smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000104177154 543125388 /nfs/dbraw/zinc/12/53/88/543125388.db2.gz PVRUKUVPZMTWLC-SFHVURJKSA-N 1 3 372.517 2.203 20 30 FEEDHO CCO[C@H](CC[NH+](C)C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180285477 327679428 /nfs/dbraw/zinc/67/94/28/327679428.db2.gz AKTUSNIEWPCCPN-LJQANCHMSA-N 1 3 355.486 2.405 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000120246929 326243853 /nfs/dbraw/zinc/24/38/53/326243853.db2.gz XTCJBQHXAZOXDQ-UHFFFAOYSA-N 1 3 359.449 2.377 20 30 FEEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)Nc1ccccn1 ZINC000170904358 546181478 /nfs/dbraw/zinc/18/14/78/546181478.db2.gz WLDSVOWZGMGMBJ-UHFFFAOYSA-N 1 3 352.486 2.411 20 30 FEEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000481662108 561238113 /nfs/dbraw/zinc/23/81/13/561238113.db2.gz UUQAWIHBGVDXST-QFIPXVFZSA-N 1 3 370.541 2.305 20 30 FEEDHO COc1ccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000273015955 550480946 /nfs/dbraw/zinc/48/09/46/550480946.db2.gz WKTCPUJWYQXXRO-GOSISDBHSA-N 1 3 354.454 2.189 20 30 FEEDHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+]1CCCCCC1 ZINC000329172506 553894870 /nfs/dbraw/zinc/89/48/70/553894870.db2.gz AGHDRBOJLNWFBE-OOKSDGMUSA-N 1 3 364.534 2.291 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418352585 559398639 /nfs/dbraw/zinc/39/86/39/559398639.db2.gz TYYVRUHQBMPWDN-SFHVURJKSA-N 1 3 357.502 2.021 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305580 /nfs/dbraw/zinc/30/55/80/560305580.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305581 /nfs/dbraw/zinc/30/55/81/560305581.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305582 /nfs/dbraw/zinc/30/55/82/560305582.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305583 /nfs/dbraw/zinc/30/55/83/560305583.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 1 3 360.542 2.241 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459251821 560676154 /nfs/dbraw/zinc/67/61/54/560676154.db2.gz GMSJHCZPFCDWCS-LJQANCHMSA-N 1 3 371.529 2.363 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459251821 560676155 /nfs/dbraw/zinc/67/61/55/560676155.db2.gz GMSJHCZPFCDWCS-LJQANCHMSA-N 1 3 371.529 2.363 20 30 FEEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000462006165 560791932 /nfs/dbraw/zinc/79/19/32/560791932.db2.gz VHRWUWQYQGGSEK-KRWDZBQOSA-N 1 3 359.518 2.360 20 30 FEEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000462006165 560791933 /nfs/dbraw/zinc/79/19/33/560791933.db2.gz VHRWUWQYQGGSEK-KRWDZBQOSA-N 1 3 359.518 2.360 20 30 FEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000591580700 672691815 /nfs/dbraw/zinc/69/18/15/672691815.db2.gz NKZADKGPCFCTNL-IRXDYDNUSA-N 1 3 352.404 2.361 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1 ZINC000303895140 673018464 /nfs/dbraw/zinc/01/84/64/673018464.db2.gz SZMVGSZNBDVOTQ-AWEZNQCLSA-N 1 3 369.307 2.217 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876520177 686214347 /nfs/dbraw/zinc/21/43/47/686214347.db2.gz RSKWHBGOWAJWRL-OAHLLOKOSA-N 1 3 351.834 2.004 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081613820 542668181 /nfs/dbraw/zinc/66/81/81/542668181.db2.gz QURVZBMYMAIAER-VQTJNVASSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081613820 542668185 /nfs/dbraw/zinc/66/81/85/542668185.db2.gz QURVZBMYMAIAER-VQTJNVASSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081613816 542668364 /nfs/dbraw/zinc/66/83/64/542668364.db2.gz QURVZBMYMAIAER-PMACEKPBSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081613816 542668368 /nfs/dbraw/zinc/66/83/68/542668368.db2.gz QURVZBMYMAIAER-PMACEKPBSA-N 1 3 354.498 2.323 20 30 FEEDHO C#CCN1CCC(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112186477 543433515 /nfs/dbraw/zinc/43/35/15/543433515.db2.gz MIYNOETYHWFMFX-UHFFFAOYSA-N 1 3 363.571 2.200 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000155349569 545515630 /nfs/dbraw/zinc/51/56/30/545515630.db2.gz JUUAXSJZJDNRLD-KRWDZBQOSA-N 1 3 354.498 2.068 20 30 FEEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170912535 546182725 /nfs/dbraw/zinc/18/27/25/546182725.db2.gz WCJUJNNLSZIXCM-UHFFFAOYSA-N 1 3 352.486 2.146 20 30 FEEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000171736690 546223707 /nfs/dbraw/zinc/22/37/07/546223707.db2.gz SXYSWINOTYEKKI-UHFFFAOYSA-N 1 3 369.513 2.282 20 30 FEEDHO C=CCN1CCC(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000264398217 549995276 /nfs/dbraw/zinc/99/52/76/549995276.db2.gz YWLQDLZYOLWLBV-UHFFFAOYSA-N 1 3 374.529 2.119 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536734 550383553 /nfs/dbraw/zinc/38/35/53/550383553.db2.gz XVEGPOCGDFYMBS-MGVNEBLISA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536734 550383555 /nfs/dbraw/zinc/38/35/55/550383555.db2.gz XVEGPOCGDFYMBS-MGVNEBLISA-N 1 3 368.481 2.013 20 30 FEEDHO C[N@H+](C[C@H]1CC12CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618196 554975796 /nfs/dbraw/zinc/97/57/96/554975796.db2.gz WYQOMWDITWQBCJ-QUCCMNQESA-N 1 3 369.509 2.494 20 30 FEEDHO C[N@@H+](C[C@H]1CC12CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618196 554975797 /nfs/dbraw/zinc/97/57/97/554975797.db2.gz WYQOMWDITWQBCJ-QUCCMNQESA-N 1 3 369.509 2.494 20 30 FEEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517129665 562076637 /nfs/dbraw/zinc/07/66/37/562076637.db2.gz INIIHLWNCALRQZ-NHCUHLMSSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129665 562076638 /nfs/dbraw/zinc/07/66/38/562076638.db2.gz INIIHLWNCALRQZ-NHCUHLMSSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000517129665 562076639 /nfs/dbraw/zinc/07/66/39/562076639.db2.gz INIIHLWNCALRQZ-NHCUHLMSSA-N 1 3 358.530 2.085 20 30 FEEDHO N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000376122236 558129696 /nfs/dbraw/zinc/12/96/96/558129696.db2.gz GHWOMCYEVHSMCF-VAMGGRTRSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000376122236 558129697 /nfs/dbraw/zinc/12/96/97/558129697.db2.gz GHWOMCYEVHSMCF-VAMGGRTRSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000376122236 558129699 /nfs/dbraw/zinc/12/96/99/558129699.db2.gz GHWOMCYEVHSMCF-VAMGGRTRSA-N 1 3 364.497 2.430 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049619 562274574 /nfs/dbraw/zinc/27/45/74/562274574.db2.gz GCTCEYZGDRJNKR-YRWFTTLQSA-N 1 3 354.498 2.295 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(C)C ZINC000423351372 559626338 /nfs/dbraw/zinc/62/63/38/559626338.db2.gz YZHZHVHKBNQOKK-MOPGFXCFSA-N 1 3 359.518 2.236 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602557803 567991380 /nfs/dbraw/zinc/99/13/80/567991380.db2.gz JGANRLKZLFIOJJ-GHTZIAJQSA-N 1 3 357.498 2.312 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557803 567991381 /nfs/dbraw/zinc/99/13/81/567991381.db2.gz JGANRLKZLFIOJJ-GHTZIAJQSA-N 1 3 357.498 2.312 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC ZINC000303989628 673019754 /nfs/dbraw/zinc/01/97/54/673019754.db2.gz XSMLCKGLAHPNOU-AWEZNQCLSA-N 1 3 369.307 2.346 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1 ZINC000127057675 543970913 /nfs/dbraw/zinc/97/09/13/543970913.db2.gz IZIRWGDKVNTOQX-UHFFFAOYSA-N 1 3 369.509 2.175 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131784919 544206729 /nfs/dbraw/zinc/20/67/29/544206729.db2.gz