORUNJNPHW-AOCRQIFASA-N 1 3 347.507 0.897 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001029004408 743162961 /nfs/dbraw/zinc/16/29/61/743162961.db2.gz WJEDCHBQYVSYPX-KRWDZBQOSA-N 1 3 343.475 0.666 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001029004408 743162966 /nfs/dbraw/zinc/16/29/66/743162966.db2.gz WJEDCHBQYVSYPX-KRWDZBQOSA-N 1 3 343.475 0.666 20 30 ECEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997228453 743375676 /nfs/dbraw/zinc/37/56/76/743375676.db2.gz KOWHSWZUTLJOBY-PSPFXIJKSA-N 1 3 331.460 0.700 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998273592 744092002 /nfs/dbraw/zinc/09/20/02/744092002.db2.gz KIGUMHCFUALQGT-KRWDZBQOSA-N 1 3 348.491 0.697 20 30 ECEDHO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536236 745366306 /nfs/dbraw/zinc/36/63/06/745366306.db2.gz YKOKYSQDXRWFJO-YJBOKZPZSA-N 1 3 330.432 0.820 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047397 747144718 /nfs/dbraw/zinc/14/47/18/747144718.db2.gz WXPFJDHLUFWCMV-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047397 747144724 /nfs/dbraw/zinc/14/47/24/747144724.db2.gz WXPFJDHLUFWCMV-PBIMCDDKSA-N 1 3 343.471 0.653 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001088430112 749194038 /nfs/dbraw/zinc/19/40/38/749194038.db2.gz HZCLLAQSOSUEFK-MRXNPFEDSA-N 1 3 334.464 0.178 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255159 749261253 /nfs/dbraw/zinc/26/12/53/749261253.db2.gz PBGGYSAIBNPSFJ-GUDVDZBRSA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255159 749261259 /nfs/dbraw/zinc/26/12/59/749261259.db2.gz PBGGYSAIBNPSFJ-GUDVDZBRSA-N 1 3 347.503 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccnn3C)[C@H]2C)CC1 ZINC000987574740 750976810 /nfs/dbraw/zinc/97/68/10/750976810.db2.gz GTVTYWHEVDTMPW-QAPCUYQASA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335465 754629124 /nfs/dbraw/zinc/62/91/24/754629124.db2.gz JXMCKJFKJYDNNC-INIZCTEOSA-N 1 3 348.491 0.486 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001076589858 756697123 /nfs/dbraw/zinc/69/71/23/756697123.db2.gz QIULSEJCZVDSKS-DOTOQJQBSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001076589858 756697125 /nfs/dbraw/zinc/69/71/25/756697125.db2.gz QIULSEJCZVDSKS-DOTOQJQBSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001048825245 757119886 /nfs/dbraw/zinc/11/98/86/757119886.db2.gz MRFWRFKRYLNVCV-HCXYKTFWSA-N 1 3 345.487 0.757 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001022711979 759025867 /nfs/dbraw/zinc/02/58/67/759025867.db2.gz HQOUPNMUUNEUDR-JONQDZQNSA-N 1 3 334.464 0.494 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCO)C3)CC1 ZINC001047208793 763803965 /nfs/dbraw/zinc/80/39/65/763803965.db2.gz MJKQCGZPDFTLPK-JQHSSLGASA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CC1 ZINC001047208793 763803974 /nfs/dbraw/zinc/80/39/74/763803974.db2.gz MJKQCGZPDFTLPK-JQHSSLGASA-N 1 3 333.476 0.683 20 30 ECEDHO C=CCCN1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107842 763887828 /nfs/dbraw/zinc/88/78/28/763887828.db2.gz HHAACMQWUKNJFA-QGZVFWFLSA-N 1 3 332.492 0.877 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085817 766927837 /nfs/dbraw/zinc/92/78/37/766927837.db2.gz RMUNQHSHGOHHNE-RBUKOAKNSA-N 1 3 346.519 0.959 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469680 771332260 /nfs/dbraw/zinc/33/22/60/771332260.db2.gz ILDCDSLVZGUMQH-DLBZAZTESA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070333629 783841369 /nfs/dbraw/zinc/84/13/69/783841369.db2.gz KVPLDNNKMIGQEU-CVEARBPZSA-N 1 3 332.452 0.682 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075394697 789321041 /nfs/dbraw/zinc/32/10/41/789321041.db2.gz FZHBGDFLGLDWDR-NVXWUHKLSA-N 1 3 330.432 0.961 20 30 ECEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001266370890 835783290 /nfs/dbraw/zinc/78/32/90/835783290.db2.gz NGVDKVSOGHAIED-ROUUACIJSA-N 1 3 345.487 0.949 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001266995300 836580484 /nfs/dbraw/zinc/58/04/84/836580484.db2.gz QRPDCUFGLUKLID-GJZGRUSLSA-N 1 3 344.459 0.594 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267044616 836671365 /nfs/dbraw/zinc/67/13/65/836671365.db2.gz KFZNLJNHQPCXCC-LSDHHAIUSA-N 1 3 334.464 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@@H]2CCN(CC=C)C2=O)CC1 ZINC001267116437 836811406 /nfs/dbraw/zinc/81/14/06/836811406.db2.gz AXPNFGXHEBFKMJ-QGZVFWFLSA-N 1 3 346.475 0.167 20 30 ECEDHO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596925 837902546 /nfs/dbraw/zinc/90/25/46/837902546.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 1 3 338.496 0.798 20 30 ECEDHO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596925 837902557 /nfs/dbraw/zinc/90/25/57/837902557.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 1 3 338.496 0.798 20 30 ECEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267820520 838610086 /nfs/dbraw/zinc/61/00/86/838610086.db2.gz GIIHTVHBUIYOMO-JKSUJKDBSA-N 1 3 336.480 0.485 20 30 ECEDHO C#CCN1CCC(C(=O)NC2(C[NH2+][C@H]3CCNC3=O)CCCC2)CC1 ZINC001267847499 838645835 /nfs/dbraw/zinc/64/58/35/838645835.db2.gz YHSUMHYUABLFFG-INIZCTEOSA-N 1 3 346.475 0.239 20 30 ECEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959953 266147044 /nfs/dbraw/zinc/14/70/44/266147044.db2.gz ZQHHCNMVLWANEU-GJZGRUSLSA-N 1 3 347.467 0.585 20 30 ECEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959953 266147047 /nfs/dbraw/zinc/14/70/47/266147047.db2.gz ZQHHCNMVLWANEU-GJZGRUSLSA-N 1 3 347.467 0.585 20 30 ECEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959952 266147897 /nfs/dbraw/zinc/14/78/97/266147897.db2.gz ZQHHCNMVLWANEU-CABCVRRESA-N 1 3 347.467 0.585 20 30 ECEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959952 266147900 /nfs/dbraw/zinc/14/79/00/266147900.db2.gz ZQHHCNMVLWANEU-CABCVRRESA-N 1 3 347.467 0.585 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000490818733 276783366 /nfs/dbraw/zinc/78/33/66/276783366.db2.gz ABQHMOBPXZTVPP-LJQANCHMSA-N 1 3 346.519 0.959 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270574327 436674810 /nfs/dbraw/zinc/67/48/10/436674810.db2.gz OECQKLRUMMUDPS-MRXNPFEDSA-N 1 3 348.495 0.911 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264081576 437015961 /nfs/dbraw/zinc/01/59/61/437015961.db2.gz IOKJMLQSJSJLTB-MRXNPFEDSA-N 1 3 346.479 0.807 20 30 ECEDHO C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264101898 437017477 /nfs/dbraw/zinc/01/74/77/437017477.db2.gz ONFHPFITEZLEHV-INIZCTEOSA-N 1 3 327.432 0.995 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114910 437017715 /nfs/dbraw/zinc/01/77/15/437017715.db2.gz SDSDFKOFIQFAPR-MRXNPFEDSA-N 1 3 331.464 0.734 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000264454311 437032717 /nfs/dbraw/zinc/03/27/17/437032717.db2.gz ZIFMENGOLVUXFJ-UHFFFAOYSA-N 1 3 334.464 0.520 20 30 ECEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCN2CC)CC1 ZINC000303694178 437154805 /nfs/dbraw/zinc/15/48/05/437154805.db2.gz CQNQIUVDNUIRNI-AWEZNQCLSA-N 1 3 325.457 0.996 20 30 ECEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494704 437215562 /nfs/dbraw/zinc/21/55/62/437215562.db2.gz BXBCTKVEFBARSH-CQSZACIVSA-N 1 3 333.440 0.024 20 30 ECEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494704 437215565 /nfs/dbraw/zinc/21/55/65/437215565.db2.gz BXBCTKVEFBARSH-CQSZACIVSA-N 1 3 333.440 0.024 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000343765285 437649417 /nfs/dbraw/zinc/64/94/17/437649417.db2.gz MUXHOCMIWVHWSP-HNNXBMFYSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000343765285 437649423 /nfs/dbraw/zinc/64/94/23/437649423.db2.gz MUXHOCMIWVHWSP-HNNXBMFYSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340507938 437678328 /nfs/dbraw/zinc/67/83/28/437678328.db2.gz HGLCYXPTCWWRBB-AWEZNQCLSA-N 1 3 334.464 0.354 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340507938 437678333 /nfs/dbraw/zinc/67/83/33/437678333.db2.gz HGLCYXPTCWWRBB-AWEZNQCLSA-N 1 3 334.464 0.354 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000343933378 437700022 /nfs/dbraw/zinc/70/00/22/437700022.db2.gz ZPUNPLCIAQBNRB-INIZCTEOSA-N 1 3 336.480 0.744 20 30 ECEDHO N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000424191733 437903122 /nfs/dbraw/zinc/90/31/22/437903122.db2.gz HWHJYFARWABXKL-OAHLLOKOSA-N 1 3 345.447 0.930 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000419567394 438362966 /nfs/dbraw/zinc/36/29/66/438362966.db2.gz ILLZYBFFRGBBCU-BZUAXINKSA-N 1 3 336.480 0.607 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C(C)C ZINC000419567683 438363467 /nfs/dbraw/zinc/36/34/67/438363467.db2.gz JACAQASBGJRTKF-CVEARBPZSA-N 1 3 336.480 0.608 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419727546 438369948 /nfs/dbraw/zinc/36/99/48/438369948.db2.gz LQXMTGNBDAVEBI-HOCLYGCPSA-N 1 3 336.480 0.729 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000491392144 439374972 /nfs/dbraw/zinc/37/49/72/439374972.db2.gz AFHQAENMYUCLTE-IAGOWNOFSA-N 1 3 336.480 0.619 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653392939 440149654 /nfs/dbraw/zinc/14/96/54/440149654.db2.gz OICDTJMNGRSIME-UHFFFAOYSA-N 1 3 336.480 0.697 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000653392581 440150554 /nfs/dbraw/zinc/15/05/54/440150554.db2.gz GNVLGQLMJGFPSL-UHFFFAOYSA-N 1 3 338.496 0.847 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000653392581 440150560 /nfs/dbraw/zinc/15/05/60/440150560.db2.gz GNVLGQLMJGFPSL-UHFFFAOYSA-N 1 3 338.496 0.847 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000627371656 440160044 /nfs/dbraw/zinc/16/00/44/440160044.db2.gz MZVKJPFMFBOUFO-ARFHVFGLSA-N 1 3 336.480 0.668 20 30 ECEDHO CN1CCN(CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000557889423 322211572 /nfs/dbraw/zinc/21/15/72/322211572.db2.gz PRIHAZLVGLZLOQ-GOSISDBHSA-N 1 3 346.475 0.915 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000838622263 586818740 /nfs/dbraw/zinc/81/87/40/586818740.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 1 3 335.496 0.363 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000838622263 586818742 /nfs/dbraw/zinc/81/87/42/586818742.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 1 3 335.496 0.363 20 30 ECEDHO N#C[C@@H]1CNC[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876801910 590416526 /nfs/dbraw/zinc/41/65/26/590416526.db2.gz KHQNBWWQCWATEX-IAGOWNOFSA-N 1 3 341.459 0.598 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367067 591153633 /nfs/dbraw/zinc/15/36/33/591153633.db2.gz IHTKUNANCJVRQC-QGZVFWFLSA-N 1 3 349.523 0.799 20 30 ECEDHO CC#CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516602 610881509 /nfs/dbraw/zinc/88/15/09/610881509.db2.gz MHNZQCITPYVKQS-DOTOQJQBSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232518 733076662 /nfs/dbraw/zinc/07/66/62/733076662.db2.gz FVCFTGPQOLOOLR-CVEARBPZSA-N 1 3 348.491 0.342 20 30 ECEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500033 736924695 /nfs/dbraw/zinc/92/46/95/736924695.db2.gz OSPPWTZFWDNPAX-SDDULXJBSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500033 736924699 /nfs/dbraw/zinc/92/46/99/736924699.db2.gz OSPPWTZFWDNPAX-SDDULXJBSA-N 1 3 331.460 0.701 20 30 ECEDHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001104680715 739467428 /nfs/dbraw/zinc/46/74/28/739467428.db2.gz VQKRAMDNSFLZHF-BZUAXINKSA-N 1 3 349.479 0.042 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809966 740543663 /nfs/dbraw/zinc/54/36/63/740543663.db2.gz UFXCYZFRYGSAPO-HZPDHXFCSA-N 1 3 336.480 0.152 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCOC)C3)CC1 ZINC000982161919 751651745 /nfs/dbraw/zinc/65/17/45/751651745.db2.gz DKLFWYZLEQQTIA-UHFFFAOYSA-N 1 3 333.476 0.902 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCOC)C3)CC1 ZINC000982161919 751651747 /nfs/dbraw/zinc/65/17/47/751651747.db2.gz DKLFWYZLEQQTIA-UHFFFAOYSA-N 1 3 333.476 0.902 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCCO)C3)CC1 ZINC000982162537 751652036 /nfs/dbraw/zinc/65/20/36/751652036.db2.gz SQSKDXFXQMKPDR-UHFFFAOYSA-N 1 3 333.476 0.638 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)CC1 ZINC000982162537 751652039 /nfs/dbraw/zinc/65/20/39/751652039.db2.gz SQSKDXFXQMKPDR-UHFFFAOYSA-N 1 3 333.476 0.638 20 30 ECEDHO C#CCN1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997093505 743226203 /nfs/dbraw/zinc/22/62/03/743226203.db2.gz HVNWOCPBELZNCD-OAHLLOKOSA-N 1 3 331.464 0.908 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccnn3C)[C@@H]2C)CC1 ZINC000987574742 750977193 /nfs/dbraw/zinc/97/71/93/750977193.db2.gz GTVTYWHEVDTMPW-YJBOKZPZSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000987579044 750981640 /nfs/dbraw/zinc/98/16/40/750981640.db2.gz ZPYANLKPIIDDJT-YJBOKZPZSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014453863 762711042 /nfs/dbraw/zinc/71/10/42/762711042.db2.gz UNIZPMGCFMXLRP-KURKYZTESA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064360 766844038 /nfs/dbraw/zinc/84/40/38/766844038.db2.gz LPVQJCQBVGNXMO-GOSISDBHSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064360 766844043 /nfs/dbraw/zinc/84/40/43/766844043.db2.gz LPVQJCQBVGNXMO-GOSISDBHSA-N 1 3 346.519 0.960 20 30 ECEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168692 767765482 /nfs/dbraw/zinc/76/54/82/767765482.db2.gz GZZZUWDATWUMDQ-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001054168692 767765486 /nfs/dbraw/zinc/76/54/86/767765486.db2.gz GZZZUWDATWUMDQ-VXLIZBOYSA-N 1 3 343.471 0.797 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209088 783660833 /nfs/dbraw/zinc/66/08/33/783660833.db2.gz LUSRAZNLHSSURR-CVEARBPZSA-N 1 3 332.452 0.680 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001070649219 784495703 /nfs/dbraw/zinc/49/57/03/784495703.db2.gz VBMMRATWWJIANQ-GVDBMIGSSA-N 1 3 341.459 0.279 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689526 784555700 /nfs/dbraw/zinc/55/57/00/784555700.db2.gz CCRNOWTTWFSOFL-ARFHVFGLSA-N 1 3 331.464 0.974 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815936 787251273 /nfs/dbraw/zinc/25/12/73/787251273.db2.gz PNWZICLSCQGLRM-QGZVFWFLSA-N 1 3 349.479 0.842 20 30 ECEDHO CN(C)C1(C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)CCC1 ZINC001266909160 836468201 /nfs/dbraw/zinc/46/82/01/836468201.db2.gz GKEPTBHDOLTBJN-UHFFFAOYSA-N 1 3 335.452 0.127 20 30 ECEDHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)N1CCCC1 ZINC001267085135 836733207 /nfs/dbraw/zinc/73/32/07/836733207.db2.gz GTCUGTQOJKZKOU-CABCVRRESA-N 1 3 349.479 0.518 20 30 ECEDHO COCC#CCN(CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001267338144 837221281 /nfs/dbraw/zinc/22/12/81/837221281.db2.gz RECAQRBWCJMTPD-MRXNPFEDSA-N 1 3 337.464 0.185 20 30 ECEDHO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596922 837901682 /nfs/dbraw/zinc/90/16/82/837901682.db2.gz RKTRIVQZLXWYSC-HOTGVXAUSA-N 1 3 338.496 0.798 20 30 ECEDHO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267596922 837901688 /nfs/dbraw/zinc/90/16/88/837901688.db2.gz RKTRIVQZLXWYSC-HOTGVXAUSA-N 1 3 338.496 0.798 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702711 838300674 /nfs/dbraw/zinc/30/06/74/838300674.db2.gz IJJQZDSDMZRZII-CVEARBPZSA-N 1 3 346.475 0.000 20 30 ECEDHO C[C@H](C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001267965588 838880902 /nfs/dbraw/zinc/88/09/02/838880902.db2.gz LZAODXLWOXJJGY-HZPDHXFCSA-N 1 3 349.479 0.471 20 30 ECEDHO CN(C)C1CN(c2cc(N3CC([NH+](C)C)C3)c(C#N)cc2[N+](=O)[O-])C1 ZINC000283748579 264148212 /nfs/dbraw/zinc/14/82/12/264148212.db2.gz KOCOWQXTAZHUAU-UHFFFAOYSA-N 1 3 344.419 0.967 20 30 ECEDHO NC(=O)C[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1CC(N)=O ZINC000341880664 295058308 /nfs/dbraw/zinc/05/83/08/295058308.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 1 3 334.464 0.450 20 30 ECEDHO NC(=O)C[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1CC(N)=O ZINC000341880664 295058311 /nfs/dbraw/zinc/05/83/11/295058311.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 1 3 334.464 0.450 20 30 ECEDHO NC(=O)C[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000341880664 295058316 /nfs/dbraw/zinc/05/83/16/295058316.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 1 3 334.464 0.450 20 30 ECEDHO NC(=O)C[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000341880664 295058319 /nfs/dbraw/zinc/05/83/19/295058319.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 1 3 334.464 0.450 20 30 ECEDHO C#CCN1CCN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123223784 436739729 /nfs/dbraw/zinc/73/97/29/436739729.db2.gz YFORDJTZDWZDKX-UHFFFAOYSA-N 1 3 334.508 0.818 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COC2(CCOCC2)O1 ZINC000262129908 436908874 /nfs/dbraw/zinc/90/88/74/436908874.db2.gz KPCKSLHWNXCCJY-KBPBESRZSA-N 1 3 326.441 0.297 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1 ZINC000264230274 437019452 /nfs/dbraw/zinc/01/94/52/437019452.db2.gz CGEPOBOBGROFIU-HNNXBMFYSA-N 1 3 347.463 0.901 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000343733029 437641259 /nfs/dbraw/zinc/64/12/59/437641259.db2.gz AHJJJSPCWKVHDV-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733029 437641264 /nfs/dbraw/zinc/64/12/64/437641264.db2.gz AHJJJSPCWKVHDV-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000343739812 437643589 /nfs/dbraw/zinc/64/35/89/437643589.db2.gz NEIYXXIJAAOYTK-HOCLYGCPSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000343739812 437643594 /nfs/dbraw/zinc/64/35/94/437643594.db2.gz NEIYXXIJAAOYTK-HOCLYGCPSA-N 1 3 336.480 0.552 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354665765 437645549 /nfs/dbraw/zinc/64/55/49/437645549.db2.gz VWIAEXANLBACKO-UHFFFAOYSA-N 1 3 336.480 0.744 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343762956 437649542 /nfs/dbraw/zinc/64/95/42/437649542.db2.gz JDTUXFSLIHWJFU-GDBMZVCRSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343762956 437649544 /nfs/dbraw/zinc/64/95/44/437649544.db2.gz JDTUXFSLIHWJFU-GDBMZVCRSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000343760747 437649677 /nfs/dbraw/zinc/64/96/77/437649677.db2.gz FJQFMSALOGEJRF-UHFFFAOYSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340826836 437746785 /nfs/dbraw/zinc/74/67/85/437746785.db2.gz OVWNQSQHRHZRCT-HZPDHXFCSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340826836 437746788 /nfs/dbraw/zinc/74/67/88/437746788.db2.gz OVWNQSQHRHZRCT-HZPDHXFCSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419574183 438363155 /nfs/dbraw/zinc/36/31/55/438363155.db2.gz UDAUHOUEUJHYTL-CVEARBPZSA-N 1 3 336.480 0.669 20 30 ECEDHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1CCC#N ZINC000596816546 439004665 /nfs/dbraw/zinc/00/46/65/439004665.db2.gz JDEXHDVBUQFNGW-AWEZNQCLSA-N 1 3 349.483 1.499 20 30 ECEDHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1CCC#N ZINC000596816546 439004670 /nfs/dbraw/zinc/00/46/70/439004670.db2.gz JDEXHDVBUQFNGW-AWEZNQCLSA-N 1 3 349.483 1.499 20 30 ECEDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc2c(C#N)cnn2c1 ZINC000597181634 439053247 /nfs/dbraw/zinc/05/32/47/439053247.db2.gz CWMNNCNDGPHTMS-AWEZNQCLSA-N 1 3 329.452 0.963 20 30 ECEDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773560 439128380 /nfs/dbraw/zinc/12/83/80/439128380.db2.gz DPLNLCSMQQQAHX-ROUUACIJSA-N 1 3 347.459 0.980 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000592481379 439235507 /nfs/dbraw/zinc/23/55/07/439235507.db2.gz GXCBJCUJAGNGTM-UHFFFAOYSA-N 1 3 337.512 0.962 20 30 ECEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000491392143 439376017 /nfs/dbraw/zinc/37/60/17/439376017.db2.gz AFHQAENMYUCLTE-DLBZAZTESA-N 1 3 336.480 0.619 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000491786533 439451886 /nfs/dbraw/zinc/45/18/86/439451886.db2.gz PBQGCTIJWWFJQA-QGZVFWFLSA-N 1 3 337.512 0.513 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000491786533 439451890 /nfs/dbraw/zinc/45/18/90/439451890.db2.gz PBQGCTIJWWFJQA-QGZVFWFLSA-N 1 3 337.512 0.513 20 30 ECEDHO N#C[C@H]1CNC[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000834484932 588902273 /nfs/dbraw/zinc/90/22/73/588902273.db2.gz PFCSPSMUJBBHBR-WMZOPIPTSA-N 1 3 341.459 0.817 20 30 ECEDHO C=C1[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000900694170 586653599 /nfs/dbraw/zinc/65/35/99/586653599.db2.gz FZZHQYYAJRXIFO-VGWMRTNUSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000900694170 586653600 /nfs/dbraw/zinc/65/36/00/586653600.db2.gz FZZHQYYAJRXIFO-VGWMRTNUSA-N 1 3 334.464 0.209 20 30 ECEDHO C[NH+]=C(NCC1(N(C)C)CCOCC1)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000133473956 590704208 /nfs/dbraw/zinc/70/42/08/590704208.db2.gz UHUOHURGWGXUPD-LSDHHAIUSA-N 1 3 337.512 0.887 20 30 ECEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC000884219992 590780468 /nfs/dbraw/zinc/78/04/68/590780468.db2.gz CWHREYIDPHWMCM-HFCFLWKCSA-N 1 3 346.475 0.697 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000884614464 590872400 /nfs/dbraw/zinc/87/24/00/590872400.db2.gz NURXBODSZYEMBV-HRCADAONSA-N 1 3 336.480 0.749 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481158 611433708 /nfs/dbraw/zinc/43/37/08/611433708.db2.gz SRGJXYCMTPRXQX-LSDHHAIUSA-N 1 3 346.475 0.284 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)C1CCN(C)CC1 ZINC000930806753 611466090 /nfs/dbraw/zinc/46/60/90/611466090.db2.gz WYIMBZJATPAEJM-UHFFFAOYSA-N 1 3 348.491 0.533 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)C1CCN(C)CC1 ZINC000930806753 611466092 /nfs/dbraw/zinc/46/60/92/611466092.db2.gz WYIMBZJATPAEJM-UHFFFAOYSA-N 1 3 348.491 0.533 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CCN(C)CC1 ZINC000910886027 609773669 /nfs/dbraw/zinc/77/36/69/609773669.db2.gz JEIBBLAXOSRWGB-DOTOQJQBSA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CCN(C)CC1 ZINC000910886027 609773671 /nfs/dbraw/zinc/77/36/71/609773671.db2.gz JEIBBLAXOSRWGB-DOTOQJQBSA-N 1 3 346.475 0.095 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969965179 732563656 /nfs/dbraw/zinc/56/36/56/732563656.db2.gz NSEPRXYEVFVATD-HZPDHXFCSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167251262 733095669 /nfs/dbraw/zinc/09/56/69/733095669.db2.gz OWBWXWIHZOQWCB-GJZGRUSLSA-N 1 3 338.496 0.893 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160635 738738800 /nfs/dbraw/zinc/73/88/00/738738800.db2.gz PLWWKIUQQHHONP-SJORKVTESA-N 1 3 348.491 0.840 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001023128238 736523741 /nfs/dbraw/zinc/52/37/41/736523741.db2.gz VOZXQPUXAYVIAX-FTEYMNFISA-N 1 3 345.487 0.995 20 30 ECEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691286 739489790 /nfs/dbraw/zinc/48/97/90/739489790.db2.gz MTZDYKRPMCSFJI-OAGGEKHMSA-N 1 3 338.496 0.703 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@H](CC)C(N)=O)CC2)CC1 ZINC001026609393 741612964 /nfs/dbraw/zinc/61/29/64/741612964.db2.gz GIOIYDWUKPIOSS-OFLPRAFFSA-N 1 3 348.491 0.613 20 30 ECEDHO C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn4cncc4c3)nn2)C1 ZINC001000005146 745172354 /nfs/dbraw/zinc/17/23/54/745172354.db2.gz ZKMBOTWFHJNDTP-MRXNPFEDSA-N 1 3 349.398 0.736 20 30 ECEDHO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn4cncc4c3)nn2)C1 ZINC001000005146 745172359 /nfs/dbraw/zinc/17/23/59/745172359.db2.gz ZKMBOTWFHJNDTP-MRXNPFEDSA-N 1 3 349.398 0.736 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023122 745193975 /nfs/dbraw/zinc/19/39/75/745193975.db2.gz YATVDXYNZNZHHI-MRXNPFEDSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158601 745299228 /nfs/dbraw/zinc/29/92/28/745299228.db2.gz VKYPUGLILWBJDS-IAGOWNOFSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158601 745299230 /nfs/dbraw/zinc/29/92/30/745299230.db2.gz VKYPUGLILWBJDS-IAGOWNOFSA-N 1 3 331.460 0.844 20 30 ECEDHO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567328 746430573 /nfs/dbraw/zinc/43/05/73/746430573.db2.gz YQMILBIBLAYREN-HSPZGVKFSA-N 1 3 329.444 0.167 20 30 ECEDHO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567328 746430575 /nfs/dbraw/zinc/43/05/75/746430575.db2.gz YQMILBIBLAYREN-HSPZGVKFSA-N 1 3 329.444 0.167 20 30 ECEDHO CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001644759 746566975 /nfs/dbraw/zinc/56/69/75/746566975.db2.gz CLNFIJRCTOJGNS-HFCFLWKCSA-N 1 3 331.460 0.701 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC000984803774 746960640 /nfs/dbraw/zinc/96/06/40/746960640.db2.gz JNAJXOSXXLVBPF-QAETUUGQSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000985147940 747467141 /nfs/dbraw/zinc/46/71/41/747467141.db2.gz FRSBLGYYAKKDJS-RZDIXWSQSA-N 1 3 343.475 0.750 20 30 ECEDHO CCOCCCNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000303908262 748177214 /nfs/dbraw/zinc/17/72/14/748177214.db2.gz XJRZBQVDVDMASB-QGZVFWFLSA-N 1 3 334.464 0.737 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904134 749534296 /nfs/dbraw/zinc/53/42/96/749534296.db2.gz NYQCTWQAPBNEFB-IAGOWNOFSA-N 1 3 348.491 0.649 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904134 749534300 /nfs/dbraw/zinc/53/43/00/749534300.db2.gz NYQCTWQAPBNEFB-IAGOWNOFSA-N 1 3 348.491 0.649 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cncn3C)[C@@H]2C)CC1 ZINC000987575284 750977499 /nfs/dbraw/zinc/97/74/99/750977499.db2.gz IXMMFXNSKUVNBQ-YJBOKZPZSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC(=O)N(C)C)CC2)CC1 ZINC001168307898 754269073 /nfs/dbraw/zinc/26/90/73/754269073.db2.gz LKDNSEQFQAIGDU-UHFFFAOYSA-N 1 3 348.491 0.296 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669459 758430445 /nfs/dbraw/zinc/43/04/45/758430445.db2.gz GAHOAZCWDJRVKB-CVEARBPZSA-N 1 3 348.491 0.422 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001047638294 759372926 /nfs/dbraw/zinc/37/29/26/759372926.db2.gz MAWVABBTFNNDAN-ROUUACIJSA-N 1 3 333.476 0.635 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001047638294 759372939 /nfs/dbraw/zinc/37/29/39/759372939.db2.gz MAWVABBTFNNDAN-ROUUACIJSA-N 1 3 333.476 0.635 20 30 ECEDHO C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047558580 764693002 /nfs/dbraw/zinc/69/30/02/764693002.db2.gz BSOKDDFXQCSYIO-IRXDYDNUSA-N 1 3 349.479 0.528 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035074 766717830 /nfs/dbraw/zinc/71/78/30/766717830.db2.gz CWJAJTWDFCURQB-MSOLQXFVSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035074 766717837 /nfs/dbraw/zinc/71/78/37/766717837.db2.gz CWJAJTWDFCURQB-MSOLQXFVSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047844 766779159 /nfs/dbraw/zinc/77/91/59/766779159.db2.gz YVOPIJOVPIINDZ-RBUKOAKNSA-N 1 3 344.503 0.713 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053689 766797764 /nfs/dbraw/zinc/79/77/64/766797764.db2.gz ADSYQTSVVQTYDQ-GBESFXJTSA-N 1 3 346.519 0.959 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053689 766797769 /nfs/dbraw/zinc/79/77/69/766797769.db2.gz ADSYQTSVVQTYDQ-GBESFXJTSA-N 1 3 346.519 0.959 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001019661370 771684627 /nfs/dbraw/zinc/68/46/27/771684627.db2.gz XUALHQCYGANCKC-LSDHHAIUSA-N 1 3 332.448 0.060 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045311710 775385417 /nfs/dbraw/zinc/38/54/17/775385417.db2.gz PGMSJTPCKIOQPA-JKSUJKDBSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070288563 783793733 /nfs/dbraw/zinc/79/37/33/783793733.db2.gz VCFPQKPRTYXMQA-CVEARBPZSA-N 1 3 332.452 0.538 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534583 784240013 /nfs/dbraw/zinc/24/00/13/784240013.db2.gz BIPBDXHPLFENMJ-YQQAZPJKSA-N 1 3 331.464 0.832 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001070655212 784506756 /nfs/dbraw/zinc/50/67/56/784506756.db2.gz ADWIDUIOSUUIBT-BFYDXBDKSA-N 1 3 331.464 0.830 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655428 784507962 /nfs/dbraw/zinc/50/79/62/784507962.db2.gz LRCWRFMSPGXJKJ-BFYDXBDKSA-N 1 3 329.448 0.278 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070697483 784565714 /nfs/dbraw/zinc/56/57/14/784565714.db2.gz FKCKTKQKAKKHGH-IAGOWNOFSA-N 1 3 343.475 0.669 20 30 ECEDHO C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266567566 835996134 /nfs/dbraw/zinc/99/61/34/835996134.db2.gz JAURVJXJYRZGMD-HOTGVXAUSA-N 1 3 334.464 0.191 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001266995302 836580180 /nfs/dbraw/zinc/58/01/80/836580180.db2.gz QRPDCUFGLUKLID-LSDHHAIUSA-N 1 3 344.459 0.594 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001266995895 836580842 /nfs/dbraw/zinc/58/08/42/836580842.db2.gz WQICRPUACQKZFR-HOCLYGCPSA-N 1 3 344.463 0.205 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267018974 836635119 /nfs/dbraw/zinc/63/51/19/836635119.db2.gz VKLUSIPTAIDSAD-SJORKVTESA-N 1 3 348.491 0.719 20 30 ECEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267018974 836635127 /nfs/dbraw/zinc/63/51/27/836635127.db2.gz VKLUSIPTAIDSAD-SJORKVTESA-N 1 3 348.491 0.719 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCO)c2ccccc2)CC1 ZINC001267381387 837305614 /nfs/dbraw/zinc/30/56/14/837305614.db2.gz BQBRZBXDNUUCTM-GOSISDBHSA-N 1 3 329.444 0.771 20 30 ECEDHO CCN1CCN(CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000549761126 302340783 /nfs/dbraw/zinc/34/07/83/302340783.db2.gz FOACRZOPIPTGMZ-UHFFFAOYSA-N 1 3 327.436 0.718 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000264060938 437015886 /nfs/dbraw/zinc/01/58/86/437015886.db2.gz CUWPGURJLBYZBF-JTQLQIEISA-N 1 3 345.494 0.284 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nnc2n1CCCCC2 ZINC000303788818 437157570 /nfs/dbraw/zinc/15/75/70/437157570.db2.gz UTPUZHJSRTUGRV-CQSZACIVSA-N 1 3 333.484 0.936 20 30 ECEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000329994118 437443728 /nfs/dbraw/zinc/44/37/28/437443728.db2.gz ZCAPZQMMVWXZAT-BZUAXINKSA-N 1 3 325.501 0.999 20 30 ECEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000329994118 437443735 /nfs/dbraw/zinc/44/37/35/437443735.db2.gz ZCAPZQMMVWXZAT-BZUAXINKSA-N 1 3 325.501 0.999 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C(C)C ZINC000419570399 438363130 /nfs/dbraw/zinc/36/31/30/438363130.db2.gz NJHWWSPYIQTCLX-JKSUJKDBSA-N 1 3 336.480 0.751 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419733941 438370002 /nfs/dbraw/zinc/37/00/02/438370002.db2.gz UOMQUSFUXJPPJR-QGZVFWFLSA-N 1 3 344.459 0.959 20 30 ECEDHO CC#CC[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645229310 440766762 /nfs/dbraw/zinc/76/67/62/440766762.db2.gz YFTSRCAECHEGFG-MRXNPFEDSA-N 1 3 336.480 0.619 20 30 ECEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000562141291 322266350 /nfs/dbraw/zinc/26/63/50/322266350.db2.gz YYQCMIGWVQVJCF-UHFFFAOYSA-N 1 3 349.410 0.588 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000876841249 590418488 /nfs/dbraw/zinc/41/84/88/590418488.db2.gz NRIWAMTVZINXLP-UWVGGRQHSA-N 1 3 328.766 0.409 