PCAVEAPZMFUTDJ-UYAOXDASSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131784919 544206731 /nfs/dbraw/zinc/20/67/31/544206731.db2.gz PCAVEAPZMFUTDJ-UYAOXDASSA-N 1 3 353.510 2.358 20 30 FEEDHO [NH2+]=C(NCCCN1CCC(O)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264111788 549980119 /nfs/dbraw/zinc/98/01/19/549980119.db2.gz RCSVEZHNTDKSND-UHFFFAOYSA-N 1 3 360.380 2.159 20 30 FEEDHO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264121769 549981412 /nfs/dbraw/zinc/98/14/12/549981412.db2.gz VGUBMXZQEPVJDZ-QAPCUYQASA-N 1 3 359.518 2.104 20 30 FEEDHO CN1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000281805595 551145087 /nfs/dbraw/zinc/14/50/87/551145087.db2.gz POJNIMSAYQAHMX-UHFFFAOYSA-N 1 3 371.451 2.136 20 30 FEEDHO [NH2+]=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666474 552194823 /nfs/dbraw/zinc/19/48/23/552194823.db2.gz HCPNVFPJFGYYCL-MRXNPFEDSA-N 1 3 360.408 2.111 20 30 FEEDHO C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703295 554982170 /nfs/dbraw/zinc/98/21/70/554982170.db2.gz PYRIJDXNMAHCTJ-WIYYLYMNSA-N 1 3 356.514 2.285 20 30 FEEDHO COc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N ZINC000375234147 557996125 /nfs/dbraw/zinc/99/61/25/557996125.db2.gz OYUJLEIZZBJSMB-UHFFFAOYSA-N 1 3 356.514 2.416 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000602709274 568018584 /nfs/dbraw/zinc/01/85/84/568018584.db2.gz JCWHBMPMHQJUNF-YLJYHZDGSA-N 1 3 357.498 2.442 20 30 FEEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652305 674963782 /nfs/dbraw/zinc/96/37/82/674963782.db2.gz XGFQPSSZKNGINP-QGZVFWFLSA-N 1 3 365.543 2.323 20 30 FEEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652305 674963785 /nfs/dbraw/zinc/96/37/85/674963785.db2.gz XGFQPSSZKNGINP-QGZVFWFLSA-N 1 3 365.543 2.323 20 30 FEEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000591580701 672691842 /nfs/dbraw/zinc/69/18/42/672691842.db2.gz NKZADKGPCFCTNL-SJORKVTESA-N 1 3 352.404 2.361 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303888142 673018408 /nfs/dbraw/zinc/01/84/08/673018408.db2.gz LGCBNIUYGXCRPQ-ZDUSSCGKSA-N 1 3 356.417 2.185 20 30 FEEDHO CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000912506511 685388433 /nfs/dbraw/zinc/38/84/33/685388433.db2.gz OBZRIQAEANHVMA-LSDHHAIUSA-N 1 3 350.532 2.445 20 30 FEEDHO CN(C)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1 ZINC000884312767 687844869 /nfs/dbraw/zinc/84/48/69/687844869.db2.gz NJAVZDFTDVPELF-VOLNDZDFSA-N 1 3 360.889 2.198 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000176382526 546438414 /nfs/dbraw/zinc/43/84/14/546438414.db2.gz WYDUAUKVFCHISP-UHFFFAOYSA-N 1 3 373.476 2.055 20 30 FEEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)N(C)CCC#N ZINC000189948293 548313712 /nfs/dbraw/zinc/31/37/12/548313712.db2.gz NBRNFQIJMFRVKR-QZTJIDSGSA-N 1 3 356.514 2.495 20 30 FEEDHO C(#CC[NH+]1CCC(n2ccnc2)CC1)CN1CCC(n2ccnc2)CC1 ZINC000276280651 550577823 /nfs/dbraw/zinc/57/78/23/550577823.db2.gz FTGKLOOHTIPTAA-UHFFFAOYSA-N 1 3 352.486 2.057 20 30 FEEDHO N#Cc1ccc(CC(C#N)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000280960556 551049468 /nfs/dbraw/zinc/04/94/68/551049468.db2.gz QZJKPTJUSFUJNN-IBGZPJMESA-N 1 3 366.465 2.002 20 30 FEEDHO CN1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000281854512 551148598 /nfs/dbraw/zinc/14/85/98/551148598.db2.gz UWGGPRRLKADLSS-UHFFFAOYSA-N 1 3 373.423 2.338 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000291635930 552646056 /nfs/dbraw/zinc/64/60/56/552646056.db2.gz BKOSMFLUKCNVII-CTNGQTDRSA-N 1 3 351.494 2.475 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000291635930 552646057 /nfs/dbraw/zinc/64/60/57/552646057.db2.gz BKOSMFLUKCNVII-CTNGQTDRSA-N 1 3 351.494 2.475 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000291635930 552646058 /nfs/dbraw/zinc/64/60/58/552646058.db2.gz BKOSMFLUKCNVII-CTNGQTDRSA-N 1 3 351.494 2.475 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368417936 556303097 /nfs/dbraw/zinc/30/30/97/556303097.db2.gz VFYAHFORLTUCHT-QXAKKESOSA-N 1 3 373.497 2.425 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368417936 556303102 /nfs/dbraw/zinc/30/31/02/556303102.db2.gz VFYAHFORLTUCHT-QXAKKESOSA-N 1 3 373.497 2.425 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711140 556946492 /nfs/dbraw/zinc/94/64/92/556946492.db2.gz WBNLIHNDGOMMPY-WAOWUJCRSA-N 1 3 356.514 2.435 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711140 556946494 /nfs/dbraw/zinc/94/64/94/556946494.db2.gz WBNLIHNDGOMMPY-WAOWUJCRSA-N 1 3 356.514 2.435 20 30 FEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000372567397 557506961 /nfs/dbraw/zinc/50/69/61/557506961.db2.gz FVMVVSQRDVJCAI-DCXXXQMHSA-N 1 3 363.546 2.334 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415601631 559254213 /nfs/dbraw/zinc/25/42/13/559254213.db2.gz PXJSYYAVUNUYPY-HZSPNIEDSA-N 1 3 364.471 2.011 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418743427 559413447 /nfs/dbraw/zinc/41/34/47/559413447.db2.gz ATBVXVPFEQAAJN-LJQANCHMSA-N 1 3 357.502 2.164 20 30 FEEDHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCC#N)CCOCC1)c1ccccc1 ZINC000424147218 559656038 /nfs/dbraw/zinc/65/60/38/559656038.db2.gz QVCQMLILRNMYHG-WMZOPIPTSA-N 1 3 358.486 2.024 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl ZINC000126155471 672020948 /nfs/dbraw/zinc/02/09/48/672020948.db2.gz JVUYPMGRIXDNEQ-GFCCVEGCSA-N 1 3 360.289 2.156 20 30 FEEDHO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000303975524 673019187 /nfs/dbraw/zinc/01/91/87/673019187.db2.gz JDIZHDBQOONTCR-IAGOWNOFSA-N 1 3 353.555 2.048 20 30 FEEDHO CCN(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccsc1 ZINC000884188678 687811445 /nfs/dbraw/zinc/81/14/45/687811445.db2.gz NKGLUTHJPABLFO-DHADLLTHSA-N 1 3 360.527 2.387 20 30 FEEDHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000263894674 549952021 /nfs/dbraw/zinc/95/20/21/549952021.db2.gz VEVZZEFEFOXJNT-KRWDZBQOSA-N 1 3 359.518 2.362 20 30 FEEDHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000263894674 549952022 /nfs/dbraw/zinc/95/20/22/549952022.db2.gz VEVZZEFEFOXJNT-KRWDZBQOSA-N 1 3 359.518 2.362 20 30 FEEDHO CC[NH+](CC)CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000298685101 553458547 /nfs/dbraw/zinc/45/85/47/553458547.db2.gz YNQLGPSMSPPLBG-UHFFFAOYSA-N 1 3 359.518 2.363 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755119 561679449 /nfs/dbraw/zinc/67/94/49/561679449.db2.gz PZXSBUJPYUXHJM-FQEVSTJZSA-N 1 3 356.514 2.365 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755119 561679451 /nfs/dbraw/zinc/67/94/51/561679451.db2.gz PZXSBUJPYUXHJM-FQEVSTJZSA-N 1 3 356.514 2.365 20 30 FEEDHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)CCCC#N)CCOCC1)c1ccccc1 ZINC000424147216 559656076 /nfs/dbraw/zinc/65/60/76/559656076.db2.gz QVCQMLILRNMYHG-FUHWJXTLSA-N 1 3 358.486 2.024 20 30 FEEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C#N)s3)CC2)CC1 ZINC000584301480 672175026 /nfs/dbraw/zinc/17/50/26/672175026.db2.gz VNJBILMRKFAUPF-UHFFFAOYSA-N 1 3 360.527 2.432 20 30 FEEDHO COc1ccc(CCNC(=[NH2+])NCCN(C(C)C)C(C)C)cc1OC ZINC000303717500 673017070 /nfs/dbraw/zinc/01/70/70/673017070.db2.gz UCCASJACDRNWSH-UHFFFAOYSA-N 1 3 350.507 2.269 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1 ZINC000303898640 673018427 /nfs/dbraw/zinc/01/84/27/673018427.db2.gz