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884642241 590881674 /nfs/dbraw/zinc/88/16/74/590881674.db2.gz DUWXPQJLARIZPV-ACHSLPGTSA-N 1 3 348.491 0.790 20 30 ECEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000911204269 609824647 /nfs/dbraw/zinc/82/46/47/609824647.db2.gz ZNFUSBBAIIFHIK-YLFCFFPRSA-N 1 3 348.491 0.810 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000911235621 609829762 /nfs/dbraw/zinc/82/97/62/609829762.db2.gz GLEFLIRRWMXQDS-VXGBXAGGSA-N 1 3 348.369 0.101 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239453 610623436 /nfs/dbraw/zinc/62/34/36/610623436.db2.gz OLIJPIQEPCNHLI-RDJZCZTQSA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239453 610623438 /nfs/dbraw/zinc/62/34/38/610623438.db2.gz OLIJPIQEPCNHLI-RDJZCZTQSA-N 1 3 335.492 0.929 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095624 611852297 /nfs/dbraw/zinc/85/22/97/611852297.db2.gz SUTGXIZLKWRWFM-IRXDYDNUSA-N 1 3 349.475 0.729 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095624 611852299 /nfs/dbraw/zinc/85/22/99/611852299.db2.gz SUTGXIZLKWRWFM-IRXDYDNUSA-N 1 3 349.475 0.729 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC000970792641 733943700 /nfs/dbraw/zinc/94/37/00/733943700.db2.gz QNJPBFRJGYREIJ-MRXNPFEDSA-N 1 3 329.448 0.456 20 30 ECEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425394 739482197 /nfs/dbraw/zinc/48/21/97/739482197.db2.gz PJKNJTRXUYDLHQ-CVEARBPZSA-N 1 3 331.464 0.908 20 30 ECEDHO C[N@@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996800283 742888172 /nfs/dbraw/zinc/88/81/72/742888172.db2.gz AALPBKYLIOFBPK-GTPINHCMSA-N 1 3 333.480 0.507 20 30 ECEDHO C[N@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)C1 ZINC000996800283 742888179 /nfs/dbraw/zinc/88/81/79/742888179.db2.gz AALPBKYLIOFBPK-GTPINHCMSA-N 1 3 333.480 0.507 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1=O ZINC000997006394 743119850 /nfs/dbraw/zinc/11/98/50/743119850.db2.gz LXCOBIXSGDXQGI-RDJZCZTQSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455657 751817290 /nfs/dbraw/zinc/81/72/90/751817290.db2.gz HTLYCPPOCFNNBA-BRWVUGGUSA-N 1 3 339.480 0.879 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998119537 743988096 /nfs/dbraw/zinc/98/80/96/743988096.db2.gz MLDZKONCFHOUQO-MRXNPFEDSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCCC[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001088429894 749196546 /nfs/dbraw/zinc/19/65/46/749196546.db2.gz CKYPAJWAQPUVPB-NVXWUHKLSA-N 1 3 348.491 0.566 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001021096359 752537097 /nfs/dbraw/zinc/53/70/97/752537097.db2.gz OUWTVPQQWXAPBD-QBPKDAKJSA-N 1 3 348.491 0.885 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001076917668 757590166 /nfs/dbraw/zinc/59/01/66/757590166.db2.gz QIQNPFBHDHDJDJ-RDJZCZTQSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001076917668 757590172 /nfs/dbraw/zinc/59/01/72/757590172.db2.gz QIQNPFBHDHDJDJ-RDJZCZTQSA-N 1 3 348.491 0.294 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+][C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996675333 758443112 /nfs/dbraw/zinc/44/31/12/758443112.db2.gz XXCHODGPRKQWHM-CVEARBPZSA-N 1 3 346.475 0.047 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046895722 763327168 /nfs/dbraw/zinc/32/71/68/763327168.db2.gz ABOVJOSBLHNGOP-CRAIPNDOSA-N 1 3 345.447 0.567 20 30 ECEDHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932009 763371517 /nfs/dbraw/zinc/37/15/17/763371517.db2.gz KGGDEGRYNSKQCB-KBPBESRZSA-N 1 3 348.472 0.888 20 30 ECEDHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3ccc(C#N)s3)C2)C1 ZINC001051932009 763371526 /nfs/dbraw/zinc/37/15/26/763371526.db2.gz KGGDEGRYNSKQCB-KBPBESRZSA-N 1 3 348.472 0.888 20 30 ECEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340114 768165293 /nfs/dbraw/zinc/16/52/93/768165293.db2.gz MBQNXUNUIVASAK-HUUCEWRRSA-N 1 3 336.480 0.150 20 30 ECEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453733 768323262 /nfs/dbraw/zinc/32/32/62/768323262.db2.gz UJZYYVBJZXTETH-LDBBTLTOSA-N 1 3 331.460 0.557 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032160 766703900 /nfs/dbraw/zinc/70/39/00/766703900.db2.gz FDAHZVQDWFRVCH-KZNAEPCWSA-N 1 3 332.492 0.568 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032160 766703905 /nfs/dbraw/zinc/70/39/05/766703905.db2.gz FDAHZVQDWFRVCH-KZNAEPCWSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741451 766829643 /nfs/dbraw/zinc/82/96/43/766829643.db2.gz XABQLGOFBCYVAE-BHEGOAEISA-N 1 3 329.444 0.454 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064843 766845988 /nfs/dbraw/zinc/84/59/88/766845988.db2.gz WHSVYYYWWIEWDE-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064843 766845998 /nfs/dbraw/zinc/84/59/98/766845998.db2.gz WHSVYYYWWIEWDE-ZWKOTPCHSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106785143 768965027 /nfs/dbraw/zinc/96/50/27/768965027.db2.gz XXDNRJDJFOMIPT-BZUAXINKSA-N 1 3 336.480 0.150 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045311709 775385123 /nfs/dbraw/zinc/38/51/23/775385123.db2.gz PGMSJTPCKIOQPA-HOTGVXAUSA-N 1 3 334.464 0.450 20 30 ECEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489217 781618931 /nfs/dbraw/zinc/61/89/31/781618931.db2.gz QKULWBRFVYRMSE-DPCKTDSQSA-N 1 3 331.460 0.960 20 30 ECEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489217 781618937 /nfs/dbraw/zinc/61/89/37/781618937.db2.gz QKULWBRFVYRMSE-DPCKTDSQSA-N 1 3 331.460 0.960 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689914 784556847 /nfs/dbraw/zinc/55/68/47/784556847.db2.gz WXOIUDVINBTPMX-ARFHVFGLSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689914 784556856 /nfs/dbraw/zinc/55/68/56/784556856.db2.gz WXOIUDVINBTPMX-ARFHVFGLSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709874 787019211 /nfs/dbraw/zinc/01/92/11/787019211.db2.gz KRLXDWKZPLKSJE-VZDIDWBNSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709874 787019215 /nfs/dbraw/zinc/01/92/15/787019215.db2.gz KRLXDWKZPLKSJE-VZDIDWBNSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001075415577 789343716 /nfs/dbraw/zinc/34/37/16/789343716.db2.gz LTUSXKNTRYHBCA-AEFFLSMTSA-N 1 3 330.432 0.961 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001266995298 836580562 /nfs/dbraw/zinc/58/05/62/836580562.db2.gz QRPDCUFGLUKLID-CABCVRRESA-N 1 3 344.459 0.594 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267017142 836627893 /nfs/dbraw/zinc/62/78/93/836627893.db2.gz TTWNYGHXEHWJTO-CVEARBPZSA-N 1 3 334.464 0.048 20 30 ECEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267017142 836627898 /nfs/dbraw/zinc/62/78/98/836627898.db2.gz TTWNYGHXEHWJTO-CVEARBPZSA-N 1 3 334.464 0.048 20 30 ECEDHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)N1CCCC1 ZINC001267085138 836733409 /nfs/dbraw/zinc/73/34/09/836733409.db2.gz GTCUGTQOJKZKOU-LSDHHAIUSA-N 1 3 349.479 0.518 20 30 ECEDHO C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267929623 838808320 /nfs/dbraw/zinc/80/83/20/838808320.db2.gz PHARJIARZKMDFQ-BFYDXBDKSA-N 1 3 336.480 0.339 20 30 ECEDHO C#CCNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001268034875 839094531 /nfs/dbraw/zinc/09/45/31/839094531.db2.gz QQYBYLMSOOWDIK-MRXNPFEDSA-N 1 3 348.491 0.629 20 30 ECEDHO C#CCNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268034875 839094536 /nfs/dbraw/zinc/09/45/36/839094536.db2.gz QQYBYLMSOOWDIK-MRXNPFEDSA-N 1 3 348.491 0.629 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)CC1 ZINC000176670923 437152827 /nfs/dbraw/zinc/15/28/27/437152827.db2.gz NISYMFALSIWZQN-IBGZPJMESA-N 1 3 346.519 0.960 20 30 ECEDHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000329130566 437322524 /nfs/dbraw/zinc/32/25/24/437322524.db2.gz OLRBDRLLRLIFRU-UHFFFAOYSA-N 1 3 348.451 1.370 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330139114 437458723 /nfs/dbraw/zinc/45/87/23/437458723.db2.gz OSFSRLCDFNISNU-GOEBONIOSA-N 1 3 349.479 0.376 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330139114 437458726 /nfs/dbraw/zinc/45/87/26/437458726.db2.gz OSFSRLCDFNISNU-GOEBONIOSA-N 1 3 349.479 0.376 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000343733048 437641185 /nfs/dbraw/zinc/64/11/85/437641185.db2.gz AKGILCGTLMRQRF-UHFFFAOYSA-N 1 3 336.480 0.697 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000343764516 437649942 /nfs/dbraw/zinc/64/99/42/437649942.db2.gz LUBZGAVDLNHHOQ-HZPDHXFCSA-N 1 3 336.480 0.742 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C(C)C ZINC000419567684 438362317 /nfs/dbraw/zinc/36/23/17/438362317.db2.gz JACAQASBGJRTKF-HOTGVXAUSA-N 1 3 336.480 0.608 20 30 ECEDHO N#CCCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595959470 438899981 /nfs/dbraw/zinc/89/99/81/438899981.db2.gz FCPACPSFQOMPRP-IAGOWNOFSA-N 1 3 330.432 0.891 20 30 ECEDHO N#CCCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959470 438899988 /nfs/dbraw/zinc/89/99/88/438899988.db2.gz FCPACPSFQOMPRP-IAGOWNOFSA-N 1 3 330.432 0.891 20 30 ECEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000491667513 439424387 /nfs/dbraw/zinc/42/43/87/439424387.db2.gz RNELZQMRJFDESJ-UHFFFAOYSA-N 1 3 330.432 0.806 20 30 ECEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437924 439559609 /nfs/dbraw/zinc/55/96/09/439559609.db2.gz LNXXOFFWVBKSBW-CABCVRRESA-N 1 3 337.468 0.457 20 30 ECEDHO C=CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000658534796 439985553 /nfs/dbraw/zinc/98/55/53/439985553.db2.gz CVVUQDOAFVFNSD-INIZCTEOSA-N 1 3 338.496 0.753 20 30 ECEDHO OCC1(NCC#CC[NH2+]C2(CO)CCSCC2)CCSCC1 ZINC000625466919 547109568 /nfs/dbraw/zinc/10/95/68/547109568.db2.gz LHNBSPXLGHOPPD-UHFFFAOYSA-N 1 3 344.546 0.685 20 30 ECEDHO CN1CCC[N@H+](CCCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000729683423 578297810 /nfs/dbraw/zinc/29/78/10/578297810.db2.gz OSRIYWWDHPOWEW-UHFFFAOYSA-N 1 3 327.436 0.718 20 30 ECEDHO CN1CCC[N@@H+](CCCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000729683423 578297811 /nfs/dbraw/zinc/29/78/11/578297811.db2.gz OSRIYWWDHPOWEW-UHFFFAOYSA-N 1 3 327.436 0.718 20 30 ECEDHO C=C1[C@H](C(=O)NCCN(C)C2CC2)[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000900367297 586627678 /nfs/dbraw/zinc/62/76/78/586627678.db2.gz NBIWQQXZQNJFJM-HOTGVXAUSA-N 1 3 334.464 0.209 20 30 ECEDHO C=C1[C@H](C(=O)NCCN(C)C2CC2)[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000900367297 586627679 /nfs/dbraw/zinc/62/76/79/586627679.db2.gz NBIWQQXZQNJFJM-HOTGVXAUSA-N 1 3 334.464 0.209 20 30 ECEDHO O=C(C#CC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000852903323 589523945 /nfs/dbraw/zinc/52/39/45/589523945.db2.gz ZAXKPKFHUPEFLG-LJQANCHMSA-N 1 3 341.455 0.872 20 30 ECEDHO C=C(CN(C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)[C@@H](C)[C@@H]1C ZINC000856338758 589661291 /nfs/dbraw/zinc/66/12/91/589661291.db2.gz IEZKHCUOHBBFPU-HOTGVXAUSA-N 1 3 336.480 0.670 20 30 ECEDHO C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130595971 590599614 /nfs/dbraw/zinc/59/96/14/590599614.db2.gz SDDWEMDFTMQCQK-UHFFFAOYSA-N 1 3 330.432 0.558 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884642674 590881582 /nfs/dbraw/zinc/88/15/82/590881582.db2.gz OMJPBFSNVBZSHU-RBVVOMGSSA-N 1 3 334.464 0.400 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC000939808142 610135920 /nfs/dbraw/zinc/13/59/20/610135920.db2.gz CDZNWOCCUNMACR-CRAIPNDOSA-N 1 3 343.475 0.702 20 30 ECEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433650 736194463 /nfs/dbraw/zinc/19/44/63/736194463.db2.gz PTVUDKJPWCSVRE-QUJXQBBWSA-N 1 3 345.487 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000974147744 741007182 /nfs/dbraw/zinc/00/71/82/741007182.db2.gz LXULVWVTMGBVPO-ZACQAIPSSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000974147744 741007185 /nfs/dbraw/zinc/00/71/85/741007185.db2.gz LXULVWVTMGBVPO-ZACQAIPSSA-N 1 3 346.475 0.047 20 30 ECEDHO C=CCCNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105260023 741583909 /nfs/dbraw/zinc/58/39/09/741583909.db2.gz XLYUPNXEBLDZED-MRXNPFEDSA-N 1 3 332.452 0.667 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC001026610155 741612941 /nfs/dbraw/zinc/61/29/41/741612941.db2.gz GBHSEQIIYPSNJO-OFLPRAFFSA-N 1 3 346.475 0.237 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+][C@@H](C)C(N)=O)CC2)CC1 ZINC001026609679 741612996 /nfs/dbraw/zinc/61/29/96/741612996.db2.gz RLSPZQXOZDTHCD-JEYLPNPQSA-N 1 3 334.464 0.222 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026889504 742029658 /nfs/dbraw/zinc/02/96/58/742029658.db2.gz XKGKSMNPLQDQKM-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822458 742217644 /nfs/dbraw/zinc/21/76/44/742217644.db2.gz BEDVOELXCIGFPA-IOSXPMGOSA-N 1 3 331.460 0.700 20 30 ECEDHO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822458 742217649 /nfs/dbraw/zinc/21/76/49/742217649.db2.gz BEDVOELXCIGFPA-IOSXPMGOSA-N 1 3 331.460 0.700 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218047 743195779 /nfs/dbraw/zinc/19/57/79/743195779.db2.gz WQTVDXXFWZLWOQ-CVEARBPZSA-N 1 3 334.464 0.307 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997611738 743708444 /nfs/dbraw/zinc/70/84/44/743708444.db2.gz GOKSEBYDXVPZDB-IRXDYDNUSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985387 745138535 /nfs/dbraw/zinc/13/85/35/745138535.db2.gz BNCQYBXLFUKDNB-VNQPRFMTSA-N 1 3 332.452 0.667 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985387 745138539 /nfs/dbraw/zinc/13/85/39/745138539.db2.gz BNCQYBXLFUKDNB-VNQPRFMTSA-N 1 3 332.452 0.667 20 30 ECEDHO C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995250 745154756 /nfs/dbraw/zinc/15/47/56/745154756.db2.gz FUGBOXWKRQLYGX-HOTGVXAUSA-N 1 3 330.436 0.259 20 30 ECEDHO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995250 745154758 /nfs/dbraw/zinc/15/47/58/745154758.db2.gz FUGBOXWKRQLYGX-HOTGVXAUSA-N 1 3 330.436 0.259 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002740 745166859 /nfs/dbraw/zinc/16/68/59/745166859.db2.gz LWCOWGDFRLXKLL-INIZCTEOSA-N 1 3 344.463 0.956 20 30 ECEDHO C=C(C)CN1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035965 745212663 /nfs/dbraw/zinc/21/26/63/745212663.db2.gz RPBZDWBJRVQURW-MRXNPFEDSA-N 1 3 344.463 0.813 20 30 ECEDHO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567336 746430428 /nfs/dbraw/zinc/43/04/28/746430428.db2.gz YQMILBIBLAYREN-PIMZTRDMSA-N 1 3 329.444 0.167 20 30 ECEDHO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567336 746430432 /nfs/dbraw/zinc/43/04/32/746430432.db2.gz YQMILBIBLAYREN-PIMZTRDMSA-N 1 3 329.444 0.167 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)Cc1cccc(F)c1 ZINC000303990366 748197774 /nfs/dbraw/zinc/19/77/74/748197774.db2.gz YKWYMOZYVPNTFL-INIZCTEOSA-N 1 3 349.454 0.873 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429988 748854588 /nfs/dbraw/zinc/85/45/88/748854588.db2.gz JPKWEYKIAGTYIV-LMMKCTJWSA-N 1 3 333.476 0.758 20 30 ECEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429988 748854592 /nfs/dbraw/zinc/85/45/92/748854592.db2.gz JPKWEYKIAGTYIV-LMMKCTJWSA-N 1 3 333.476 0.758 20 30 ECEDHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001112531399 749594024 /nfs/dbraw/zinc/59/40/24/749594024.db2.gz VNINVAYCZILXAG-MPGHIAIKSA-N 1 3 349.479 0.185 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC000980477423 749630306 /nfs/dbraw/zinc/63/03/06/749630306.db2.gz GQKLRHMSNFRKCX-QGZVFWFLSA-N 1 3 344.463 0.156 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000980477423 749630310 /nfs/dbraw/zinc/63/03/10/749630310.db2.gz GQKLRHMSNFRKCX-QGZVFWFLSA-N 1 3 344.463 0.156 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070562 756056455 /nfs/dbraw/zinc/05/64/55/756056455.db2.gz PKVZQNLCNDXGLW-RWBIUQBRSA-N 1 3 329.444 0.406 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070562 756056460 /nfs/dbraw/zinc/05/64/60/756056460.db2.gz PKVZQNLCNDXGLW-RWBIUQBRSA-N 1 3 329.444 0.406 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778882 758642107 /nfs/dbraw/zinc/64/21/07/758642107.db2.gz HMESXJDPOMIXLD-RDJZCZTQSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778882 758642114 /nfs/dbraw/zinc/64/21/14/758642114.db2.gz HMESXJDPOMIXLD-RDJZCZTQSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778881 758642208 /nfs/dbraw/zinc/64/22/08/758642208.db2.gz HMESXJDPOMIXLD-NVXWUHKLSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778881 758642212 /nfs/dbraw/zinc/64/22/12/758642212.db2.gz HMESXJDPOMIXLD-NVXWUHKLSA-N 1 3 346.406 0.766 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CC3CC(C)C3)C[C@@H]2O)CC1 ZINC001047638564 759375663 /nfs/dbraw/zinc/37/56/63/759375663.db2.gz YTHIIPYXYGSOIP-VHZYLWGESA-N 1 3 347.503 0.881 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2O)CC1 ZINC001047638564 759375674 /nfs/dbraw/zinc/37/56/74/759375674.db2.gz YTHIIPYXYGSOIP-VHZYLWGESA-N 1 3 347.503 0.881 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100185 759702529 /nfs/dbraw/zinc/70/25/29/759702529.db2.gz VMQGTNXUYISZPZ-KZIZELGASA-N 1 3 343.471 0.796 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100185 759702530 /nfs/dbraw/zinc/70/25/30/759702530.db2.gz VMQGTNXUYISZPZ-KZIZELGASA-N 1 3 343.471 0.796 20 30 ECEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345237 768352701 /nfs/dbraw/zinc/35/27/01/768352701.db2.gz ZPSGPVGRFNIVEE-OAHLLOKOSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345237 768352706 /nfs/dbraw/zinc/35/27/06/768352706.db2.gz ZPSGPVGRFNIVEE-OAHLLOKOSA-N 1 3 334.464 0.096 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026032 766681447 /nfs/dbraw/zinc/68/14/47/766681447.db2.gz BEIZHJIZTRTWTQ-OALUTQOASA-N 1 3 344.503 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035444 766719902 /nfs/dbraw/zinc/71/99/02/766719902.db2.gz LZWMXVUTGXQPEJ-KRWDZBQOSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035444 766719908 /nfs/dbraw/zinc/71/99/08/766719908.db2.gz LZWMXVUTGXQPEJ-KRWDZBQOSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](CC=C)C3)CC2)CC1 ZINC001046085070 766925856 /nfs/dbraw/zinc/92/58/56/766925856.db2.gz DPHAZYVAHQPSGJ-LJQANCHMSA-N 1 3 344.503 0.736 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001046085070 766925857 /nfs/dbraw/zinc/92/58/57/766925857.db2.gz DPHAZYVAHQPSGJ-LJQANCHMSA-N 1 3 344.503 0.736 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001046085161 766926498 /nfs/dbraw/zinc/92/64/98/766926498.db2.gz NAFVKVDXMNUVTQ-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085161 766926501 /nfs/dbraw/zinc/92/65/01/766926501.db2.gz NAFVKVDXMNUVTQ-MSOLQXFVSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001045182176 775104171 /nfs/dbraw/zinc/10/41/71/775104171.db2.gz NDGLJXIJRQLLLG-IRXDYDNUSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001045276248 775299280 /nfs/dbraw/zinc/29/92/80/775299280.db2.gz FGBVPJVIOXZGME-HOTGVXAUSA-N 1 3 346.475 0.450 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700391 787000634 /nfs/dbraw/zinc/00/06/34/787000634.db2.gz KTTOKGGWJDXERA-ISXWCOSWSA-N 1 3 349.475 0.633 20 30 ECEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700391 787000642 /nfs/dbraw/zinc/00/06/42/787000642.db2.gz KTTOKGGWJDXERA-ISXWCOSWSA-N 1 3 349.475 0.633 20 30 ECEDHO C#CCCN1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816296 787252108 /nfs/dbraw/zinc/25/21/08/787252108.db2.gz ZZQVGIVMHMQROZ-QGZVFWFLSA-N 1 3 347.463 0.289 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816295 787252125 /nfs/dbraw/zinc/25/21/25/787252125.db2.gz ZZQVGIVMHMQROZ-KRWDZBQOSA-N 1 3 347.463 0.289 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108751 788916877 /nfs/dbraw/zinc/91/68/77/788916877.db2.gz JGGWYDUFFXTOBS-HRCADAONSA-N 1 3 334.464 0.448 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOCC(F)F)C2)CC1 ZINC001266640711 836077134 /nfs/dbraw/zinc/07/71/34/836077134.db2.gz ZTASTPJXCLEAEA-SHTZXODSSA-N 1 3 343.418 0.850 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001266903238 836458442 /nfs/dbraw/zinc/45/84/42/836458442.db2.gz NAJPVOBEXUWABX-BPKGMFCQSA-N 1 3 348.491 0.406 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001266903238 836458445 /nfs/dbraw/zinc/45/84/45/836458445.db2.gz NAJPVOBEXUWABX-BPKGMFCQSA-N 1 3 348.491 0.406 20 30 ECEDHO C#CCNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001267843470 838641160 /nfs/dbraw/zinc/64/11/60/838641160.db2.gz GJBNNKVDTPMTCQ-HNNXBMFYSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001267843470 838641165 /nfs/dbraw/zinc/64/11/65/838641165.db2.gz GJBNNKVDTPMTCQ-HNNXBMFYSA-N 1 3 334.464 0.096 20 30 ECEDHO C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001267970404 838891405 /nfs/dbraw/zinc/89/14/05/838891405.db2.gz SSWDZFGKUXUXFF-MRXNPFEDSA-N 1 3 334.464 0.192 20 30 ECEDHO C[NH+]1CCC(N2CCC(NC(=O)C3(C#N)CCOCC3)CC2)CC1 ZINC000109142818 277027066 /nfs/dbraw/zinc/02/70/66/277027066.db2.gz HYHSSIHHOWKGCZ-UHFFFAOYSA-N 1 3 334.464 0.982 20 30 ECEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000271123608 436678107 /nfs/dbraw/zinc/67/81/07/436678107.db2.gz JHWAZAIORDIGAV-WBVHZDCISA-N 1 3 338.496 0.901 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000343733138 437640661 /nfs/dbraw/zinc/64/06/61/437640661.db2.gz AVZXSLKLVVBHGB-UHFFFAOYSA-N 1 3 338.496 0.990 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000343733138 437640665 /nfs/dbraw/zinc/64/06/65/437640665.db2.gz AVZXSLKLVVBHGB-UHFFFAOYSA-N 1 3 338.496 0.990 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264401 /nfs/dbraw/zinc/26/44/01/438264401.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264403 /nfs/dbraw/zinc/26/44/03/438264403.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264407 /nfs/dbraw/zinc/26/44/07/438264407.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC#CCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264410 /nfs/dbraw/zinc/26/44/10/438264410.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 1 3 334.464 0.161 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419724019 438369647 /nfs/dbraw/zinc/36/96/47/438369647.db2.gz GTZWLBUFYRSMKX-UAGQMJEPSA-N 1 3 348.491 0.729 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422291522 438546370 /nfs/dbraw/zinc/54/63/70/438546370.db2.gz DOVVREHMBFNMQM-INIZCTEOSA-N 1 3 336.480 0.696 20 30 ECEDHO Cn1cc(C#N)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000614932267 439790813 /nfs/dbraw/zinc/79/08/13/439790813.db2.gz SINHRESYAQXJPY-UHFFFAOYSA-N 1 3 345.451 0.972 20 30 ECEDHO CCN(CC)CC(=O)N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852866132 589519405 /nfs/dbraw/zinc/51/94/05/589519405.db2.gz SJSUQHIBHSDFLM-UHFFFAOYSA-N 1 3 334.464 0.002 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000876786716 590416029 /nfs/dbraw/zinc/41/60/29/590416029.db2.gz BMVJGYSJWIMFJZ-MELADBBJSA-N 1 3 342.871 0.563 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884642883 590881865 /nfs/dbraw/zinc/88/18/65/590881865.db2.gz RUTLQZVQOWPJDC-HNNXBMFYSA-N 1 3 336.480 0.873 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884642819 590881984 /nfs/dbraw/zinc/88/19/84/590881984.db2.gz REICUWOWSSUOLV-HOTGVXAUSA-N 1 3 334.464 0.496 20 30 ECEDHO COCC[NH+]=C(NC[C@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912505636 609962735 /nfs/dbraw/zinc/96/27/35/609962735.db2.gz BLRNODHZQNQWRN-HNNXBMFYSA-N 1 3 327.517 0.850 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095623 611852091 /nfs/dbraw/zinc/85/20/91/611852091.db2.gz SUTGXIZLKWRWFM-IAGOWNOFSA-N 1 3 349.475 0.729 20 30 ECEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095623 611852094 /nfs/dbraw/zinc/85/20/94/611852094.db2.gz SUTGXIZLKWRWFM-IAGOWNOFSA-N 1 3 349.475 0.729 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225239 733068534 /nfs/dbraw/zinc/06/85/34/733068534.db2.gz RIKSHKGECIWBRN-CVEARBPZSA-N 1 3 348.491 0.485 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500656 736926049 /nfs/dbraw/zinc/92/60/49/736926049.db2.gz XIYVEMXCOYAKAG-SDDULXJBSA-N 1 3 331.460 0.701 20 30 ECEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500656 736926052 /nfs/dbraw/zinc/92/60/52/736926052.db2.gz XIYVEMXCOYAKAG-SDDULXJBSA-N 1 3 331.460 0.701 20 30 ECEDHO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100680942 738077213 /nfs/dbraw/zinc/07/72/13/738077213.db2.gz NJTGIUDMBDWFCT-UHFFFAOYSA-N 1 3 338.496 0.751 20 30 ECEDHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001104680714 739467115 /nfs/dbraw/zinc/46/71/15/739467115.db2.gz VQKRAMDNSFLZHF-ARFHVFGLSA-N 1 3 349.479 0.042 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731843 739559361 /nfs/dbraw/zinc/55/93/61/739559361.db2.gz ASEYBRDNFSNCKM-QLFBSQMISA-N 1 3 345.447 0.164 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731844 739559378 /nfs/dbraw/zinc/55/93/78/739559378.db2.gz ASEYBRDNFSNCKM-RBSFLKMASA-N 1 3 345.447 0.164 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026886471 742042183 /nfs/dbraw/zinc/04/21/83/742042183.db2.gz YINYDAAAFFAKOB-JKSUJKDBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1=O ZINC000997014831 743132189 /nfs/dbraw/zinc/13/21/89/743132189.db2.gz LHAVXRMHVLHFPO-HOTGVXAUSA-N 1 3 336.480 0.694 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC000984803775 746960680 /nfs/dbraw/zinc/96/06/80/746960680.db2.gz JNAJXOSXXLVBPF-QBPKDAKJSA-N 1 3 348.491 0.742 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001021090445 752530499 /nfs/dbraw/zinc/53/04/99/752530499.db2.gz VOZXQPUXAYVIAX-SOAMZJECSA-N 1 3 345.487 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001032206634 759636651 /nfs/dbraw/zinc/63/66/51/759636651.db2.gz FHGCBPBRRSQAPF-QUCCMNQESA-N 1 3 345.487 0.806 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254979 766607568 /nfs/dbraw/zinc/60/75/68/766607568.db2.gz GZQCZRBQHBTJQA-JKSUJKDBSA-N 1 3 349.479 0.329 20 30 ECEDHO CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254979 766607571 /nfs/dbraw/zinc/60/75/71/766607571.db2.gz GZQCZRBQHBTJQA-JKSUJKDBSA-N 1 3 349.479 0.329 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243129 780917620 /nfs/dbraw/zinc/91/76/20/780917620.db2.gz NNNKJISGNDHPSX-ZJPYXAASSA-N 1 3 345.487 0.899 20 30 ECEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243129 780917622 /nfs/dbraw/zinc/91/76/22/780917622.db2.gz NNNKJISGNDHPSX-ZJPYXAASSA-N 1 3 345.487 0.899 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070501036 784196902 /nfs/dbraw/zinc/19/69/02/784196902.db2.gz VVCPBGXHAFBTGJ-DOTOQJQBSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001071087029 784530260 /nfs/dbraw/zinc/53/02/60/784530260.db2.gz GQUISXHJQDGCCB-WDYCEAGBSA-N 1 3 333.476 0.947 20 30 ECEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700671 786999777 /nfs/dbraw/zinc/99/97/77/786999777.db2.gz SXJXGIPYAXECHK-VZDIDWBNSA-N 1 3 349.475 0.633 20 30 ECEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700671 786999780 /nfs/dbraw/zinc/99/97/80/786999780.db2.gz SXJXGIPYAXECHK-VZDIDWBNSA-N 1 3 349.475 0.633 20 30 ECEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266370889 835784395 /nfs/dbraw/zinc/78/43/95/835784395.db2.gz NGVDKVSOGHAIED-QZTJIDSGSA-N 1 3 345.487 0.949 20 30 ECEDHO C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876386 836422910 /nfs/dbraw/zinc/42/29/10/836422910.db2.gz LYJONCDEHRNWFL-CVEARBPZSA-N 1 3 348.491 0.437 20 30 ECEDHO C#CCNC(=O)CN(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001283326300 836546565 /nfs/dbraw/zinc/54/65/65/836546565.db2.gz WGZKQOMNOQUHFV-UHFFFAOYSA-N 1 3 334.464 0.000 20 30 ECEDHO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267000924 836588891 /nfs/dbraw/zinc/58/88/91/836588891.db2.gz GXZIOWRHCDAZDP-MRXNPFEDSA-N 1 3 348.491 0.438 20 30 ECEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000264249790 254515033 /nfs/dbraw/zinc/51/50/33/254515033.db2.gz GTSMVQFXOMFXRI-KRWDZBQOSA-N 1 3 343.475 0.960 20 30 ECEDHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000329820054 278159400 /nfs/dbraw/zinc/15/94/00/278159400.db2.gz YBZCCSBRWADBPV-OWCLPIDISA-N 1 3 325.501 0.856 20 30 ECEDHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000329820054 278159401 /nfs/dbraw/zinc/15/94/01/278159401.db2.gz YBZCCSBRWADBPV-OWCLPIDISA-N 1 3 325.501 0.856 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000340268938 437615130 /nfs/dbraw/zinc/61/51/30/437615130.db2.gz WQCTTWPZUMTOOU-HNNXBMFYSA-N 1 3 336.480 0.744 20 30 ECEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494717 437215530 /nfs/dbraw/zinc/21/55/30/437215530.db2.gz BXBCTKVEFBARSH-AWEZNQCLSA-N 1 3 333.440 0.024 20 30 ECEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494717 437215533 /nfs/dbraw/zinc/21/55/33/437215533.db2.gz BXBCTKVEFBARSH-AWEZNQCLSA-N 1 3 333.440 0.024 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000343739892 437643309 /nfs/dbraw/zinc/64/33/09/437643309.db2.gz NYDCZWNNFGORGO-CQSZACIVSA-N 1 3 334.464 0.520 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000343739892 437643315 /nfs/dbraw/zinc/64/33/15/437643315.db2.gz NYDCZWNNFGORGO-CQSZACIVSA-N 1 3 334.464 0.520 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000343765294 437649531 /nfs/dbraw/zinc/64/95/31/437649531.db2.gz MUXHOCMIWVHWSP-OAHLLOKOSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000343765294 437649533 /nfs/dbraw/zinc/64/95/33/437649533.db2.gz MUXHOCMIWVHWSP-OAHLLOKOSA-N 1 3 336.480 0.553 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000343767065 437652347 /nfs/dbraw/zinc/65/23/47/437652347.db2.gz QLZYLWVWCWZRHB-UHFFFAOYSA-N 1 3 336.480 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340831183 437748758 /nfs/dbraw/zinc/74/87/58/437748758.db2.gz SYUKZGNKBPDORA-DLBZAZTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340831183 437748759 /nfs/dbraw/zinc/74/87/59/437748759.db2.gz SYUKZGNKBPDORA-DLBZAZTESA-N 1 3 348.491 0.886 20 30 ECEDHO C[C@H](C(=O)N(C)CCC#N)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306201 437918373 /nfs/dbraw/zinc/91/83/73/437918373.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 1 3 335.496 0.847 20 30 ECEDHO C[C@@H]1CC[C@@H](C(N)=O)CN1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264937 /nfs/dbraw/zinc/26/49/37/438264937.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@@H](C(N)=O)CN1CC#CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264941 /nfs/dbraw/zinc/26/49/41/438264941.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264946 /nfs/dbraw/zinc/26/49/46/438264946.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 1 3 334.464 0.161 20 30 ECEDHO C[C@@H]1CC[C@H](C(N)=O)CN1CC#CC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264950 /nfs/dbraw/zinc/26/49/50/438264950.