VOBGCXWSAXPIJC-LBPRGKRZSA-N 1 3 357.271 2.477 20 30 FEEDHO CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000912507651 685388823 /nfs/dbraw/zinc/38/88/23/685388823.db2.gz YYFMYIAEMAVILZ-HZPDHXFCSA-N 1 3 364.559 2.488 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000876765844 686263860 /nfs/dbraw/zinc/26/38/60/686263860.db2.gz YZBNMHWSRXNYKT-QGZVFWFLSA-N 1 3 351.878 2.247 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000139914560 544405810 /nfs/dbraw/zinc/40/58/10/544405810.db2.gz GDQONEHQXMLSNV-KRWDZBQOSA-N 1 3 359.539 2.422 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000172185610 546240083 /nfs/dbraw/zinc/24/00/83/546240083.db2.gz BQHRZZPTDXAIGO-XLIONFOSSA-N 1 3 371.529 2.242 20 30 FEEDHO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272562266 550458207 /nfs/dbraw/zinc/45/82/07/550458207.db2.gz GUMVMTXFDOQYMW-WLOXRLQYSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H](NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562266 550458208 /nfs/dbraw/zinc/45/82/08/550458208.db2.gz GUMVMTXFDOQYMW-WLOXRLQYSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H](NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562266 550458209 /nfs/dbraw/zinc/45/82/09/550458209.db2.gz GUMVMTXFDOQYMW-WLOXRLQYSA-N 1 3 368.481 2.013 20 30 FEEDHO CCO[C@H](CC[NH+](C)C)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278692908 550811937 /nfs/dbraw/zinc/81/19/37/550811937.db2.gz QEUCHZQQWCNYGM-LJQANCHMSA-N 1 3 370.501 2.305 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123312 553712764 /nfs/dbraw/zinc/71/27/64/553712764.db2.gz VHEATYNNCXPMGS-KRWDZBQOSA-N 1 3 358.490 2.142 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123312 553712766 /nfs/dbraw/zinc/71/27/66/553712766.db2.gz VHEATYNNCXPMGS-KRWDZBQOSA-N 1 3 358.490 2.142 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000305631269 553748328 /nfs/dbraw/zinc/74/83/28/553748328.db2.gz FPTQRJIJZYGLKU-GOEBONIOSA-N 1 3 356.474 2.229 20 30 FEEDHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000329951637 554038013 /nfs/dbraw/zinc/03/80/13/554038013.db2.gz MOPAHXOGZREYAA-LJQANCHMSA-N 1 3 366.550 2.254 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371824441 557304422 /nfs/dbraw/zinc/30/44/22/557304422.db2.gz WJEDBGXNUOSYNY-IBGZPJMESA-N 1 3 364.578 2.149 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415601632 559254262 /nfs/dbraw/zinc/25/42/62/559254262.db2.gz PXJSYYAVUNUYPY-MCIONIFRSA-N 1 3 364.471 2.011 20 30 FEEDHO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCCN2C)n1 ZINC000420645072 559494968 /nfs/dbraw/zinc/49/49/68/559494968.db2.gz ZWQMRLBMNLEGMG-QZTJIDSGSA-N 1 3 356.518 2.014 20 30 FEEDHO CN(C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCCN2C)n1 ZINC000420645072 559494969 /nfs/dbraw/zinc/49/49/69/559494969.db2.gz ZWQMRLBMNLEGMG-QZTJIDSGSA-N 1 3 356.518 2.014 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732428 560055428 /nfs/dbraw/zinc/05/54/28/560055428.db2.gz YJPXKBIOQGALJG-ACBHZAAOSA-N 1 3 363.550 2.374 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732428 560055429 /nfs/dbraw/zinc/05/54/29/560055429.db2.gz YJPXKBIOQGALJG-ACBHZAAOSA-N 1 3 363.550 2.374 20 30 FEEDHO C=C[C@@H]1OCCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451673454 560321298 /nfs/dbraw/zinc/32/12/98/560321298.db2.gz KUARRKUEXSPFGH-RTWAWAEBSA-N 1 3 371.525 2.399 20 30 FEEDHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022812 560793218 /nfs/dbraw/zinc/79/32/18/560793218.db2.gz HIHNARIVGVJNDF-MRXNPFEDSA-N 1 3 354.498 2.337 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000104173916 670790573 /nfs/dbraw/zinc/79/05/73/670790573.db2.gz HAMRUMDETFXOQQ-SFHVURJKSA-N 1 3 361.559 2.128 20 30 FEEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000884178791 687809033 /nfs/dbraw/zinc/80/90/33/687809033.db2.gz UYBODCGZRCIXPI-YJTLQXIOSA-N 1 3 358.511 2.141 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000068312845 541575209 /nfs/dbraw/zinc/57/52/09/541575209.db2.gz OCVYNIDRXZJJCA-UHFFFAOYSA-N 1 3 363.452 2.200 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089595260 542765947 /nfs/dbraw/zinc/76/59/47/542765947.db2.gz FPTQRJIJZYGLKU-ZBFHGGJFSA-N 1 3 356.474 2.229 20 30 FEEDHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176702 543007160 /nfs/dbraw/zinc/00/71/60/543007160.db2.gz RQSKPXDTGSZHMG-HXUWFJFHSA-N 1 3 371.529 2.363 20 30 FEEDHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176702 543007161 /nfs/dbraw/zinc/00/71/61/543007161.db2.gz RQSKPXDTGSZHMG-HXUWFJFHSA-N 1 3 371.529 2.363 20 30 FEEDHO C=CCN1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000266444926 550020572 /nfs/dbraw/zinc/02/05/72/550020572.db2.gz AOSUIWBNWCOZOT-UHFFFAOYSA-N 1 3 356.514 2.035 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476677 550276147 /nfs/dbraw/zinc/27/61/47/550276147.db2.gz IRPAJQBVXZZFOL-LJQANCHMSA-N 1 3 372.513 2.006 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476677 550276149 /nfs/dbraw/zinc/27/61/49/550276149.db2.gz IRPAJQBVXZZFOL-LJQANCHMSA-N 1 3 372.513 2.006 20 30 FEEDHO COc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N ZINC000281617222 551120865 /nfs/dbraw/zinc/12/08/65/551120865.db2.gz HCQSNPIWCPNYRF-UHFFFAOYSA-N 1 3 366.465 2.148 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283890868 551444812 /nfs/dbraw/zinc/44/48/12/551444812.db2.gz HLBXYUSWFHGQGJ-GOSISDBHSA-N 1 3 373.545 2.048 20 30 FEEDHO CN1CCC(n2ccc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)CC1 ZINC000330206078 554084835 /nfs/dbraw/zinc/08/48/35/554084835.db2.gz DXCUVQJVFRYZPD-UHFFFAOYSA-N 1 3 362.522 2.598 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC#Cc3cccc(F)c3)CC2)CC1 ZINC000511479430 561870409 /nfs/dbraw/zinc/87/04/09/561870409.db2.gz UXHGIAAMNIUTSI-UHFFFAOYSA-N 1 3 372.488 2.035 20 30 FEEDHO C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370695705 556942718 /nfs/dbraw/zinc/94/27/18/556942718.db2.gz CKRJLLVLAFXEOZ-SIKLNZKXSA-N 1 3 369.557 2.494 20 30 FEEDHO C=CCOc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414988742 559199051 /nfs/dbraw/zinc/19/90/51/559199051.db2.gz PXWVQYYGBHMAOI-QGZVFWFLSA-N 1 3 373.419 2.186 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)C ZINC000423351373 559626341 /nfs/dbraw/zinc/62/63/41/559626341.db2.gz YZHZHVHKBNQOKK-OALUTQOASA-N 1 3 359.518 2.236 20 30 FEEDHO C=CCOc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469850055 560966728 /nfs/dbraw/zinc/96/67/28/560966728.db2.gz GMQNBVVQIODGPG-QUCCMNQESA-N 1 3 357.498 2.332 20 30 FEEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCS[C@H](CC)C1 ZINC000261762666 672902724 /nfs/dbraw/zinc/90/27/24/672902724.db2.gz DBUDWFBIQMNZGU-QGZVFWFLSA-N 1 3 368.591 2.424 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000876964901 686302002 /nfs/dbraw/zinc/30/20/02/686302002.db2.gz VBZSFZWWXSFKBO-ULQDDVLXSA-N 1 3 351.878 2.117 20 30 FEEDHO C=CCN1CCC(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000891520948 689072853 /nfs/dbraw/zinc/07/28/53/689072853.db2.gz CGPBSMDDUALRSA-UHFFFAOYSA-N 1 3 350.894 2.461 20 30 FEEDHO N#CCc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971942 540337392 /nfs/dbraw/zinc/33/73/92/540337392.db2.gz ILYXXFIUDOQDBA-FQEVSTJZSA-N 1 3 357.498 2.300 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000073436508 541954138 /nfs/dbraw/zinc/95/41/38/541954138.db2.gz MDBVCUZLHXERJA-UHFFFAOYSA-N 1 3 370.541 2.274 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074448028 542085473 /nfs/dbraw/zinc/08/54/73/542085473.db2.gz IHAPKZUWNCYXKC-NRFANRHFSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074448028 542085476 /nfs/dbraw/zinc/08/54/76/542085476.db2.gz IHAPKZUWNCYXKC-NRFANRHFSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074448024 542085717 /nfs/dbraw/zinc/08/57/17/542085717.db2.gz IHAPKZUWNCYXKC-OAQYLSRUSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074448024 542085720 /nfs/dbraw/zinc/08/57/20/542085720.db2.gz IHAPKZUWNCYXKC-OAQYLSRUSA-N 1 3 353.510 2.455 20 30 FEEDHO CN(CCNc1cc(NCC[N@H+](C)C2CC2)cc(C#N)c1[N+](=O)[O-])C1CC1 ZINC000091459845 542808554 /nfs/dbraw/zinc/80/85/54/542808554.db2.gz ZZTGVCONYZTGLM-UHFFFAOYSA-N 1 3 372.473 2.479 20 30 FEEDHO CN(CCNc1cc(NCC[N@@H+](C)C2CC2)cc(C#N)c1[N+](=O)[O-])C1CC1 ZINC000091459845 542808556 /nfs/dbraw/zinc/80/85/56/542808556.db2.gz ZZTGVCONYZTGLM-UHFFFAOYSA-N 1 3 372.473 2.479 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000154383139 544898641 /nfs/dbraw/zinc/89/86/41/544898641.db2.gz SLYJWRYWXMSDQL-UHFFFAOYSA-N 1 3 354.498 2.102 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000173510751 546282873 /nfs/dbraw/zinc/28/28/73/546282873.db2.gz QHVMFCVQGHWGGU-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000173510751 546282875 /nfs/dbraw/zinc/28/28/75/546282875.db2.gz QHVMFCVQGHWGGU-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C(C)C ZINC000262822344 549853467 /nfs/dbraw/zinc/85/34/67/549853467.db2.gz RIAHAAOKGLEPFI-MJGOQNOKSA-N 1 3 359.518 2.236 20 30 FEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262826283 549853511 /nfs/dbraw/zinc/85/35/11/549853511.db2.gz ZSOIDDIASRAIGZ-GOSISDBHSA-N 1 3 372.513 2.320 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000276242079 550577579 /nfs/dbraw/zinc/57/75/79/550577579.db2.gz OPYNXHFSKHAKFG-CEXWTWQISA-N 1 3 351.535 2.302 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000371455099 557190121 /nfs/dbraw/zinc/19/01/21/557190121.db2.gz BGZQCNYWKQBGGL-UHFFFAOYSA-N 1 3 353.510 2.375 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000371455099 557190122 /nfs/dbraw/zinc/19/01/22/557190122.db2.gz BGZQCNYWKQBGGL-UHFFFAOYSA-N 1 3 353.510 2.375 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000371455099 557190124 /nfs/dbraw/zinc/19/01/24/557190124.db2.gz BGZQCNYWKQBGGL-UHFFFAOYSA-N 1 3 353.510 2.375 20 30 FEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000518496329 562112850 /nfs/dbraw/zinc/11/28/50/562112850.db2.gz VGYMGUUADKXJSX-IBGZPJMESA-N 1 3 356.514 2.450 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418436141 559401560 /nfs/dbraw/zinc/40/15/60/559401560.db2.gz WTFZBQKYJDKNPU-RTBURBONSA-N 1 3 357.502 2.149 20 30 FEEDHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCC#N)CCOCC1)c1ccccc1 ZINC000424147215 559656055 /nfs/dbraw/zinc/65/60/55/559656055.db2.gz QVCQMLILRNMYHG-AEFFLSMTSA-N 1 3 358.486 2.024 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305502 /nfs/dbraw/zinc/30/55/02/560305502.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305503 /nfs/dbraw/zinc/30/55/03/560305503.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CC#CCN1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305504 /nfs/dbraw/zinc/30/55/04/560305504.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC#CCN1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305505 /nfs/dbraw/zinc/30/55/05/560305505.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 1 3 360.542 2.241 20 30 FEEDHO N#CCc1ccc(OC[C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847300 568000521 /nfs/dbraw/zinc/00/05/21/568000521.db2.gz VZOUHDNNHJHCDL-HXUWFJFHSA-N 1 3 366.465 2.100 20 30 FEEDHO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000838622638 680706519 /nfs/dbraw/zinc/70/65/19/680706519.db2.gz WWSMHRZLIWKDEU-QGZVFWFLSA-N 1 3 350.894 2.197 20 30 FEEDHO C#CC[N@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000838622638 680706520 /nfs/dbraw/zinc/70/65/20/680706520.db2.gz WWSMHRZLIWKDEU-QGZVFWFLSA-N 1 3 350.894 2.197 20 30 FEEDHO C[N@@H+]1C[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735044 681459495 /nfs/dbraw/zinc/45/94/95/681459495.db2.gz IWRCCCWPIVDPNJ-TYILLQQXSA-N 1 3 354.479 2.356 20 30 FEEDHO C[N@H+]1C[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735044 681459498 /nfs/dbraw/zinc/45/94/98/681459498.db2.gz IWRCCCWPIVDPNJ-TYILLQQXSA-N 1 3 354.479 2.356 20 30 FEEDHO C[N@@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576340 686861588 /nfs/dbraw/zinc/86/15/88/686861588.db2.gz BLYQCJFVIFVDDR-YCPHGPKFSA-N 1 3 354.479 2.499 20 30 FEEDHO C[N@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576340 686861600 /nfs/dbraw/zinc/86/16/00/686861600.db2.gz BLYQCJFVIFVDDR-YCPHGPKFSA-N 1 3 354.479 2.499 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076389802 542272174 /nfs/dbraw/zinc/27/21/74/542272174.db2.gz JEKFFQYYXLCNQA-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076389802 542272178 /nfs/dbraw/zinc/27/21/78/542272178.db2.gz JEKFFQYYXLCNQA-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO COc1ccccc1CNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000170911400 546181574 /nfs/dbraw/zinc/18/15/74/546181574.db2.gz CERLSCLTNIPPRJ-UHFFFAOYSA-N 1 3 356.470 2.240 20 30 FEEDHO CNC(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000264087964 549977952 /nfs/dbraw/zinc/97/79/52/549977952.db2.gz KBEGHGBSCNKXHF-UHFFFAOYSA-N 1 3 357.424 2.142 20 30 FEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278692904 550811800 /nfs/dbraw/zinc/81/18/00/550811800.db2.gz QEUCHZQQWCNYGM-IBGZPJMESA-N 1 3 370.501 2.305 20 30 FEEDHO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CCN(C)[C@@H](C)C3)n2)CC[N@@H+]1C ZINC000333047621 554564372 /nfs/dbraw/zinc/56/43/72/554564372.db2.gz KSALMUADTRWUDU-CYGHRXIMSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CCN(C)[C@@H](C)C3)n2)CC[N@H+]1C ZINC000333047621 554564373 /nfs/dbraw/zinc/56/43/73/554564373.db2.gz KSALMUADTRWUDU-CYGHRXIMSA-N 1 3 356.518 2.742 20 30 FEEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000369073318 556497683 /nfs/dbraw/zinc/49/76/83/556497683.db2.gz HPXAVTUVOKKOQO-UHFFFAOYSA-N 1 3 371.529 2.038 20 30 FEEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000433341541 559877375 /nfs/dbraw/zinc/87/73/75/559877375.db2.gz IHMLVTYCMJGWGC-MOPGFXCFSA-N 1 3 355.482 2.376 20 30 FEEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000433341543 559877382 /nfs/dbraw/zinc/87/73/82/559877382.db2.gz IHMLVTYCMJGWGC-RBUKOAKNSA-N 1 3 355.482 2.376 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br ZINC000262002066 672907533 /nfs/dbraw/zinc/90/75/33/672907533.db2.gz QAUZZRYTEPNASY-ZDUSSCGKSA-N 1 3 357.271 2.477 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C ZINC000303987296 673019841 /nfs/dbraw/zinc/01/98/41/673019841.db2.gz VHFSLPOJCZKBNM-CQSZACIVSA-N 1 3 365.909 2.366 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000263830771 549942769 /nfs/dbraw/zinc/94/27/69/549942769.db2.gz UHXFNSVZMDEHBQ-UHFFFAOYSA-N 1 3 367.537 2.499 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000263830771 549942771 /nfs/dbraw/zinc/94/27/71/549942771.db2.gz