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 1 3 334.464 0.161 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000377751913 438326866 /nfs/dbraw/zinc/32/68/66/438326866.db2.gz YRCJPXVPUCLTSO-SFHVURJKSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000377751913 438326871 /nfs/dbraw/zinc/32/68/71/438326871.db2.gz YRCJPXVPUCLTSO-SFHVURJKSA-N 1 3 332.492 0.570 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652691967 439922735 /nfs/dbraw/zinc/92/27/35/439922735.db2.gz FIZJENBQEYVDMG-UHFFFAOYSA-N 1 3 336.480 0.649 20 30 ECEDHO N#C[C@@H]1CNC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000834484931 588902445 /nfs/dbraw/zinc/90/24/45/588902445.db2.gz PFCSPSMUJBBHBR-SJLPKXTDSA-N 1 3 341.459 0.817 20 30 ECEDHO C[NH+]=C(NCCc1ccc2cn[nH]c2c1)NCCN1CCOCC1 ZINC000849003429 589318243 /nfs/dbraw/zinc/31/82/43/589318243.db2.gz LPFOBXMZCOSPDL-UHFFFAOYSA-N 1 3 330.436 0.603 20 30 ECEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000855345702 589627825 /nfs/dbraw/zinc/62/78/25/589627825.db2.gz GTLOIODODCBFMQ-YOEHRIQHSA-N 1 3 332.448 0.980 20 30 ECEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000855345702 589627826 /nfs/dbraw/zinc/62/78/26/589627826.db2.gz GTLOIODODCBFMQ-YOEHRIQHSA-N 1 3 332.448 0.980 20 30 ECEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000876752689 590408609 /nfs/dbraw/zinc/40/86/09/590408609.db2.gz WJKXFFRRGLKACP-ZDUSSCGKSA-N 1 3 330.860 0.469 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000890371864 591154874 /nfs/dbraw/zinc/15/48/74/591154874.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 1 3 349.523 0.751 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000890371864 591154876 /nfs/dbraw/zinc/15/48/76/591154876.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 1 3 349.523 0.751 20 30 ECEDHO C#CCN1CCC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000890371864 591154880 /nfs/dbraw/zinc/15/48/80/591154880.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 1 3 349.523 0.751 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000929991306 611376481 /nfs/dbraw/zinc/37/64/81/611376481.db2.gz FLHFVJXXSUDEJG-INIZCTEOSA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941237053 610620913 /nfs/dbraw/zinc/62/09/13/610620913.db2.gz GQNROICIISFBKL-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941237053 610620915 /nfs/dbraw/zinc/62/09/15/610620915.db2.gz GQNROICIISFBKL-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433563 736191647 /nfs/dbraw/zinc/19/16/47/736191647.db2.gz KTIQBVDGTANEFD-QUJXQBBWSA-N 1 3 345.487 0.947 20 30 ECEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554258 739714009 /nfs/dbraw/zinc/71/40/09/739714009.db2.gz AHFSGCXMKVTIHX-JKSUJKDBSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026040886 740326881 /nfs/dbraw/zinc/32/68/81/740326881.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 1 3 346.475 0.304 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026040886 740326888 /nfs/dbraw/zinc/32/68/88/740326888.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 1 3 346.475 0.304 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149316 740424926 /nfs/dbraw/zinc/42/49/26/740424926.db2.gz HGZGKWPKLSMPGI-GPFWEFOESA-N 1 3 345.487 0.946 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149316 740424927 /nfs/dbraw/zinc/42/49/27/740424927.db2.gz HGZGKWPKLSMPGI-GPFWEFOESA-N 1 3 345.487 0.946 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261597357 751752118 /nfs/dbraw/zinc/75/21/18/751752118.db2.gz AADBVHIFCWNOMB-CQSZACIVSA-N 1 3 345.513 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC001027234013 743245845 /nfs/dbraw/zinc/24/58/45/743245845.db2.gz ODODAVUWKYQGHO-MRXNPFEDSA-N 1 3 343.475 0.703 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999832251 744927489 /nfs/dbraw/zinc/92/74/89/744927489.db2.gz BDXQJAHLGQLPAX-GPANFISMSA-N 1 3 334.464 0.448 20 30 ECEDHO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901720 751258362 /nfs/dbraw/zinc/25/83/62/751258362.db2.gz UABHPHKQPAVUOL-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901720 751258365 /nfs/dbraw/zinc/25/83/65/751258365.db2.gz UABHPHKQPAVUOL-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001021096357 752537292 /nfs/dbraw/zinc/53/72/92/752537292.db2.gz OUWTVPQQWXAPBD-LUKYLMHMSA-N 1 3 348.491 0.885 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020034 755576644 /nfs/dbraw/zinc/57/66/44/755576644.db2.gz BOJTXVVLUGHWFW-ARFHVFGLSA-N 1 3 334.464 0.448 20 30 ECEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054987 /nfs/dbraw/zinc/05/49/87/756054987.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054994 /nfs/dbraw/zinc/05/49/94/756054994.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 1 3 331.460 0.958 20 30 ECEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598350 760550775 /nfs/dbraw/zinc/55/07/75/760550775.db2.gz CGKLEEAGDCBFQL-GNZRSQJKSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943784 /nfs/dbraw/zinc/94/37/84/764943784.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 1 3 343.471 0.986 20 30 ECEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943790 /nfs/dbraw/zinc/94/37/90/764943790.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 1 3 343.471 0.986 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766705006 /nfs/dbraw/zinc/70/50/06/766705006.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 1 3 332.492 0.568 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766705011 /nfs/dbraw/zinc/70/50/11/766705011.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 1 3 332.492 0.568 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@H](C)O)CC3)CC1 ZINC001016984098 767437917 /nfs/dbraw/zinc/43/79/17/767437917.db2.gz CQHLDPGALBYPRA-RDJZCZTQSA-N 1 3 333.476 0.683 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369693 780158970 /nfs/dbraw/zinc/15/89/70/780158970.db2.gz ZZGZCRVYXHITNZ-FUHWJXTLSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369693 780158976 /nfs/dbraw/zinc/15/89/76/780158976.db2.gz ZZGZCRVYXHITNZ-FUHWJXTLSA-N 1 3 333.476 0.901 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CC=C)[C@@H](n3ccnn3)C2)CC1 ZINC001070333580 783840978 /nfs/dbraw/zinc/84/09/78/783840978.db2.gz HMCKXJDXMKCYHT-SJORKVTESA-N 1 3 342.447 0.151 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070500801 784197352 /nfs/dbraw/zinc/19/73/52/784197352.db2.gz IBYVXNTXOOSFFI-USXIJHARSA-N 1 3 331.464 0.830 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001070710533 784580138 /nfs/dbraw/zinc/58/01/38/784580138.db2.gz FVXWCNDWPMCHOJ-HUUCEWRRSA-N 1 3 327.432 0.033 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@H]2C)C1=O ZINC001074710638 787657605 /nfs/dbraw/zinc/65/76/05/787657605.db2.gz BEBHGUQELSPDBI-YHUYYLMFSA-N 1 3 336.480 0.693 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001074852958 788438959 /nfs/dbraw/zinc/43/89/59/788438959.db2.gz HIUYXWYOXXJBEO-BHYGNILZSA-N 1 3 348.491 0.694 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569386 837795014 /nfs/dbraw/zinc/79/50/14/837795014.db2.gz UHSPCXJAQBPGKV-HZPDHXFCSA-N 1 3 346.475 0.048 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266567565 835995837 /nfs/dbraw/zinc/99/58/37/835995837.db2.gz JAURVJXJYRZGMD-CVEARBPZSA-N 1 3 334.464 0.191 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267071966 836716978 /nfs/dbraw/zinc/71/69/78/836716978.db2.gz ZTMZUZMQAAIOTB-JKSUJKDBSA-N 1 3 336.480 0.601 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000419575607 277847170 /nfs/dbraw/zinc/84/71/70/277847170.db2.gz WNSYFRADBDQPRU-BBWFWOEESA-N 1 3 348.491 0.479 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076458576 436207481 /nfs/dbraw/zinc/20/74/81/436207481.db2.gz VDFIEIVNGDOSPG-INIZCTEOSA-N 1 3 334.464 0.035 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076458576 436207485 /nfs/dbraw/zinc/20/74/85/436207485.db2.gz VDFIEIVNGDOSPG-INIZCTEOSA-N 1 3 334.464 0.035 20 30 ECEDHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C#N ZINC000130559185 436839651 /nfs/dbraw/zinc/83/96/51/436839651.db2.gz YCNMQQUPGXBLSK-UHFFFAOYSA-N 1 3 345.447 0.757 20 30 ECEDHO C=CCN1CCC(NC(NC[C@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262796513 436941965 /nfs/dbraw/zinc/94/19/65/436941965.db2.gz PMPQGNMJJJPEHH-OAHLLOKOSA-N 1 3 345.495 0.964 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000343739808 437641987 /nfs/dbraw/zinc/64/19/87/437641987.db2.gz NEIYXXIJAAOYTK-GDBMZVCRSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000343739808 437641990 /nfs/dbraw/zinc/64/19/90/437641990.db2.gz NEIYXXIJAAOYTK-GDBMZVCRSA-N 1 3 336.480 0.552 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000343795026 437661265 /nfs/dbraw/zinc/66/12/65/437661265.db2.gz WDGHZWHIGACUDV-OAHLLOKOSA-N 1 3 336.480 0.553 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000343795026 437661270 /nfs/dbraw/zinc/66/12/70/437661270.db2.gz WDGHZWHIGACUDV-OAHLLOKOSA-N 1 3 336.480 0.553 20 30 ECEDHO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306200 437917190 /nfs/dbraw/zinc/91/71/90/437917190.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 1 3 335.496 0.847 20 30 ECEDHO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370355 438077514 /nfs/dbraw/zinc/07/75/14/438077514.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 1 3 347.507 0.895 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419734059 438368784 /nfs/dbraw/zinc/36/87/84/438368784.db2.gz UVCLTNSYCQMDMN-MRXNPFEDSA-N 1 3 338.496 0.975 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000491427913 439381584 /nfs/dbraw/zinc/38/15/84/439381584.db2.gz MMJUVASIEYYYNS-SJORKVTESA-N 1 3 336.480 0.869 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735984 439457108 /nfs/dbraw/zinc/45/71/08/439457108.db2.gz CHQLYRVVWYQMIB-ZQDZILKHSA-N 1 3 338.452 0.605 20 30 ECEDHO N#CCCCC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443233 439561897 /nfs/dbraw/zinc/56/18/97/439561897.db2.gz BCOZDSHGHFPEQZ-RYUDHWBXSA-N 1 3 335.374 0.350 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000939808548 610136142 /nfs/dbraw/zinc/13/61/42/610136142.db2.gz FHYJDYMDTNXYAI-NVXWUHKLSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000929399864 611751347 /nfs/dbraw/zinc/75/13/47/611751347.db2.gz WKHQYKYRWQERHH-INIZCTEOSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000929401066 611751558 /nfs/dbraw/zinc/75/15/58/611751558.db2.gz AEMHIJDTNOFVAU-MRXNPFEDSA-N 1 3 348.491 0.533 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950432141 612016571 /nfs/dbraw/zinc/01/65/71/612016571.db2.gz MXTMEQIMWGAEHU-IAGOWNOFSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950432141 612016573 /nfs/dbraw/zinc/01/65/73/612016573.db2.gz MXTMEQIMWGAEHU-IAGOWNOFSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC000970791888 733942898 /nfs/dbraw/zinc/94/28/98/733942898.db2.gz BIWSEHLGGWTLPR-SJORKVTESA-N 1 3 346.475 0.143 20 30 ECEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346507 734481689 /nfs/dbraw/zinc/48/16/89/734481689.db2.gz FAUJGHVSATWMJF-BZUAXINKSA-N 1 3 336.480 0.150 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178733 737800516 /nfs/dbraw/zinc/80/05/16/737800516.db2.gz DGWXNZGJDNOAGL-GDBMZVCRSA-N 1 3 345.447 0.567 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178734 737800740 /nfs/dbraw/zinc/80/07/40/737800740.db2.gz DGWXNZGJDNOAGL-GOEBONIOSA-N 1 3 345.447 0.567 20 30 ECEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001104690327 739489256 /nfs/dbraw/zinc/48/92/56/739489256.db2.gz DUVCTJDLQPGJFY-KFWWJZLASA-N 1 3 337.468 0.041 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158606 745298851 /nfs/dbraw/zinc/29/88/51/745298851.db2.gz VKYPUGLILWBJDS-IRXDYDNUSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCN1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158606 745298855 /nfs/dbraw/zinc/29/88/55/745298855.db2.gz VKYPUGLILWBJDS-IRXDYDNUSA-N 1 3 331.460 0.844 20 30 ECEDHO Cn1nncc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000262338212 747096579 /nfs/dbraw/zinc/09/65/79/747096579.db2.gz XSQILWZGRYUGBZ-UHFFFAOYSA-N 1 3 327.436 0.884 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348712 761927813 /nfs/dbraw/zinc/92/78/13/761927813.db2.gz DZWFZCUYNKXALB-BRWVUGGUSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001021090444 752530011 /nfs/dbraw/zinc/53/00/11/752530011.db2.gz VOZXQPUXAYVIAX-MLYOOKFZSA-N 1 3 345.487 0.995 20 30 ECEDHO C=CCN1CC[C@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778485 755083843 /nfs/dbraw/zinc/08/38/43/755083843.db2.gz IEXVLWCJGOGXQH-WBVHZDCISA-N 1 3 348.491 0.553 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627828 755087704 /nfs/dbraw/zinc/08/77/04/755087704.db2.gz NSUIZFSQPBCNED-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627828 755087707 /nfs/dbraw/zinc/08/77/07/755087707.db2.gz NSUIZFSQPBCNED-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105669294 755670765 /nfs/dbraw/zinc/67/07/65/755670765.db2.gz QQBQZIMJFKEZLT-PSBWJHGTSA-N 1 3 335.492 0.928 20 30 ECEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070409 756055272 /nfs/dbraw/zinc/05/52/72/756055272.db2.gz HWDWSCJDQDJXNB-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070409 756055279 /nfs/dbraw/zinc/05/52/79/756055279.db2.gz HWDWSCJDQDJXNB-FNYPPERVSA-N 1 3 331.460 0.958 20 30 ECEDHO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070561 756056046 /nfs/dbraw/zinc/05/60/46/756056046.db2.gz PKVZQNLCNDXGLW-FNYPPERVSA-N 1 3 329.444 0.406 20 30 ECEDHO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070561 756056050 /nfs/dbraw/zinc/05/60/50/756056050.db2.gz PKVZQNLCNDXGLW-FNYPPERVSA-N 1 3 329.444 0.406 20 30 ECEDHO CC#CCN1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001048824557 757115169 /nfs/dbraw/zinc/11/51/69/757115169.db2.gz FHOPSDIDCYFJJK-IYBDPMFKSA-N 1 3 329.448 0.472 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)C1=O ZINC000996664070 758385092 /nfs/dbraw/zinc/38/50/92/758385092.db2.gz DPFIEZRORAULNC-KRWDZBQOSA-N 1 3 348.491 0.838 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001032207240 759630146 /nfs/dbraw/zinc/63/01/46/759630146.db2.gz JCODRLYSZMWLHZ-INIZCTEOSA-N 1 3 333.476 0.806 20 30 ECEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)C1=O ZINC001054296447 767903913 /nfs/dbraw/zinc/90/39/13/767903913.db2.gz HNFXCCKXACRETM-OWCLPIDISA-N 1 3 336.480 0.694 20 30 ECEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598351 760550914 /nfs/dbraw/zinc/55/09/14/760550914.db2.gz CGKLEEAGDCBFQL-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC)C3)CC1 ZINC001047209754 763803925 /nfs/dbraw/zinc/80/39/25/763803925.db2.gz WUEIEHHVPCHHOF-SZMVWBNQSA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC)C3)CC1 ZINC001047209754 763803929 /nfs/dbraw/zinc/80/39/29/763803929.db2.gz WUEIEHHVPCHHOF-SZMVWBNQSA-N 1 3 333.476 0.947 20 30 ECEDHO C#CCN1CCC2(C[C@H]2NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001016625269 766622380 /nfs/dbraw/zinc/62/23/80/766622380.db2.gz GFSOMLKWLNZSIM-MRXNPFEDSA-N 1 3 329.448 0.662 20 30 ECEDHO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261996396 767024739 /nfs/dbraw/zinc/02/47/39/767024739.db2.gz SNLBUUHTXXQUNQ-DJIMGWMZSA-N 1 3 334.512 0.024 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106662964 768573481 /nfs/dbraw/zinc/57/34/81/768573481.db2.gz LPSOORAWGCIUPK-OWCLPIDISA-N 1 3 336.480 0.457 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC000993855876 769764400 /nfs/dbraw/zinc/76/44/00/769764400.db2.gz VJRPUPJARWGUJF-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC000993855876 769764407 /nfs/dbraw/zinc/76/44/07/769764407.db2.gz VJRPUPJARWGUJF-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001019661369 771684723 /nfs/dbraw/zinc/68/47/23/771684723.db2.gz XUALHQCYGANCKC-GJZGRUSLSA-N 1 3 332.448 0.060 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001019814022 771829278 /nfs/dbraw/zinc/82/92/78/771829278.db2.gz QNJPBFRJGYREIJ-INIZCTEOSA-N 1 3 329.448 0.456 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cncn2C)CC1 ZINC001045321306 775408772 /nfs/dbraw/zinc/40/87/72/775408772.db2.gz LBLCTTVCYOVQHJ-KRWDZBQOSA-N 1 3 343.475 0.846 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001045321598 775411516 /nfs/dbraw/zinc/41/15/16/775411516.db2.gz XPKXPAFRRNXTON-DLBZAZTESA-N 1 3 346.475 0.143 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076865 790524108 /nfs/dbraw/zinc/52/41/08/790524108.db2.gz YROABXFJHUHDNT-BBWFWOEESA-N 1 3 346.479 0.928 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076865 790524118 /nfs/dbraw/zinc/52/41/18/790524118.db2.gz YROABXFJHUHDNT-BBWFWOEESA-N 1 3 346.479 0.928 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070520708 784223524 /nfs/dbraw/zinc/22/35/24/784223524.db2.gz DVQMOWDKOPQEHZ-DOTOQJQBSA-N 1 3 343.475 0.812 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655234 784507057 /nfs/dbraw/zinc/50/70/57/784507057.db2.gz AVIZFVHNKGVUJP-HZPDHXFCSA-N 1 3 331.464 0.974 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]Cc2ccnn2C)C2CC2)CC1 ZINC001266444992 835848503 /nfs/dbraw/zinc/84/85/03/835848503.db2.gz IRLBJLZURKCERF-GOSISDBHSA-N 1 3 343.475 0.750 20 30 ECEDHO C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267000923 836589661 /nfs/dbraw/zinc/58/96/61/836589661.db2.gz GXZIOWRHCDAZDP-INIZCTEOSA-N 1 3 348.491 0.438 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC001268015729 838979651 /nfs/dbraw/zinc/97/96/51/838979651.db2.gz RSOUIUOPESFCEI-OAHLLOKOSA-N 1 3 343.475 0.972 20 30 ECEDHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419843393 209222307 /nfs/dbraw/zinc/22/23/07/209222307.db2.gz JKCIPIDHGBHUSB-UHFFFAOYSA-N 1 3 345.447 0.174 20 30 ECEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959954 266144799 /nfs/dbraw/zinc/14/47/99/266144799.db2.gz ZQHHCNMVLWANEU-HUUCEWRRSA-N 1 3 347.467 0.585 20 30 ECEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959954 266144802 /nfs/dbraw/zinc/14/48/02/266144802.db2.gz ZQHHCNMVLWANEU-HUUCEWRRSA-N 1 3 347.467 0.585 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000112913932 436634480 /nfs/dbraw/zinc/63/44/80/436634480.db2.gz ABJQALCSFTYJNA-GOSISDBHSA-N 1 3 334.508 0.720 20 30 ECEDHO CN1CC[NH+]=C1NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000262681286 436940197 /nfs/dbraw/zinc/94/01/97/436940197.db2.gz WHMPFIFJAYGUEE-MRXNPFEDSA-N 1 3 329.448 0.775 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1 ZINC000264100406 437016225 /nfs/dbraw/zinc/01/62/25/437016225.db2.gz MSZJQLZOEMUYIX-CQSZACIVSA-N 1 3 338.477 0.979 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264101836 437016841 /nfs/dbraw/zinc/01/68/41/437016841.db2.gz OKNMYZKKJORQFN-CQSZACIVSA-N 1 3 333.436 0.511 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(OC)cc1 ZINC000264083184 437017258 /nfs/dbraw/zinc/01/72/58/437017258.db2.gz IDXMCUVUFWHTMA-OAHLLOKOSA-N 1 3 347.463 0.814 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)CC1 ZINC000176670908 437153492 /nfs/dbraw/zinc/15/34/92/437153492.db2.gz NISYMFALSIWZQN-LJQANCHMSA-N 1 3 346.519 0.960 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000343739191 437642158 /nfs/dbraw/zinc/64/21/58/437642158.db2.gz LUEVEKGQWWFWCB-XJKSGUPXSA-N 1 3 334.464 0.352 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340826838 437747097 /nfs/dbraw/zinc/74/70/97/437747097.db2.gz OVWNQSQHRHZRCT-JKSUJKDBSA-N 1 3 334.464 0.496 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340826838 437747100 /nfs/dbraw/zinc/74/71/00/437747100.db2.gz OVWNQSQHRHZRCT-JKSUJKDBSA-N 1 3 334.464 0.496 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000514668485 438823143 /nfs/dbraw/zinc/82/31/43/438823143.db2.gz DYOXKEDNAHWKPB-QGZVFWFLSA-N 1 3 346.475 0.914 20 30 ECEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000491417817 439380099 /nfs/dbraw/zinc/38/00/99/439380099.db2.gz OUBIHNGYZBGTBD-SFHVURJKSA-N 1 3 329.444 0.872 20 30 ECEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000491417817 439380104 /nfs/dbraw/zinc/38/01/04/439380104.db2.gz OUBIHNGYZBGTBD-SFHVURJKSA-N 1 3 329.444 0.872 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000491742370 439438924 /nfs/dbraw/zinc/43/89/24/439438924.db2.gz JIRZZJNAMROFAZ-INIZCTEOSA-N 1 3 336.480 0.836 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000491742370 439438928 /nfs/dbraw/zinc/43/89/28/439438928.db2.gz JIRZZJNAMROFAZ-INIZCTEOSA-N 1 3 336.480 0.836 20 30 ECEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437926 439561326 /nfs/dbraw/zinc/56/13/26/439561326.db2.gz LNXXOFFWVBKSBW-HUUCEWRRSA-N 1 3 337.468 0.457 20 30 ECEDHO CC#CC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645229307 440765766 /nfs/dbraw/zinc/76/57/66/440765766.db2.gz YFTSRCAECHEGFG-INIZCTEOSA-N 1 3 336.480 0.619 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875182324 590279241 /nfs/dbraw/zinc/27/92/41/590279241.db2.gz KVIKEKDUQJCFLU-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182324 590279243 /nfs/dbraw/zinc/27/92/43/590279243.db2.gz KVIKEKDUQJCFLU-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO N#C[C@H]1CNC[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876801909 590416580 /nfs/dbraw/zinc/41/65/80/590416580.db2.gz KHQNBWWQCWATEX-DLBZAZTESA-N 1 3 341.459 0.598 20 30 ECEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC000884219993 590780566 /nfs/dbraw/zinc/78/05/66/590780566.db2.gz CWHREYIDPHWMCM-TVRKMHQQSA-N 1 3 346.475 0.697 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239454 610623172 /nfs/dbraw/zinc/62/31/72/610623172.db2.gz OLIJPIQEPCNHLI-WBVHZDCISA-N 1 3 335.492 0.929 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239454 610623174 /nfs/dbraw/zinc/62/31/74/610623174.db2.gz OLIJPIQEPCNHLI-WBVHZDCISA-N 1 3 335.492 0.929 20 30 ECEDHO CC#CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058061 610636211 /nfs/dbraw/zinc/63/62/11/610636211.db2.gz SLAPKFDOVHJQIL-CVEARBPZSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091557 742525666 /nfs/dbraw/zinc/52/56/66/742525666.db2.gz PCKPPXKMUFEWAI-HIFRSBDPSA-N 1 3 331.420 0.177 20 30 ECEDHO CC#CC[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001644764 746567024 /nfs/dbraw/zinc/56/70/24/746567024.db2.gz CLNFIJRCTOJGNS-TVRKMHQQSA-N 1 3 331.460 0.701 20 30 ECEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047250 747145119 /nfs/dbraw/zinc/14/51/19/747145119.db2.gz NTAHROMQYZURFT-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047250 747145122 /nfs/dbraw/zinc/14/51/22/747145122.db2.gz NTAHROMQYZURFT-XFHVWQCUSA-N 1 3 329.444 0.263 20 30 ECEDHO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000262458606 747597863 /nfs/dbraw/zinc/59/78/63/747597863.db2.gz LWMWTINWKIWAIT-CQSZACIVSA-N 1 3 331.468 0.860 20 30 ECEDHO C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCC[C@@H](C)C1 ZINC000303908240 748177167 /nfs/dbraw/zinc/17/71/67/748177167.db2.gz XJILRHSWMVZYTM-CVEARBPZSA-N 1 3 325.501 0.733 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cncn3C)[C@H]2C)CC1 ZINC000987575281 750977463 /nfs/dbraw/zinc/97/74/63/750977463.db2.gz IXMMFXNSKUVNBQ-CRAIPNDOSA-N 1 3 343.475 0.844 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001028333244 752400921 /nfs/dbraw/zinc/40/09/21/752400921.db2.gz HMQYMYVVGJOXFX-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001028333244 752400928 /nfs/dbraw/zinc/40/09/28/752400928.db2.gz HMQYMYVVGJOXFX-AEFFLSMTSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001021092337 752532801 /nfs/dbraw/zinc/53/28/01/752532801.db2.gz LDABIPUBAMGUNB-WKILWMFISA-N 1 3 329.448 0.502 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778880 758641586 /nfs/dbraw/zinc/64/15/86/758641586.db2.gz HMESXJDPOMIXLD-DOTOQJQBSA-N 1 3 346.406 0.766 20 30 ECEDHO N#Cc1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778880 758641591 /nfs/dbraw/zinc/64/15/91/758641591.db2.gz HMESXJDPOMIXLD-DOTOQJQBSA-N 1 3 346.406 0.766 20 30 ECEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042672 759504151 /nfs/dbraw/zinc/50/41/51/759504151.db2.gz XOMNZCGRXIWKEU-OWCLPIDISA-N 1 3 338.496 0.701 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050232512 760005764 /nfs/dbraw/zinc/00/57/64/760005764.db2.gz CLWDTZXYDGZUAX-GDBMZVCRSA-N 1 3 345.447 0.567 20 30 ECEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001048546601 760694780 /nfs/dbraw/zinc/69/47/80/760694780.db2.gz FMHMTINRRFZYFC-TWVPMNIGSA-N 1 3 343.471 0.842 20 30 ECEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001048546601 760694787 /nfs/dbraw/zinc/69/47/87/760694787.db2.gz FMHMTINRRFZYFC-TWVPMNIGSA-N 1 3 343.471 0.842 20 30 ECEDHO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccnc3C)C2)CC1 ZINC001052118224 763932079 /nfs/dbraw/zinc/93/20/79/763932079.db2.gz OSVULTKEBXVEHC-KRWDZBQOSA-N 1 3 331.464 0.986 20 30 ECEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455427 768325600 /nfs/dbraw/zinc/32/56/00/768325600.db2.gz STBXINOBPJUYFP-LDBBTLTOSA-N 1 3 331.460 0.557 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063920 766839725 /nfs/dbraw/zinc/83/97/25/766839725.db2.gz BVLLLZACZXUXGT-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063920 766839735 /nfs/dbraw/zinc/83/97/35/766839735.db2.gz BVLLLZACZXUXGT-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063918 766840435 /nfs/dbraw/zinc/84/04/35/766840435.db2.gz BVLLLZACZXUXGT-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063918 766840445 /nfs/dbraw/zinc/84/04/45/766840445.db2.gz BVLLLZACZXUXGT-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCO)CC1 ZINC001089736362 767137430 /nfs/dbraw/zinc/13/74/30/767137430.db2.gz VYYBNCVTFRWBMI-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCO)CC1 ZINC001089736362 767137432 /nfs/dbraw/zinc/13/74/32/767137432.db2.gz VYYBNCVTFRWBMI-KRWDZBQOSA-N 1 3 335.492 0.931 20 30 ECEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666713 768579531 /nfs/dbraw/zinc/57/95/31/768579531.db2.gz RGENMYHJYWSLHB-BZUAXINKSA-N 1 3 336.480 0.315 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019343043 771185788 /nfs/dbraw/zinc/18/57/88/771185788.db2.gz VNXXRZKWMWKHCA-ARFHVFGLSA-N 1 3 336.480 0.550 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097426 790597128 /nfs/dbraw/zinc/59/71/28/790597128.db2.gz RFVMFHGBYUCDHS-XHSDSOJGSA-N 1 3 332.452 0.538 20 30 ECEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097426 790597140 /nfs/dbraw/zinc/59/71/40/790597140.db2.gz RFVMFHGBYUCDHS-XHSDSOJGSA-N 1 3 332.452 0.538 20 30 ECEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489304 781618905 /nfs/dbraw/zinc/61/89/05/781618905.db2.gz SWQLZAKDXRDUEA-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489304 781618907 /nfs/dbraw/zinc/61/89/07/781618907.db2.gz SWQLZAKDXRDUEA-HECZYDGTSA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266712884 836186295 /nfs/dbraw/zinc/18/62/95/836186295.db2.gz HPWCJCQEHLTJJB-SOUVJXGZSA-N 1 3 336.480 0.339 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001266995893 836581667 /nfs/dbraw/zinc/58/16/67/836581667.db2.gz WQICRPUACQKZFR-GOEBONIOSA-N 1 3 344.463 0.205 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@H]2CCN(CC=C)C2=O)CC1 ZINC001267116433 836811552 /nfs/dbraw/zinc/81/15/52/836811552.db2.gz AXPNFGXHEBFKMJ-KRWDZBQOSA-N 1 3 346.475 0.167 20 30 ECEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCn2cncn2)CC1 ZINC001267155807 836863723 /nfs/dbraw/zinc/86/37/23/836863723.db2.gz VSRGGTSXKJCQDT-OAHLLOKOSA-N 1 3 332.452 0.108 20 30 ECEDHO C#CCNC(=O)CN(C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267752722 838474628 /nfs/dbraw/zinc/47/46/28/838474628.db2.gz QAWVCKLBRUPBSO-UHFFFAOYSA-N 1 3 336.480 0.248 20 30 ECEDHO C#CCNC(=O)CN(C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001267752722 838474629 /nfs/dbraw/zinc/47/46/29/838474629.db2.gz QAWVCKLBRUPBSO-UHFFFAOYSA-N 1 3 336.480 0.248 20 30 ECEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267820514 838610514 /nfs/dbraw/zinc/61/05/14/838610514.db2.gz GIIHTVHBUIYOMO-CVEARBPZSA-N 1 3 336.480 0.485 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000419576403 277847310 /nfs/dbraw/zinc/84/73/10/277847310.db2.gz XLWQGKYFYTZRNJ-IKGGRYGDSA-N 1 3 348.491 0.622 20 30 ECEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCOCC1 ZINC000190538449 437628628 /nfs/dbraw/zinc/62/86/28/437628628.db2.gz LELHZWYMXBPSKQ-KRWDZBQOSA-N 1 3 332.448 0.924 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000343743984 437644608 /nfs/dbraw/zinc/64/46/08/437644608.db2.gz XBRLMETYSINKLD-INIZCTEOSA-N 1 3 348.491 0.697 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640211 438317060 /nfs/dbraw/zinc/31/70/60/438317060.db2.gz MICBGXRGDJCHNP-IBGZPJMESA-N 1 3 346.519 0.959 20 30 ECEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640211 438317063 /nfs/dbraw/zinc/31/70/63/438317063.db2.gz MICBGXRGDJCHNP-IBGZPJMESA-N 1 3 346.519 0.959 20 30 ECEDHO N#Cc1ccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000575060014 438736131 /nfs/dbraw/zinc/73/61/31/438736131.db2.gz TUQMCWIFWJVZJF-KRWDZBQOSA-N 1 3 333.432 0.734 20 30 ECEDHO C=CCN1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000576457694 438783251 /nfs/dbraw/zinc/78/32/51/438783251.db2.gz PRUCOQBEGYINAV-JKSUJKDBSA-N 1 3 332.452 0.507 20 30 ECEDHO N#CCCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595959467 438900114 /nfs/dbraw/zinc/90/01/14/438900114.db2.gz FCPACPSFQOMPRP-DLBZAZTESA-N 1 3 330.432 0.891 20 30 ECEDHO N#CCCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959467 438900117 /nfs/dbraw/zinc/90/01/17/438900117.db2.gz FCPACPSFQOMPRP-DLBZAZTESA-N 1 3 330.432 0.891 20 30 ECEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000491417816 439379638 /nfs/dbraw/zinc/37/96/38/439379638.db2.gz OUBIHNGYZBGTBD-GOSISDBHSA-N 1 3 329.444 0.872 20 30 ECEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000491417816 439379645 /nfs/dbraw/zinc/37/96/45/439379645.db2.gz OUBIHNGYZBGTBD-GOSISDBHSA-N 1 3 329.444 0.872 20 30 ECEDHO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000491652177 439419025 /nfs/dbraw/zinc/41/90/25/439419025.db2.gz AIMAFOQBEMRIQE-KRWDZBQOSA-N 1 3 335.496 0.363 20 30 ECEDHO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000491652177 439419028 /nfs/dbraw/zinc/41/90/28/439419028.db2.gz AIMAFOQBEMRIQE-KRWDZBQOSA-N 1 3 335.496 0.363 20 30 ECEDHO CN1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000600734585 439697790 /nfs/dbraw/zinc/69/77/90/439697790.db2.gz HLZYYYCBWJJHDA-MRXNPFEDSA-N 1 3 338.496 0.673 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000636675918 439987910 /nfs/dbraw/zinc/98/79/10/439987910.db2.gz CSBBLFICUZAYIJ-QGZVFWFLSA-N 1 3 348.491 0.886 20 30 ECEDHO C=CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664018625 440215738 /nfs/dbraw/zinc/21/57/38/440215738.db2.gz ALPUARZXAAPBTG-KRWDZBQOSA-N 1 3 336.480 0.877 20 30 ECEDHO C=CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664018625 440215744 /nfs/dbraw/zinc/21/57/44/440215744.db2.gz ALPUARZXAAPBTG-KRWDZBQOSA-N 1 3 336.480 0.877 20 30 ECEDHO COCC1(NCC#CC[NH2+]C2(COC)CCOCC2)CCOCC1 ZINC000660635372 