UHXFNSVZMDEHBQ-UHFFFAOYSA-N 1 3 367.537 2.499 20 30 FEEDHO N#Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312626591 553756537 /nfs/dbraw/zinc/75/65/37/553756537.db2.gz IDVSWESSAIDIGI-RTWAWAEBSA-N 1 3 365.477 2.410 20 30 FEEDHO N#Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626591 553756539 /nfs/dbraw/zinc/75/65/39/553756539.db2.gz IDVSWESSAIDIGI-RTWAWAEBSA-N 1 3 365.477 2.410 20 30 FEEDHO C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368050182 556204849 /nfs/dbraw/zinc/20/48/49/556204849.db2.gz DEHNLCVKKYLXGG-QUCCMNQESA-N 1 3 356.514 2.437 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000370197007 556808230 /nfs/dbraw/zinc/80/82/30/556808230.db2.gz HOMTUZOSTPOFSS-NRFANRHFSA-N 1 3 353.510 2.155 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370197007 556808233 /nfs/dbraw/zinc/80/82/33/556808233.db2.gz HOMTUZOSTPOFSS-NRFANRHFSA-N 1 3 353.510 2.155 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418608642 559407757 /nfs/dbraw/zinc/40/77/57/559407757.db2.gz BMYXOUYCUIXJEO-IBGZPJMESA-N 1 3 357.502 2.149 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418712644 559411998 /nfs/dbraw/zinc/41/19/98/559411998.db2.gz GQKAQESKETVGJW-OALUTQOASA-N 1 3 357.502 2.149 20 30 FEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000472267011 561022417 /nfs/dbraw/zinc/02/24/17/561022417.db2.gz AMPDTCHDNHIEQT-GOSISDBHSA-N 1 3 358.486 2.320 20 30 FEEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000591580699 672691865 /nfs/dbraw/zinc/69/18/65/672691865.db2.gz NKZADKGPCFCTNL-IAGOWNOFSA-N 1 3 352.404 2.361 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1 ZINC000303868049 673018024 /nfs/dbraw/zinc/01/80/24/673018024.db2.gz DHGSTHWTEMHAJX-CQSZACIVSA-N 1 3 358.408 2.473 20 30 FEEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000838621808 680706510 /nfs/dbraw/zinc/70/65/10/680706510.db2.gz DAPCCMQSGUQCAH-SFHVURJKSA-N 1 3 362.543 2.266 20 30 FEEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000838621808 680706511 /nfs/dbraw/zinc/70/65/11/680706511.db2.gz DAPCCMQSGUQCAH-SFHVURJKSA-N 1 3 362.543 2.266 20 30 FEEDHO C=C(Br)CNC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996602738 680336433 /nfs/dbraw/zinc/33/64/33/680336433.db2.gz GEXHPANIGXQLDX-LSDHHAIUSA-N 1 3 358.324 2.206 20 30 FEEDHO C=C(Br)CNC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000996602738 680336437 /nfs/dbraw/zinc/33/64/37/680336437.db2.gz GEXHPANIGXQLDX-LSDHHAIUSA-N 1 3 358.324 2.206 20 30 FEEDHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176704 543006856 /nfs/dbraw/zinc/00/68/56/543006856.db2.gz RQSKPXDTGSZHMG-FQEVSTJZSA-N 1 3 371.529 2.363 20 30 FEEDHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176704 543006860 /nfs/dbraw/zinc/00/68/60/543006860.db2.gz RQSKPXDTGSZHMG-FQEVSTJZSA-N 1 3 371.529 2.363 20 30 FEEDHO C[NH+]1CCC([C@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888446 550939731 /nfs/dbraw/zinc/93/97/31/550939731.db2.gz CURCGEKEQYDNQI-PMACEKPBSA-N 1 3 350.466 2.431 20 30 FEEDHO C[NH+](C)CCCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280389316 550988450 /nfs/dbraw/zinc/98/84/50/550988450.db2.gz NHIJZKAXEHAQAK-IBGZPJMESA-N 1 3 368.481 2.200 20 30 FEEDHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000282367890 551218447 /nfs/dbraw/zinc/21/84/47/551218447.db2.gz NTDQNXVVHMNMPV-UHFFFAOYSA-N 1 3 366.513 2.074 20 30 FEEDHO CN(C)CCN(C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000288727312 552201625 /nfs/dbraw/zinc/20/16/25/552201625.db2.gz MXOUWKMVJYJNOZ-UHFFFAOYSA-N 1 3 361.412 2.195 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294542446 552914309 /nfs/dbraw/zinc/91/43/09/552914309.db2.gz UCNOLOOACPWIRM-LJQANCHMSA-N 1 3 359.539 2.473 20 30 FEEDHO CCN(C[C@@H](C)C#N)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834608 557938227 /nfs/dbraw/zinc/93/82/27/557938227.db2.gz AYVXNIWKBZVQDD-KRWDZBQOSA-N 1 3 357.502 2.238 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412033450 559004460 /nfs/dbraw/zinc/00/44/60/559004460.db2.gz FDMPVFVLKBVNSW-SFHVURJKSA-N 1 3 351.560 2.361 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(C)C ZINC000423351375 559626319 /nfs/dbraw/zinc/62/63/19/559626319.db2.gz YZHZHVHKBNQOKK-RTBURBONSA-N 1 3 359.518 2.236 20 30 FEEDHO C=CCOc1ccccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469867384 560967349 /nfs/dbraw/zinc/96/73/49/560967349.db2.gz VQCYFDUDDPJNDL-HKUYNNGSSA-N 1 3 357.498 2.332 20 30 FEEDHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000817971650 675188437 /nfs/dbraw/zinc/18/84/37/675188437.db2.gz FZVJTLYLYLAIAR-CZUORRHYSA-N 1 3 356.392 2.076 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1 ZINC000303878063 673018151 /nfs/dbraw/zinc/01/81/51/673018151.db2.gz IYKNBJZJCTTZKH-AWEZNQCLSA-N 1 3 358.408 2.473 20 30 FEEDHO C[C@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)CN1CCN(C)CC1 ZINC000912506106 685388845 /nfs/dbraw/zinc/38/88/45/685388845.db2.gz JGVYWQYAANZWLW-MRXNPFEDSA-N 1 3 365.591 2.465 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1 ZINC000068312308 541575401 /nfs/dbraw/zinc/57/54/01/541575401.db2.gz OUGHPLMVWFRFIT-UHFFFAOYSA-N 1 3 363.452 2.200 20 30 FEEDHO COc1ccccc1CNC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000178585872 546815182 /nfs/dbraw/zinc/81/51/82/546815182.db2.gz RJSANKQZYLNBPH-UHFFFAOYSA-N 1 3 373.545 2.050 20 30 FEEDHO COc1ccccc1CNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738199 547006430 /nfs/dbraw/zinc/00/64/30/547006430.db2.gz RKKYWYXDBRESTC-UHFFFAOYSA-N 1 3 353.470 2.411 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1 ZINC000186237318 548104899 /nfs/dbraw/zinc/10/48/99/548104899.db2.gz CSUGRAYGWNYKAL-UHFFFAOYSA-N 1 3 370.497 2.169 20 30 FEEDHO CN1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693271 /nfs/dbraw/zinc/69/32/71/552693271.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 1 3 358.511 2.465 20 30 FEEDHO CN1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693272 /nfs/dbraw/zinc/69/32/72/552693272.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 1 3 358.511 2.465 20 30 FEEDHO COCCN(C)CCOc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000303398037 553745406 /nfs/dbraw/zinc/74/54/06/553745406.db2.gz JBRZFIQZEKGUGU-UHFFFAOYSA-N 1 3 362.518 2.190 20 30 FEEDHO N#Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312626589 553756681 /nfs/dbraw/zinc/75/66/81/553756681.db2.gz IDVSWESSAIDIGI-NHCUHLMSSA-N 1 3 365.477 2.410 20 30 FEEDHO N#Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626589 553756684 /nfs/dbraw/zinc/75/66/84/553756684.db2.gz IDVSWESSAIDIGI-NHCUHLMSSA-N 1 3 365.477 2.410 20 30 FEEDHO CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886884 556165569 /nfs/dbraw/zinc/16/55/69/556165569.db2.gz RIQUIVNFFRTFDU-HXUWFJFHSA-N 1 3 357.502 2.284 20 30 FEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000372567403 557506922 /nfs/dbraw/zinc/50/69/22/557506922.db2.gz FVMVVSQRDVJCAI-TWFHAPMSSA-N 1 3 363.546 2.334 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374280386 557857200 /nfs/dbraw/zinc/85/72/00/557857200.db2.gz OGCDMUQCCWVYKM-QFIPXVFZSA-N 1 3 353.510 2.360 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374280386 557857201 /nfs/dbraw/zinc/85/72/01/557857201.db2.gz OGCDMUQCCWVYKM-QFIPXVFZSA-N 1 3 353.510 2.360 20 30 