440696904 /nfs/dbraw/zinc/69/69/04/440696904.db2.gz VONQEGGCUACSNU-UHFFFAOYSA-N 1 3 340.464 0.560 20 30 ECEDHO N#Cc1ccc([C@@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003259 587464032 /nfs/dbraw/zinc/46/40/32/587464032.db2.gz CNTGEUIPBONTPH-SJORKVTESA-N 1 3 330.432 0.769 20 30 ECEDHO N#Cc1ccc(CCN2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866711956 589761783 /nfs/dbraw/zinc/76/17/83/589761783.db2.gz PBTFXZSOXKATMG-IXDOHACOSA-N 1 3 326.400 0.968 20 30 ECEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000876786715 590416092 /nfs/dbraw/zinc/41/60/92/590416092.db2.gz BMVJGYSJWIMFJZ-IHRRRGAJSA-N 1 3 342.871 0.563 20 30 ECEDHO N#C[C@H]1CNCC12CC(C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000884212592 590777043 /nfs/dbraw/zinc/77/70/43/590777043.db2.gz JDNQHYZATQMFIB-PQUAAJSLSA-N 1 3 346.475 0.887 20 30 ECEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000884614324 590872696 /nfs/dbraw/zinc/87/26/96/590872696.db2.gz KESDJBZCUULMHO-BBWFWOEESA-N 1 3 348.491 0.764 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884643204 590881749 /nfs/dbraw/zinc/88/17/49/590881749.db2.gz ZMGMUSSKKLVNKD-MRXNPFEDSA-N 1 3 336.480 0.744 20 30 ECEDHO C#CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000930492437 611435089 /nfs/dbraw/zinc/43/50/89/611435089.db2.gz XTFGDLSVFZNWCM-WMLDXEAASA-N 1 3 346.475 0.141 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950432142 612016785 /nfs/dbraw/zinc/01/67/85/612016785.db2.gz MXTMEQIMWGAEHU-IRXDYDNUSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950432142 612016787 /nfs/dbraw/zinc/01/67/87/612016787.db2.gz MXTMEQIMWGAEHU-IRXDYDNUSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969197600 731584052 /nfs/dbraw/zinc/58/40/52/731584052.db2.gz LEYJBBCRTMLVDO-CVEARBPZSA-N 1 3 346.475 0.592 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001025168665 738752370 /nfs/dbraw/zinc/75/23/70/738752370.db2.gz SFMVVWKYBLEAJM-SJORKVTESA-N 1 3 346.475 0.191 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001023130954 736526514 /nfs/dbraw/zinc/52/65/14/736526514.db2.gz OUWTVPQQWXAPBD-YYIAUSFCSA-N 1 3 348.491 0.885 20 30 ECEDHO CC#CCN1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023372256 736751866 /nfs/dbraw/zinc/75/18/66/736751866.db2.gz PRSHHFWTXCTVNR-MRXNPFEDSA-N 1 3 331.464 0.910 20 30 ECEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554256 739714060 /nfs/dbraw/zinc/71/40/60/739714060.db2.gz AHFSGCXMKVTIHX-HOTGVXAUSA-N 1 3 331.464 0.908 20 30 ECEDHO C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934282 742902814 /nfs/dbraw/zinc/90/28/14/742902814.db2.gz XWJACZHJLFSPAT-HZPDHXFCSA-N 1 3 346.475 0.307 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020588749 751850466 /nfs/dbraw/zinc/85/04/66/751850466.db2.gz LAEWNBUMBFORSR-YHUYYLMFSA-N 1 3 334.464 0.352 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC000999878234 744987606 /nfs/dbraw/zinc/98/76/06/744987606.db2.gz RDUDMTBMQZPNSN-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC000999878234 744987609 /nfs/dbraw/zinc/98/76/09/744987609.db2.gz RDUDMTBMQZPNSN-HNNXBMFYSA-N 1 3 346.475 0.000 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002742 745166569 /nfs/dbraw/zinc/16/65/69/745166569.db2.gz LWCOWGDFRLXKLL-MRXNPFEDSA-N 1 3 344.463 0.956 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC000984802904 746973296 /nfs/dbraw/zinc/97/32/96/746973296.db2.gz FHKRSZZJIYLJEB-LUKYLMHMSA-N 1 3 348.491 0.600 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001021091968 752532282 /nfs/dbraw/zinc/53/22/82/752532282.db2.gz ACQYQUWQFGACJB-KBAYOESNSA-N 1 3 333.476 0.995 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C[C@H]2C)CC1 ZINC000989828498 754497261 /nfs/dbraw/zinc/49/72/61/754497261.db2.gz DSSVWXKXYRSSEB-WBVHZDCISA-N 1 3 343.475 0.844 20 30 ECEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944444 757481996 /nfs/dbraw/zinc/48/19/96/757481996.db2.gz YGVZTUCFKNOATE-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944444 757482001 /nfs/dbraw/zinc/48/20/01/757482001.db2.gz YGVZTUCFKNOATE-XFHVWQCUSA-N 1 3 331.460 0.816 20 30 ECEDHO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)Cn3cncc3C)C2)CC1 ZINC001052052605 763717281 /nfs/dbraw/zinc/71/72/81/763717281.db2.gz QXOQXXNLFBLAKU-KRWDZBQOSA-N 1 3 331.464 0.986 20 30 ECEDHO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463326 764419339 /nfs/dbraw/zinc/41/93/39/764419339.db2.gz CSXDCRLYVFIWAG-JBWWOZQKSA-N 1 3 349.475 0.319 20 30 ECEDHO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463326 764419346 /nfs/dbraw/zinc/41/93/46/764419346.db2.gz CSXDCRLYVFIWAG-JBWWOZQKSA-N 1 3 349.475 0.319 20 30 ECEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332801 783841202 /nfs/dbraw/zinc/84/12/02/783841202.db2.gz WDALVWTZOKCYON-OAGGEKHMSA-N 1 3 332.452 0.680 20 30 ECEDHO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075394698 789320986 /nfs/dbraw/zinc/32/09/86/789320986.db2.gz FZHBGDFLGLDWDR-RDJZCZTQSA-N 1 3 330.432 0.961 20 30 ECEDHO CN(CC(=O)NCC#N)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267745905 838451765 /nfs/dbraw/zinc/45/17/65/838451765.db2.gz JWQAYPGVUKCFKD-UHFFFAOYSA-N 1 3 349.479 0.138 20 30 ECEDHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001268015925 838978943 /nfs/dbraw/zinc/97/89/43/838978943.db2.gz WCTRSJVZMRHXQZ-MRXNPFEDSA-N 1 3 348.491 0.296 20 30 ECEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959955 266143883 /nfs/dbraw/zinc/14/38/83/266143883.db2.gz ZQHHCNMVLWANEU-LSDHHAIUSA-N 1 3 347.467 0.585 20 30 ECEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959955 266143886 /nfs/dbraw/zinc/14/38/86/266143886.db2.gz ZQHHCNMVLWANEU-LSDHHAIUSA-N 1 3 347.467 0.585 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000152377614 436728163 /nfs/dbraw/zinc/72/81/63/436728163.db2.gz IBWWTIPAMISCMA-QGZVFWFLSA-N 1 3 346.475 0.097 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000152377614 436728165 /nfs/dbraw/zinc/72/81/65/436728165.db2.gz IBWWTIPAMISCMA-QGZVFWFLSA-N 1 3 346.475 0.097 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000172461048 437015736 /nfs/dbraw/zinc/01/57/36/437015736.db2.gz QEPZJTYEMYWUMO-UHFFFAOYSA-N 1 3 333.476 0.902 20 30 ECEDHO C[NH+]=C(NCCCN1CCC[C@@H]1C(=O)N(C)C)NCc1ccco1 ZINC000264051926 437015064 /nfs/dbraw/zinc/01/50/64/437015064.db2.gz MRIDCCGKPLLIQK-OAHLLOKOSA-N 1 3 335.452 0.887 20 30 ECEDHO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000289348284 437403932 /nfs/dbraw/zinc/40/39/32/437403932.db2.gz FVPYYXBIWGHZMR-CQSZACIVSA-N 1 3 327.473 0.202 20 30 ECEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000339300291 437453734 /nfs/dbraw/zinc/45/37/34/437453734.db2.gz BACRQTBDYLCOPZ-SJORKVTESA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000343733024 437639659 /nfs/dbraw/zinc/63/96/59/437639659.db2.gz AHJJJSPCWKVHDV-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733024 437639666 /nfs/dbraw/zinc/63/96/66/437639666.db2.gz AHJJJSPCWKVHDV-DOTOQJQBSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340513249 437679726 /nfs/dbraw/zinc/67/97/26/437679726.db2.gz XJUZBHPUQYDTLP-OAHLLOKOSA-N 1 3 348.491 0.744 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340513249 437679729 /nfs/dbraw/zinc/67/97/29/437679729.db2.gz XJUZBHPUQYDTLP-OAHLLOKOSA-N 1 3 348.491 0.744 20 30 ECEDHO CON1CCC(N(C)CC#CC[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000459583284 438977918 /nfs/dbraw/zinc/97/79/18/438977918.db2.gz SQLFSPCTYPBRSP-UHFFFAOYSA-N 1 3 338.496 0.905 20 30 ECEDHO CON1CCC(N(C)CC#CC[N@@H+](C)C2CCN(OC)CC2)CC1 ZINC000459583284 438977925 /nfs/dbraw/zinc/97/79/25/438977925.db2.gz SQLFSPCTYPBRSP-UHFFFAOYSA-N 1 3 338.496 0.905 20 30 ECEDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000561327593 322259306 /nfs/dbraw/zinc/25/93/06/322259306.db2.gz VDSFYUYBCBOJKK-OAHLLOKOSA-N 1 3 341.463 0.964 20 30 ECEDHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ncc1C#N ZINC000578546955 322867682 /nfs/dbraw/zinc/86/76/82/322867682.db2.gz TXLOZESWPOYVDA-UHFFFAOYSA-N 1 3 346.435 0.152 20 30 ECEDHO C#CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000843245299 589055383 /nfs/dbraw/zinc/05/53/83/589055383.db2.gz AGMWSGYKVKBONU-MRXNPFEDSA-N 1 3 336.480 0.200 20 30 ECEDHO C#CC[NH+]1CCC(C(=O)NC(C)(C)CN2CCN(CC)CC2)CC1 ZINC000857300251 589692936 /nfs/dbraw/zinc/69/29/36/589692936.db2.gz QHPDCIOBZAQQQQ-UHFFFAOYSA-N 1 3 334.508 0.864 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883713693 590654696 /nfs/dbraw/zinc/65/46/96/590654696.db2.gz UNXOTKBRVYCJIU-UHFFFAOYSA-N 1 3 336.480 0.884 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000884163349 590759537 /nfs/dbraw/zinc/75/95/37/590759537.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000884163349 590759540 /nfs/dbraw/zinc/75/95/40/590759540.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 1 3 347.507 0.552 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000884163349 590759545 /nfs/dbraw/zinc/75/95/45/590759545.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 1 3 347.507 0.552 20 30 ECEDHO CC#CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058064 610635850 /nfs/dbraw/zinc/63/58/50/610635850.db2.gz SLAPKFDOVHJQIL-JKSUJKDBSA-N 1 3 331.464 0.908 20 30 ECEDHO CC#CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058063 610636009 /nfs/dbraw/zinc/63/60/09/610636009.db2.gz SLAPKFDOVHJQIL-HZPDHXFCSA-N 1 3 331.464 0.908 20 30 ECEDHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167236079 733082233 /nfs/dbraw/zinc/08/22/33/733082233.db2.gz HALJKGYYPFUQTQ-UHFFFAOYSA-N 1 3 349.479 0.234 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001027233345 743243944 /nfs/dbraw/zinc/24/39/44/743243944.db2.gz ANSWYQDWVPSLRI-HNNXBMFYSA-N 1 3 344.463 0.098 20 30 ECEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cncn3C)C2)CC1 ZINC001027233861 743245206 /nfs/dbraw/zinc/24/52/06/743245206.db2.gz MGIXJFGLUOCPHS-INIZCTEOSA-N 1 3 343.475 0.703 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985615 745138305 /nfs/dbraw/zinc/13/83/05/745138305.db2.gz CGKOAYPAMXZNHK-DLBZAZTESA-N 1 3 344.463 0.669 20 30 ECEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001000991119 745956694 /nfs/dbraw/zinc/95/66/94/745956694.db2.gz GQELTNUIPONSJG-QGZVFWFLSA-N 1 3 343.475 0.846 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000261712166 752698220 /nfs/dbraw/zinc/69/82/20/752698220.db2.gz VKTJSTUTRYVFQD-XHSDSOJGSA-N 1 3 338.496 0.943 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)C1=O ZINC001030019454 753278884 /nfs/dbraw/zinc/27/88/84/753278884.db2.gz HNFXCCKXACRETM-ARFHVFGLSA-N 1 3 336.480 0.694 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC#CCOC)CC2)CC1 ZINC001168308759 754287530 /nfs/dbraw/zinc/28/75/30/754287530.db2.gz WAHFFNIEQVAQRC-UHFFFAOYSA-N 1 3 345.487 0.858 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)O)CC1 ZINC001021469582 757484313 /nfs/dbraw/zinc/48/43/13/757484313.db2.gz HLAABYPPQFGDII-MIGBEJBISA-N 1 3 333.476 0.824 20 30 ECEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)CC1 ZINC001021469582 757484318 /nfs/dbraw/zinc/48/43/18/757484318.db2.gz HLAABYPPQFGDII-MIGBEJBISA-N 1 3 333.476 0.824 20 30 ECEDHO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049083406 757915374 /nfs/dbraw/zinc/91/53/74/757915374.db2.gz BXDFZDZNKVEJLF-IJEWVQPXSA-N 1 3 343.431 0.129 20 30 ECEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049083406 757915378 /nfs/dbraw/zinc/91/53/78/757915378.db2.gz BXDFZDZNKVEJLF-IJEWVQPXSA-N 1 3 343.431 0.129 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)CC1 ZINC001032206481 759635698 /nfs/dbraw/zinc/63/56/98/759635698.db2.gz BUAUOHOSOPBXIA-SFHVURJKSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001032206637 759636439 /nfs/dbraw/zinc/63/64/39/759636439.db2.gz FHGCBPBRRSQAPF-UYAOXDASSA-N 1 3 345.487 0.806 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050233909 760010349 /nfs/dbraw/zinc/01/03/49/760010349.db2.gz DVZMPCOPVKNJJX-IAGOWNOFSA-N 1 3 348.491 0.697 20 30 ECEDHO C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598652 760551357 /nfs/dbraw/zinc/55/13/57/760551357.db2.gz NZRITNWDKXCBLO-OHTSDLOESA-N 1 3 343.471 0.797 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001046849475 763226185 /nfs/dbraw/zinc/22/61/85/763226185.db2.gz FWVOLMRZCPXRKW-LJQANCHMSA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046849475 763226193 /nfs/dbraw/zinc/22/61/93/763226193.db2.gz FWVOLMRZCPXRKW-LJQANCHMSA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037205 763653405 /nfs/dbraw/zinc/65/34/05/763653405.db2.gz HIFXCVQRSFUVBB-MOPGFXCFSA-N 1 3 344.503 0.879 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029976 766696702 /nfs/dbraw/zinc/69/67/02/766696702.db2.gz HDILDOQODPLFLE-QZTJIDSGSA-N 1 3 330.476 0.180 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCCO)CC3)CC1 ZINC000992512452 766750338 /nfs/dbraw/zinc/75/03/38/766750338.db2.gz SIKXRKHKQRCRAD-MJGOQNOKSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512452 766750340 /nfs/dbraw/zinc/75/03/40/766750340.db2.gz SIKXRKHKQRCRAD-MJGOQNOKSA-N 1 3 333.476 0.827 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@H](C)O)CC3)CC1 ZINC000992513878 766754373 /nfs/dbraw/zinc/75/43/73/766754373.db2.gz WZZBKRRYXQZGSH-WDYCEAGBSA-N 1 3 333.476 0.826 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@H](C)O)CC3)CC1 ZINC000992513878 766754376 /nfs/dbraw/zinc/75/43/76/766754376.db2.gz WZZBKRRYXQZGSH-WDYCEAGBSA-N 1 3 333.476 0.826 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064497 766842872 /nfs/dbraw/zinc/84/28/72/766842872.db2.gz OPXYHNLBAWDUTN-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064497 766842882 /nfs/dbraw/zinc/84/28/82/766842882.db2.gz OPXYHNLBAWDUTN-ROUUACIJSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064498 766843351 /nfs/dbraw/zinc/84/33/51/766843351.db2.gz OPXYHNLBAWDUTN-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064498 766843360 /nfs/dbraw/zinc/84/33/60/766843360.db2.gz OPXYHNLBAWDUTN-ZWKOTPCHSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064496 766844798 /nfs/dbraw/zinc/84/47/98/766844798.db2.gz OPXYHNLBAWDUTN-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064496 766844807 /nfs/dbraw/zinc/84/48/07/766844807.db2.gz OPXYHNLBAWDUTN-QZTJIDSGSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001046085162 766926315 /nfs/dbraw/zinc/92/63/15/766926315.db2.gz NAFVKVDXMNUVTQ-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085162 766926316 /nfs/dbraw/zinc/92/63/16/766926316.db2.gz NAFVKVDXMNUVTQ-QZTJIDSGSA-N 1 3 332.492 0.713 20 30 ECEDHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106796941 769009417 /nfs/dbraw/zinc/00/94/17/769009417.db2.gz GEXHUENRLBTFIB-HZPDHXFCSA-N 1 3 349.479 0.042 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289777 771109225 /nfs/dbraw/zinc/10/92/25/771109225.db2.gz CAERKXBMOAJLKM-LUKYLMHMSA-N 1 3 348.491 0.694 20 30 ECEDHO C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289777 771109229 /nfs/dbraw/zinc/10/92/29/771109229.db2.gz CAERKXBMOAJLKM-LUKYLMHMSA-N 1 3 348.491 0.694 20 30 ECEDHO CC#CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273938 780950113 /nfs/dbraw/zinc/95/01/13/780950113.db2.gz XPAQVJAINGUVKN-OKZBNKHCSA-N 1 3 345.487 0.901 20 30 ECEDHO CC#CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273938 780950120 /nfs/dbraw/zinc/95/01/20/780950120.db2.gz