FEEDHO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 ZINC000433335264 559877197 /nfs/dbraw/zinc/87/71/97/559877197.db2.gz KYUCSOVTQMUOBQ-INIZCTEOSA-N 1 3 350.470 2.433 20 30 FEEDHO C=CCOc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469866537 560967444 /nfs/dbraw/zinc/96/74/44/560967444.db2.gz ZDOSTCSPVXRLPU-UYAOXDASSA-N 1 3 357.498 2.332 20 30 FEEDHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583904 567994095 /nfs/dbraw/zinc/99/40/95/567994095.db2.gz VLVVMYMWWCAFAK-CABCVRRESA-N 1 3 356.392 2.445 20 30 FEEDHO CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000086741090 670684452 /nfs/dbraw/zinc/68/44/52/670684452.db2.gz ZGCIDZKKLWGJCJ-QGZVFWFLSA-N 1 3 368.591 2.424 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000303778315 673017668 /nfs/dbraw/zinc/01/76/68/673017668.db2.gz JLUXNUYKNLBFRA-AWEZNQCLSA-N 1 3 366.893 2.042 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1 ZINC000303898638 673018549 /nfs/dbraw/zinc/01/85/49/673018549.db2.gz VOBGCXWSAXPIJC-GFCCVEGCSA-N 1 3 357.271 2.477 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751726 673020232 /nfs/dbraw/zinc/02/02/32/673020232.db2.gz JQCLKBPWRXAXEG-CYBMUJFWSA-N 1 3 358.408 2.473 20 30 FEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801658 683505945 /nfs/dbraw/zinc/50/59/45/683505945.db2.gz BFLKWIOFOCOHOC-HNNXBMFYSA-N 1 3 360.424 2.143 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079458611 325091740 /nfs/dbraw/zinc/09/17/40/325091740.db2.gz JZUDJTIKGUQEOC-LJQANCHMSA-N 1 3 369.513 2.116 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079458611 325091742 /nfs/dbraw/zinc/09/17/42/325091742.db2.gz JZUDJTIKGUQEOC-LJQANCHMSA-N 1 3 369.513 2.116 20 30 FEEDHO COc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000275579169 330065822 /nfs/dbraw/zinc/06/58/22/330065822.db2.gz FKKDTGJZQWPKHN-UHFFFAOYSA-N 1 3 371.485 2.247 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)N(C)CCC#N ZINC000189948256 548314407 /nfs/dbraw/zinc/31/44/07/548314407.db2.gz NBRNFQIJMFRVKR-HTZLVSCSSA-N 1 3 356.514 2.495 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)N(C)CCC#N ZINC000189948256 548314410 /nfs/dbraw/zinc/31/44/10/548314410.db2.gz NBRNFQIJMFRVKR-HTZLVSCSSA-N 1 3 356.514 2.495 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287844859 552054028 /nfs/dbraw/zinc/05/40/28/552054028.db2.gz VKNFBJBIVRWOKW-LJQANCHMSA-N 1 3 360.502 2.248 20 30 FEEDHO [NH2+]=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666472 552194839 /nfs/dbraw/zinc/19/48/39/552194839.db2.gz HCPNVFPJFGYYCL-INIZCTEOSA-N 1 3 360.408 2.111 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000290009897 552413521 /nfs/dbraw/zinc/41/35/21/552413521.db2.gz ZTYRJLFWENAUFH-UHFFFAOYSA-N 1 3 359.449 2.377 20 30 FEEDHO CCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000329806500 554009299 /nfs/dbraw/zinc/00/92/99/554009299.db2.gz NYTXXZJGSZFHOO-UHFFFAOYSA-N 1 3 366.550 2.255 20 30 FEEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375459707 558030961 /nfs/dbraw/zinc/03/09/61/558030961.db2.gz LMLANGCEKKXEGM-CGTJXYLNSA-N 1 3 358.486 2.059 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415603735 559254439 /nfs/dbraw/zinc/25/44/39/559254439.db2.gz UNTAYSXOVVFHRW-DVOMOZLQSA-N 1 3 364.471 2.011 20 30 FEEDHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000466033203 560878644 /nfs/dbraw/zinc/87/86/44/560878644.db2.gz BKNWBBRXQYPNDZ-LPHOPBHVSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033203 560878645 /nfs/dbraw/zinc/87/86/45/560878645.db2.gz BKNWBBRXQYPNDZ-LPHOPBHVSA-N 1 3 357.502 2.114 20 30 FEEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769201 560963987 /nfs/dbraw/zinc/96/39/87/560963987.db2.gz NSPROWLZRREBCG-DMUMMCEESA-N 1 3 366.550 2.156 20 30 FEEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971640 560995562 /nfs/dbraw/zinc/99/55/62/560995562.db2.gz XVHMYLVVQCXGMW-PMACEKPBSA-N 1 3 368.481 2.200 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000808113983 674441762 /nfs/dbraw/zinc/44/17/62/674441762.db2.gz NJVZFFHBNBNOOV-GOSISDBHSA-N 1 3 361.917 2.447 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl ZINC000303872053 673017874 /nfs/dbraw/zinc/01/78/74/673017874.db2.gz BSRUGJCCBPYWDX-LBPRGKRZSA-N 1 3 359.305 2.189 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000303899141 673018637 /nfs/dbraw/zinc/01/86/37/673018637.db2.gz VZOKCUDALREWJH-MRXNPFEDSA-N 1 3 365.909 2.447 20 30 FEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596596071 673396536 /nfs/dbraw/zinc/39/65/36/673396536.db2.gz ZOBSIAWPBXFJDI-AWEZNQCLSA-N 1 3 365.909 2.283 20 30 FEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596596071 673396539 /nfs/dbraw/zinc/39/65/39/673396539.db2.gz ZOBSIAWPBXFJDI-AWEZNQCLSA-N 1 3 365.909 2.283 20 30 FEEDHO C=CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)COC ZINC000617582620 676293299 /nfs/dbraw/zinc/29/32/99/676293299.db2.gz QOFKLPBTYKKDDS-QGZVFWFLSA-N 1 3 351.535 2.232 20 30 FEEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000838621807 680706503 /nfs/dbraw/zinc/70/65/03/680706503.db2.gz DAPCCMQSGUQCAH-GOSISDBHSA-N 1 3 362.543 2.266 20 30 FEEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000838621807 680706504 /nfs/dbraw/zinc/70/65/04/680706504.db2.gz DAPCCMQSGUQCAH-GOSISDBHSA-N 1 3 362.543 2.266 20 30 FEEDHO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000771005788 681036344 /nfs/dbraw/zinc/03/63/44/681036344.db2.gz SFCVZLRDJNZIMF-OAHLLOKOSA-N 1 3 365.547 2.229 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521144 686214819 /nfs/dbraw/zinc/21/48/19/686214819.db2.gz IEYZDVHUCCQBFR-OCCSQVGLSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000876785243 686268453 /nfs/dbraw/zinc/26/84/53/686268453.db2.gz ROAMWZAYVZVLNP-SFHVURJKSA-N 1 3 370.969 2.111 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1 ZINC000153352399 544765383 /nfs/dbraw/zinc/76/53/83/544765383.db2.gz JDPWETHKLVPWLU-UHFFFAOYSA-N 1 3 352.482 2.487 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462430 544779122 /nfs/dbraw/zinc/77/91/22/544779122.db2.gz JNKFYSKLZVKCFW-GFCCVEGCSA-N 1 3 355.280 2.043 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462430 544779126 /nfs/dbraw/zinc/77/91/26/544779126.db2.gz JNKFYSKLZVKCFW-GFCCVEGCSA-N 1 3 355.280 2.043 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302786 549314594 /nfs/dbraw/zinc/31/45/94/549314594.db2.gz VCKNWDFDYSHDAV-PKOBYXMFSA-N 1 3 366.550 2.073 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302786 549314595 /nfs/dbraw/zinc/31/45/95/549314595.db2.gz VCKNWDFDYSHDAV-PKOBYXMFSA-N 1 3 366.550 2.073 20 30 FEEDHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1 ZINC000267467618 550032273 /nfs/dbraw/zinc/03/22/73/550032273.db2.gz WWOKGIGQPJULSC-SFHVURJKSA-N 1 3 365.481 2.311 20 30 FEEDHO CN1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1(C)C ZINC000281867064 551150558 /nfs/dbraw/zinc/15/05/58/551150558.db2.gz VZYBYMNDAAXWQV-UHFFFAOYSA-N 1 3 373.423 2.338 20 30 FEEDHO COC1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000330306023 554102540 /nfs/dbraw/zinc/10/25/40/554102540.db2.gz LDAAPKKQFURMET-UHFFFAOYSA-N 1 3 366.550 2.254 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000365650230 555632074 /nfs/dbraw/zinc/63/20/74/555632074.db2.gz YVKOTSHYUHCSEP-UHFFFAOYSA-N 