XPAQVJAINGUVKN-OKZBNKHCSA-N 1 3 345.487 0.901 20 30 ECEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489306 781618822 /nfs/dbraw/zinc/61/88/22/781618822.db2.gz SWQLZAKDXRDUEA-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489306 781618824 /nfs/dbraw/zinc/61/88/24/781618824.db2.gz SWQLZAKDXRDUEA-NSPNGIHDSA-N 1 3 343.471 0.797 20 30 ECEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700669 786999923 /nfs/dbraw/zinc/99/99/23/786999923.db2.gz SXJXGIPYAXECHK-ISXWCOSWSA-N 1 3 349.475 0.633 20 30 ECEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700669 786999927 /nfs/dbraw/zinc/99/99/27/786999927.db2.gz SXJXGIPYAXECHK-ISXWCOSWSA-N 1 3 349.475 0.633 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709871 787018040 /nfs/dbraw/zinc/01/80/40/787018040.db2.gz KRLXDWKZPLKSJE-DHADLLTHSA-N 1 3 347.459 0.080 20 30 ECEDHO C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709871 787018049 /nfs/dbraw/zinc/01/80/49/787018049.db2.gz KRLXDWKZPLKSJE-DHADLLTHSA-N 1 3 347.459 0.080 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267565497 837781925 /nfs/dbraw/zinc/78/19/25/837781925.db2.gz NYQQJOITFFRELM-HOTGVXAUSA-N 1 3 336.480 0.459 20 30 ECEDHO C=CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267565497 837781932 /nfs/dbraw/zinc/78/19/32/837781932.db2.gz NYQQJOITFFRELM-HOTGVXAUSA-N 1 3 336.480 0.459 20 30 ECEDHO C#CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881582 836430031 /nfs/dbraw/zinc/43/00/31/836430031.db2.gz YIOUFKRBLQKCCQ-HOTGVXAUSA-N 1 3 346.475 0.191 20 30 ECEDHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419991975 209270602 /nfs/dbraw/zinc/27/06/02/209270602.db2.gz JBWCQTZXKJMZPG-CQSZACIVSA-N 1 3 345.447 0.302 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076458581 436207393 /nfs/dbraw/zinc/20/73/93/436207393.db2.gz VDFIEIVNGDOSPG-MRXNPFEDSA-N 1 3 334.464 0.035 20 30 ECEDHO C#CCN1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076458581 436207403 /nfs/dbraw/zinc/20/74/03/436207403.db2.gz VDFIEIVNGDOSPG-MRXNPFEDSA-N 1 3 334.464 0.035 20 30 ECEDHO C=CCN1CCC(NC(NC[C@@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262796512 436942503 /nfs/dbraw/zinc/94/25/03/436942503.db2.gz PMPQGNMJJJPEHH-HNNXBMFYSA-N 1 3 345.495 0.964 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264106124 437017613 /nfs/dbraw/zinc/01/76/13/437017613.db2.gz PMBMAAHZNWYUFK-CABCVRRESA-N 1 3 338.427 0.954 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000330122148 437457087 /nfs/dbraw/zinc/45/70/87/437457087.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 1 3 337.468 0.233 20 30 ECEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000330122148 437457089 /nfs/dbraw/zinc/45/70/89/437457089.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 1 3 337.468 0.233 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000343754283 437646772 /nfs/dbraw/zinc/64/67/72/437646772.db2.gz CKQCFPWZYYEVFN-CQSZACIVSA-N 1 3 338.496 0.846 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000343764493 437649116 /nfs/dbraw/zinc/64/91/16/437649116.db2.gz LNMZLLXDIYBYFV-UHFFFAOYSA-N 1 3 338.496 0.943 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478663 437656915 /nfs/dbraw/zinc/65/69/15/437656915.db2.gz CSUOXULUDDMUQC-DLBZAZTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478663 437656919 /nfs/dbraw/zinc/65/69/19/437656919.db2.gz CSUOXULUDDMUQC-DLBZAZTESA-N 1 3 348.491 0.886 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424487325 437955802 /nfs/dbraw/zinc/95/58/02/437955802.db2.gz AUEOTWOSXBKKEH-HNNXBMFYSA-N 1 3 348.491 0.744 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419724018 438369990 /nfs/dbraw/zinc/36/99/90/438369990.db2.gz GTZWLBUFYRSMKX-BHYGNILZSA-N 1 3 348.491 0.729 20 30 ECEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)CC1 ZINC000557631883 438802516 /nfs/dbraw/zinc/80/25/16/438802516.db2.gz NYZGQRBSXKUATI-KRWDZBQOSA-N 1 3 334.464 0.934 20 30 ECEDHO N#Cc1ncn(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601965052 438993660 /nfs/dbraw/zinc/99/36/60/438993660.db2.gz MTIGRKVNFFJPSQ-KRWDZBQOSA-N 1 3 326.404 0.376 20 30 ECEDHO N#Cc1ncn(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601965052 438993665 /nfs/dbraw/zinc/99/36/65/438993665.db2.gz MTIGRKVNFFJPSQ-KRWDZBQOSA-N 1 3 326.404 0.376 20 30 ECEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437925 439559833 /nfs/dbraw/zinc/55/98/33/439559833.db2.gz LNXXOFFWVBKSBW-GJZGRUSLSA-N 1 3 337.468 0.457 20 30 ECEDHO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732558938 578327381 /nfs/dbraw/zinc/32/73/81/578327381.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 1 3 332.492 0.711 20 30 ECEDHO CCC(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N(C)C ZINC000104161084 586333853 /nfs/dbraw/zinc/33/38/53/586333853.db2.gz CDLMZHXOHLRFJL-INIZCTEOSA-N 1 3 327.517 0.979 20 30 ECEDHO C#CC[C@@H](COC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858189849 589729651 /nfs/dbraw/zinc/72/96/51/589729651.db2.gz ULAWDZKAQHACBS-INIZCTEOSA-N 1 3 336.480 0.883 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861634462 589869416 /nfs/dbraw/zinc/86/94/16/589869416.db2.gz JHQJKZHWIJSODE-KRWDZBQOSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876759009 590410470 /nfs/dbraw/zinc/41/04/70/590410470.db2.gz MWUPAURRCFZSDC-CYBMUJFWSA-N 1 3 330.860 0.515 20 30 ECEDHO C#CCN1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199330 590772085 /nfs/dbraw/zinc/77/20/85/590772085.db2.gz WPZBPMWVNIKHPZ-QZTJIDSGSA-N 1 3 349.523 0.657 20 30 ECEDHO C=CCN1CCC(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884214264 590777351 /nfs/dbraw/zinc/77/73/51/590777351.db2.gz XMRJGIGBHHXYLE-UHFFFAOYSA-N 1 3 329.448 0.871 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884642099 590882029 /nfs/dbraw/zinc/88/20/29/590882029.db2.gz ANMVOANYDHGMMD-IBGZPJMESA-N 1 3 348.491 0.745 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000911235861 609829713 /nfs/dbraw/zinc/82/97/13/609829713.db2.gz JOHJLCNPDIGJCK-GOSISDBHSA-N 1 3 334.464 0.498 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000939811798 610137344 /nfs/dbraw/zinc/13/73/44/610137344.db2.gz UQYSWIVMJHAEED-CRAIPNDOSA-N 1 3 343.475 0.702 20 30 ECEDHO C=CCOCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561343 735494242 /nfs/dbraw/zinc/49/42/42/735494242.db2.gz ACFOSKMRPIPLLT-UHFFFAOYSA-N 1 3 339.480 0.570 20 30 ECEDHO C=CCOCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561343 735494246 /nfs/dbraw/zinc/49/42/46/735494246.db2.gz ACFOSKMRPIPLLT-UHFFFAOYSA-N 1 3 339.480 0.570 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000970919738 734089379 /nfs/dbraw/zinc/08/93/79/734089379.db2.gz FVEKRMJVKGBNEH-HOTGVXAUSA-N 1 3 333.476 0.805 20 30 ECEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560677 738107185 /nfs/dbraw/zinc/10/71/85/738107185.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560677 738107186 /nfs/dbraw/zinc/10/71/86/738107186.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 1 3 331.460 0.844 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1=O ZINC000997006399 743119487 /nfs/dbraw/zinc/11/94/87/743119487.db2.gz LXCOBIXSGDXQGI-WBVHZDCISA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218048 743195340 /nfs/dbraw/zinc/19/53/40/743195340.db2.gz WQTVDXXFWZLWOQ-HOTGVXAUSA-N 1 3 334.464 0.307 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218050 743195803 /nfs/dbraw/zinc/19/58/03/743195803.db2.gz WQTVDXXFWZLWOQ-JKSUJKDBSA-N 1 3 334.464 0.307 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999373166 744663699 /nfs/dbraw/zinc/66/36/99/744663699.db2.gz FQHITJOCVPVYJN-NVXWUHKLSA-N 1 3 348.491 0.838 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138177 /nfs/dbraw/zinc/13/81/77/745138177.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 1 3 332.452 0.667 20 30 ECEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138179 /nfs/dbraw/zinc/13/81/79/745138179.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 1 3 332.452 0.667 20 30 ECEDHO C=CCN1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000032978 745207088 /nfs/dbraw/zinc/20/70/88/745207088.db2.gz AZUJIXGWPHRJHU-HNNXBMFYSA-N 1 3 330.436 0.423 20 30 ECEDHO C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045847 745226434 /nfs/dbraw/zinc/22/64/34/745226434.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 1 3 332.452 0.669 20 30 ECEDHO C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045847 745226441 /nfs/dbraw/zinc/22/64/41/745226441.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 1 3 332.452 0.669 20 30 ECEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996675358 758442764 /nfs/dbraw/zinc/44/27/64/758442764.db2.gz XXCHODGPRKQWHM-JKSUJKDBSA-N 1 3 346.475 0.047 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001046849473 763227483 /nfs/dbraw/zinc/22/74/83/763227483.db2.gz FWVOLMRZCPXRKW-IBGZPJMESA-N 1 3 343.475 0.809 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046849473 763227489 /nfs/dbraw/zinc/22/74/89/763227489.db2.gz FWVOLMRZCPXRKW-IBGZPJMESA-N 1 3 343.475 0.809 20 30 ECEDHO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046895724 763327355 /nfs/dbraw/zinc/32/73/55/763327355.db2.gz ABOVJOSBLHNGOP-QAPCUYQASA-N 1 3 345.447 0.567 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337533 766144963 /nfs/dbraw/zinc/14/49/63/766144963.db2.gz RKRDFGPBOOVVDK-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337533 766144966 /nfs/dbraw/zinc/14/49/66/766144966.db2.gz RKRDFGPBOOVVDK-SJLPKXTDSA-N 1 3 333.476 0.949 20 30 ECEDHO C#CCN1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069994 766871501 /nfs/dbraw/zinc/87/15/01/766871501.db2.gz LBPYURCGDOPNPT-GOSISDBHSA-N 1 3 332.492 0.570 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001046085163 766926334 /nfs/dbraw/zinc/92/63/34/766926334.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085163 766926335 /nfs/dbraw/zinc/92/63/35/766926335.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 1 3 332.492 0.713 20 30 ECEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194580 783632453 /nfs/dbraw/zinc/63/24/53/783632453.db2.gz CUGWAXYLGXKEEB-OAGGEKHMSA-N 1 3 330.436 0.147 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534729 784239556 /nfs/dbraw/zinc/23/95/56/784239556.db2.gz LELCVFMHXRJZJT-HLLBOEOZSA-N 1 3 329.448 0.279 20 30 ECEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534729 784239560 /nfs/dbraw/zinc/23/95/60/784239560.db2.gz LELCVFMHXRJZJT-HLLBOEOZSA-N 1 3 329.448 0.279 20 30 ECEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001070718601 784592883 /nfs/dbraw/zinc/59/28/83/784592883.db2.gz BRIAKZOEDJWQBG-HZPDHXFCSA-N 1 3 331.464 0.976 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001071259220 784869010 /nfs/dbraw/zinc/86/90/10/784869010.db2.gz CIXQEJRSBBJSAX-QGZVFWFLSA-N 1 3 348.491 0.391 20 30 ECEDHO C#CCNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569387 837794670 /nfs/dbraw/zinc/79/46/70/837794670.db2.gz UHSPCXJAQBPGKV-JKSUJKDBSA-N 1 3 346.475 0.048 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545649 835966497 /nfs/dbraw/zinc/96/64/97/835966497.db2.gz YLYUWGROYWMLLT-FZKCQIBNSA-N 1 3 334.464 0.045 20 30 ECEDHO C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545649 835966499 /nfs/dbraw/zinc/96/64/99/835966499.db2.gz YLYUWGROYWMLLT-FZKCQIBNSA-N 1 3 334.464 0.045 20 30 ECEDHO C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545650 835966821 /nfs/dbraw/zinc/96/68/21/835966821.db2.gz YLYUWGROYWMLLT-VGWMRTNUSA-N 1 3 334.464 0.045 20 30 ECEDHO C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545650 835966827 /nfs/dbraw/zinc/96/68/27/835966827.db2.gz YLYUWGROYWMLLT-VGWMRTNUSA-N 1 3 334.464 0.045 20 30 ECEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266620391 836057503 /nfs/dbraw/zinc/05/75/03/836057503.db2.gz VOQCBJJSMMFNBM-RBSFLKMASA-N 1 3 338.496 0.892 20 30 ECEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC1 ZINC001266639852 836076246 /nfs/dbraw/zinc/07/62/46/836076246.db2.gz JKDUQVJCCKBWQQ-QAQDUYKDSA-N 1 3 346.475 0.095 20 30 ECEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266731096 836211045 /nfs/dbraw/zinc/21/10/45/836211045.db2.gz QXFSGNSRXHTIKW-JKSUJKDBSA-N 1 3 336.480 0.696 20 30 ECEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001266731096 836211050 /nfs/dbraw/zinc/21/10/50/836211050.db2.gz QXFSGNSRXHTIKW-JKSUJKDBSA-N 1 3 336.480 0.696 20 30 ECEDHO C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001267971117 838893014 /nfs/dbraw/zinc/89/30/14/838893014.db2.gz ZMUQZQYDPIICQA-QGZVFWFLSA-N 1 3 348.491 0.583 20 30 ECEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001267999524 838949157 /nfs/dbraw/zinc/94/91/57/838949157.db2.gz QRWNTWWJTREWMN-HUUCEWRRSA-N 1 3 336.480 0.341 20 30 ECEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000340215832 437604304 /nfs/dbraw/zinc/60/43/04/437604304.db2.gz VMWPGQAAWHYZJY-OAHLLOKOSA-N 1 3 336.480 0.601 20 30 ECEDHO COCCNC(=[NH2+])NCCCN1CCN(Cc2ccccc2)CC1 ZINC000264092834 437017136 /nfs/dbraw/zinc/01/71/36/437017136.db2.gz LLWORXAINFJKBT-UHFFFAOYSA-N 1 3 333.480 0.745 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000343737044 437643037 /nfs/dbraw/zinc/64/30/37/437643037.db2.gz HOQQCCURMGKECR-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000343737044 437643042 /nfs/dbraw/zinc/64/30/42/437643042.db2.gz HOQQCCURMGKECR-NVXWUHKLSA-N 1 3 348.491 0.696 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343757531 437646834 /nfs/dbraw/zinc/64/68/34/437646834.db2.gz GHELJHKKONIQIE-ZBFHGGJFSA-N 1 3 336.480 0.742 20 30 ECEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343757531 437646839 /nfs/dbraw/zinc/64/68/39/437646839.db2.gz GHELJHKKONIQIE-ZBFHGGJFSA-N 1 3 336.480 0.742 20 30 ECEDHO CC1CC[NH+](C[C@@H](O)CNC[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498632 439148021 /nfs/dbraw/zinc/14/80/21/439148021.db2.gz HWMDUAFDYJJHKO-ZBFHGGJFSA-N 1 3 332.452 0.479 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427910 439382716 /nfs/dbraw/zinc/38/27/16/439382716.db2.gz MMJUVASIEYYYNS-DLBZAZTESA-N 1 3 336.480 0.869 20 30 ECEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCOCC1 ZINC000820086494 587508340 /nfs/dbraw/zinc/50/83/40/587508340.db2.gz GBXXGCMUXJPWIC-RDJZCZTQSA-N 1 3 338.496 0.986 20 30 ECEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCOCC1 ZINC000820086494 587508342 /nfs/dbraw/zinc/50/83/42/587508342.db2.gz GBXXGCMUXJPWIC-RDJZCZTQSA-N 1 3 338.496 0.986 20 30 ECEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166795 589189745 /nfs/dbraw/zinc/18/97/45/589189745.db2.gz CUWHQPIKDZYCIJ-BBWFWOEESA-N 1 3 336.480 0.869 20 30 ECEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CCN(CC)CC1 ZINC000104174712 591053306 /nfs/dbraw/zinc/05/33/06/591053306.db2.gz PLFPUTSUIXDMHD-DLBZAZTESA-N 1 3 338.544 0.649 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CCN(C)CC1 ZINC000910886029 609773718 /nfs/dbraw/zinc/77/37/18/609773718.db2.gz JEIBBLAXOSRWGB-RDJZCZTQSA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CCN(C)CC1 ZINC000910886029 609773721 /nfs/dbraw/zinc/77/37/21/609773721.db2.gz JEIBBLAXOSRWGB-RDJZCZTQSA-N 1 3 346.475 0.095 20 30 ECEDHO C#CCN(C(=O)C(=O)NCCN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000929402604 611752250 /nfs/dbraw/zinc/75/22/50/611752250.db2.gz OUHINOSNQAKFNV-UHFFFAOYSA-N 1 3 348.491 0.391 20 30 ECEDHO