1 3 359.518 2.139 20 30 FEEDHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000377559965 558364447 /nfs/dbraw/zinc/36/44/47/558364447.db2.gz FEYKHTZFKYVWHC-MKXGPGLRSA-N 1 3 358.486 2.351 20 30 FEEDHO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420645135 559494979 /nfs/dbraw/zinc/49/49/79/559494979.db2.gz ZWQMRLBMNLEGMG-ROUUACIJSA-N 1 3 356.518 2.014 20 30 FEEDHO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420645135 559494980 /nfs/dbraw/zinc/49/49/80/559494980.db2.gz ZWQMRLBMNLEGMG-ROUUACIJSA-N 1 3 356.518 2.014 20 30 FEEDHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)CCCC#N)CCOCC1)c1ccccc1 ZINC000424147217 559656151 /nfs/dbraw/zinc/65/61/51/559656151.db2.gz QVCQMLILRNMYHG-SJLPKXTDSA-N 1 3 358.486 2.024 20 30 FEEDHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N ZINC000443993418 560098747 /nfs/dbraw/zinc/09/87/47/560098747.db2.gz AWAZDIHRXOWYNV-UHFFFAOYSA-N 1 3 350.466 2.448 20 30 FEEDHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253312 561021911 /nfs/dbraw/zinc/02/19/11/561021911.db2.gz ATPBWARJPMOWHO-WOJBJXKFSA-N 1 3 350.466 2.431 20 30 FEEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253312 561021912 /nfs/dbraw/zinc/02/19/12/561021912.db2.gz ATPBWARJPMOWHO-WOJBJXKFSA-N 1 3 350.466 2.431 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000602534377 567992158 /nfs/dbraw/zinc/99/21/58/567992158.db2.gz RGPNYVGJZULCCT-LJQANCHMSA-N 1 3 371.529 2.282 20 30 FEEDHO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000852864160 682351112 /nfs/dbraw/zinc/35/11/12/682351112.db2.gz XPPMRWCNWFMCRA-UHFFFAOYSA-N 1 3 357.523 2.219 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089595257 542765362 /nfs/dbraw/zinc/76/53/62/542765362.db2.gz FPTQRJIJZYGLKU-GDBMZVCRSA-N 1 3 356.474 2.229 20 30 FEEDHO CCN1CCN(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180050563 327669186 /nfs/dbraw/zinc/66/91/86/327669186.db2.gz WJEUJYPYYRBQJH-UHFFFAOYSA-N 1 3 366.513 2.076 20 30 FEEDHO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385588 /nfs/dbraw/zinc/38/55/88/328385588.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 1 3 358.511 2.321 20 30 FEEDHO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385589 /nfs/dbraw/zinc/38/55/89/328385589.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 1 3 358.511 2.321 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275711522 330080348 /nfs/dbraw/zinc/08/03/48/330080348.db2.gz ZHYJLYJHJOUHNT-UHFFFAOYSA-N 1 3 357.502 2.116 20 30 FEEDHO [NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000170905875 546181784 /nfs/dbraw/zinc/18/17/84/546181784.db2.gz DDHRMQCFISESSY-UHFFFAOYSA-N 1 3 366.513 2.406 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000171485491 546211810 /nfs/dbraw/zinc/21/18/10/546211810.db2.gz JQCNSYCGJDMZET-UHFFFAOYSA-N 1 3 373.476 2.055 20 30 FEEDHO COc1ccc(NC(=[NH2+])NCC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000304783765 553747542 /nfs/dbraw/zinc/74/75/42/553747542.db2.gz HFJBWMABPMINIV-UHFFFAOYSA-N 1 3 359.518 2.372 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000330208976 554085845 /nfs/dbraw/zinc/08/58/45/554085845.db2.gz HDVXHFGCBFNZAL-QGZVFWFLSA-N 1 3 364.534 2.150 20 30 FEEDHO C(#CC[N@@H+]1CC[C@H](C2CCOCC2)C1)CN1CC[C@H](C2CCOCC2)C1 ZINC000367060607 556000698 /nfs/dbraw/zinc/00/06/98/556000698.db2.gz CSSRRAVWRWAWQS-VXKWHMMOSA-N 1 3 360.542 2.487 20 30 FEEDHO C(#CC[N@H+]1CC[C@H](C2CCOCC2)C1)CN1CC[C@H](C2CCOCC2)C1 ZINC000367060607 556000700 /nfs/dbraw/zinc/00/07/00/556000700.db2.gz CSSRRAVWRWAWQS-VXKWHMMOSA-N 1 3 360.542 2.487 20 30 FEEDHO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000369278149 556561522 /nfs/dbraw/zinc/56/15/22/556561522.db2.gz PSUGFZIUOPOWHP-LJQANCHMSA-N 1 3 355.530 2.295 20 30 FEEDHO CN1CCN(CC2(C)CC[NH+](CCCC3(C#N)CCOCC3)CC2)CC1 ZINC000375614175 558057379 /nfs/dbraw/zinc/05/73/79/558057379.db2.gz QIBVWSDYXDOYGQ-UHFFFAOYSA-N 1 3 362.562 2.436 20 30 FEEDHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000377559962 558364307 /nfs/dbraw/zinc/36/43/07/558364307.db2.gz FEYKHTZFKYVWHC-HCXYKTFWSA-N 1 3 358.486 2.351 20 30 FEEDHO CN(CCCOc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378296481 558523075 /nfs/dbraw/zinc/52/30/75/558523075.db2.gz RVUQPXPBKJDTMA-FQEVSTJZSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(CCCOc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378296481 558523077 /nfs/dbraw/zinc/52/30/77/558523077.db2.gz RVUQPXPBKJDTMA-FQEVSTJZSA-N 1 3 356.514 2.427 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000411230711 558857111 /nfs/dbraw/zinc/85/71/11/558857111.db2.gz RQVXWMVISPYSPS-UHFFFAOYSA-N 1 3 372.513 2.152 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602557804 567991410 /nfs/dbraw/zinc/99/14/10/567991410.db2.gz JGANRLKZLFIOJJ-NQIIRXRSSA-N 1 3 357.498 2.312 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557804 567991411 /nfs/dbraw/zinc/99/14/11/567991411.db2.gz JGANRLKZLFIOJJ-NQIIRXRSSA-N 1 3 357.498 2.312 20 30 FEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCS[C@H](C(C)C)C1 ZINC000261853703 672904338 /nfs/dbraw/zinc/90/43/38/672904338.db2.gz YJACMSAKLYXNRG-KRWDZBQOSA-N 1 3 368.591 2.280 20 30 FEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N1CCC(C(=O)OC)CC1 ZINC000262579472 672918058 /nfs/dbraw/zinc/91/80/58/672918058.db2.gz PYTYHFBQDIQDKQ-UHFFFAOYSA-N 1 3 352.523 2.101 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000876766465 686264196 /nfs/dbraw/zinc/26/41/96/686264196.db2.gz KSMUZCMMFSLQTH-RDJZCZTQSA-N 1 3 365.905 2.473 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926211 686295914 /nfs/dbraw/zinc/29/59/14/686295914.db2.gz MHBLRDOZHRAYFJ-HNNXBMFYSA-N 1 3 365.909 2.053 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080572486 542595345 /nfs/dbraw/zinc/59/53/45/542595345.db2.gz YRNKDDGTBAJJJL-WOJBJXKFSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080572486 542595349 /nfs/dbraw/zinc/59/53/49/542595349.db2.gz YRNKDDGTBAJJJL-WOJBJXKFSA-N 1 3 354.498 2.323 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113095442 543474229 /nfs/dbraw/zinc/47/42/29/543474229.db2.gz SBQMUVBSFZDNEC-UHFFFAOYSA-N 1 3 353.510 2.455 20 30 FEEDHO CNC(NCc1ccccc1CN1CCN(c2ccccc2)CC1)=[NH+]C ZINC000122475190 543706786 /nfs/dbraw/zinc/70/67/86/543706786.db2.gz XGENAPUYNRYOQR-UHFFFAOYSA-N 1 3 351.498 2.304 20 30 FEEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000176500224 546454645 /nfs/dbraw/zinc/45/46/45/546454645.db2.gz OAEAPTAFKCGQBQ-UHFFFAOYSA-N 1 3 350.532 2.472 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000186339741 548121791 /nfs/dbraw/zinc/12/17/91/548121791.db2.gz VHEXHODZQATVDC-OAQYLSRUSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186339741 548121796 /nfs/dbraw/zinc/12/17/96/548121796.db2.gz VHEXHODZQATVDC-OAQYLSRUSA-N 1 3 353.510 2.455 20 30 FEEDHO CCN(CCC#N)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189955527 548315624 /nfs/dbraw/zinc/31/56/24/548315624.db2.gz AWMMNZZDUBSOII-QZTJIDSGSA-N 1 3 356.514 2.495 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000264089067 549978122 /nfs/dbraw/zinc/97/81/22/549978122.db2.gz KLUYHMIFHQSWIZ-QGZVFWFLSA-N 1 3 360.506 2.105 20 30 FEEDHO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264121774 549981422 /nfs/dbraw/zinc/98/14/22/549981422.db2.gz VGUBMXZQEPVJDZ-YJBOKZPZSA-N 1 3 359.518 2.104 20 30 FEEDHO NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1 ZINC000267393861 550030481 /nfs/dbraw/zinc/03/04/81/550030481.db2.gz DNNHIMCCWPWMTM-GOSISDBHSA-N 1 3 371.529 2.121 20 30 FEEDHO C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147557 556793399 /nfs/dbraw/zinc/79/33/99/556793399.db2.gz DNTHEZAFAVRWQC-WIYYLYMNSA-N 1 3 356.514 2.285 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711137 556946707 /nfs/dbraw/zinc/94/67/07/556946707.db2.gz WBNLIHNDGOMMPY-DBXWQHBBSA-N 1 3 356.514 2.435 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711137 556946708 /nfs/dbraw/zinc/94/67/08/556946708.db2.gz WBNLIHNDGOMMPY-DBXWQHBBSA-N 1 3 356.514 2.435 20 30 FEEDHO C=CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414486386 559168024 /nfs/dbraw/zinc/16/80/24/559168024.db2.gz QPRHAQRYKGWYLS-UHFFFAOYSA-N 1 3 359.514 2.138 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000415597665 559254111 /nfs/dbraw/zinc/25/41/11/559254111.db2.gz JNJPEVFIGUFWDN-KBPBESRZSA-N 1 3 364.471 2.026 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415603738 559254368 /nfs/dbraw/zinc/25/43/68/559254368.db2.gz UNTAYSXOVVFHRW-XJKCOSOUSA-N 1 3 364.471 2.011 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418352582 559398677 /nfs/dbraw/zinc/39/86/77/559398677.db2.gz TYYVRUHQBMPWDN-GOSISDBHSA-N 1 3 357.502 2.021 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C(C)C ZINC000423323682 559625462 /nfs/dbraw/zinc/62/54/62/559625462.db2.gz AKVOYMCIRMLFLZ-WMZOPIPTSA-N 1 3 359.518 2.305 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br ZINC000262002065 672907547 /nfs/dbraw/zinc/90/75/47/672907547.db2.gz QAUZZRYTEPNASY-CYBMUJFWSA-N 1 3 357.271 2.477 20 30 FEEDHO COC[C@@H](C)NC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304743101 673020167 /nfs/dbraw/zinc/02/01/67/673020167.db2.gz CXCHGJVOXMWYGT-CQSZACIVSA-N 1 3 352.910 2.491 20 30 FEEDHO C=CCCSCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000595487014 673257234 /nfs/dbraw/zinc/25/72/34/673257234.db2.gz BULPEOJQQQWTEY-UHFFFAOYSA-N 1 3 354.564 2.154 20 30 FEEDHO C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC000963829743 682148092 /nfs/dbraw/zinc/14/80/92/682148092.db2.gz DSHPTAFWHQKZJJ-KBMGIXFMSA-N 1 3 370.335 2.252 20 30 FEEDHO C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC000963829743 682148095 /nfs/dbraw/zinc/14/80/95/682148095.db2.gz DSHPTAFWHQKZJJ-KBMGIXFMSA-N 1 3 370.335 2.252 20 30 FEEDHO CN(CC1CC[NH+](C)CC1)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001165045242 721938497 /nfs/dbraw/zinc/93/84/97/721938497.db2.gz WSTNOGAPHWUTDL-OAHLLOKOSA-N 1 3 359.474 2.203 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571514 541968428 /nfs/dbraw/zinc/96/84/28/541968428.db2.gz ZJKUIFCEDZZZEL-FQEVSTJZSA-N 1 3 356.514 2.096 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571514 541968433 /nfs/dbraw/zinc/96/84/33/541968433.db2.gz ZJKUIFCEDZZZEL-FQEVSTJZSA-N 1 3 356.514 2.096 20 30 FEEDHO CN(C)CCN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180048204 547043137 /nfs/dbraw/zinc/04/31/37/547043137.db2.gz KBEKKJUQKMTCMH-UHFFFAOYSA-N 1 3 366.513 2.074 20 30 FEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262826284 549853444 /nfs/dbraw/zinc/85/34/44/549853444.db2.gz ZSOIDDIASRAIGZ-SFHVURJKSA-N 1 3 372.513 2.320 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000264113970 549980490 /nfs/dbraw/zinc/98/04/90/549980490.db2.gz PMEOVPVWKZAMIH-KRWDZBQOSA-N 1 3 369.469 2.421 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713201 550000383 /nfs/dbraw/zinc/00/03/83/550000383.db2.gz WHNSZSBEYMCCMY-LJQANCHMSA-N 1 3 372.513 2.006 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713201 550000386 /nfs/dbraw/zinc/00/03/86/550000386.db2.gz WHNSZSBEYMCCMY-LJQANCHMSA-N 1 3 372.513 2.006 20 30 FEEDHO C#CCCOc1ccc(C[NH2+]C2CC3CCC(C2)N3CC(=O)N(C)C)cc1 ZINC000285653418 551790074 /nfs/dbraw/zinc/79/00/74/551790074.db2.gz YMSSNNDBVUBCEA-IHWFROFDSA-N 1 3 369.509 2.262 20 30 FEEDHO CN1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC000287575487 552021002 /nfs/dbraw/zinc/02/10/02/552021002.db2.gz QSROGDSZDQBKTP-UHFFFAOYSA-N 1 3 355.530 2.143 20 30 FEEDHO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289369044 552308928 /nfs/dbraw/zinc/30/89/28/552308928.db2.gz IDSFLMCLWVMYCI-IBGZPJMESA-N 1 3 373.545 2.137 20 30 FEEDHO N#Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312626595 553756456 /nfs/dbraw/zinc/75/64/56/553756456.db2.gz IDVSWESSAIDIGI-SFTDATJTSA-N 1 3 365.477 2.410 20 30 FEEDHO N#Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626595 553756457 /nfs/dbraw/zinc/75/64/57/553756457.db2.gz IDVSWESSAIDIGI-SFTDATJTSA-N 1 3 365.477 2.410 20 30 FEEDHO C(#CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)CN1CC[C@@H](C2CCOCC2)C1 ZINC000367060605 556000918 /nfs/dbraw/zinc/00/09/18/556000918.db2.gz CSSRRAVWRWAWQS-FGZHOGPDSA-N 1 3 360.542 2.487 20 30 FEEDHO C(#CC[N@H+]1CC[C@@H](C2CCOCC2)C1)CN1CC[C@@H](C2CCOCC2)C1 ZINC000367060605 556000919 /nfs/dbraw/zinc/00/09/19/556000919.db2.gz CSSRRAVWRWAWQS-FGZHOGPDSA-N 1 3 360.542 2.487 20 30 FEEDHO CN(CCCOc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373219731 557652353 /nfs/dbraw/zinc/65/23/53/557652353.db2.gz VOTRJQCQUXSZEG-FQEVSTJZSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(CCCOc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373219731 557652356 /nfs/dbraw/zinc/65/23/56/557652356.db2.gz VOTRJQCQUXSZEG-FQEVSTJZSA-N 1 3 356.514 2.427 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000376223999 558144072 /nfs/dbraw/zinc/14/40/72/558144072.db2.gz DKMHCZSEIRRKJD-LJQANCHMSA-N 1 3 371.529 2.243 20 30 FEEDHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000377559967 558364465 /nfs/dbraw/zinc/36/44/65/558364465.db2.gz FEYKHTZFKYVWHC-OKYOBFRVSA-N 1 3 358.486 2.351 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418663350 559410361 /nfs/dbraw/zinc/41/03/61/559410361.db2.gz GJHMKQYEGHKIAY-UAPYVXQJSA-N 1 3 371.529 2.397 20 30 FEEDHO C=CCOc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469866535 560967427 /nfs/dbraw/zinc/96/74/27/560967427.db2.gz ZDOSTCSPVXRLPU-QUCCMNQESA-N 1 3 357.498 2.332 20 30 FEEDHO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2CCN(CC3CC3)CC2)c1 ZINC000596067637 673355465 /nfs/dbraw/zinc/35/54/65/673355465.db2.gz OYXPNEQFERFSCU-UHFFFAOYSA-N 1 3 361.511 2.044 20 30 FEEDHO N#Cc1cccc(S(=O)(=O)CCNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000596067637 673355467 /nfs/dbraw/zinc/35/54/67/673355467.db2.gz OYXPNEQFERFSCU-UHFFFAOYSA-N 1 3 361.511 2.044 20 30 FEEDHO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CCN(CC3CC3)CC2)cc1 ZINC000596067656 673355603 /nfs/dbraw/zinc/35/56/03/673355603.db2.gz PNAAEQAQHTYBOE-UHFFFAOYSA-N 1 3 361.511 2.044 20 30 FEEDHO N#Cc1ccc(S(=O)(=O)CCNCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000596067656 673355608 /nfs/dbraw/zinc/35/56/08/673355608.db2.gz PNAAEQAQHTYBOE-UHFFFAOYSA-N 1 3 361.511 2.044 20 30 FEEDHO CN(C)CCOc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)ccn1 ZINC000134551352 544312699 /nfs/dbraw/zinc/31/26/99/544312699.db2.gz AWZDDZXIAUXVCO-UHFFFAOYSA-N 1 3 353.470 2.438 20 30 FEEDHO C#CCN1CCC(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000175027884 546305698 /nfs/dbraw/zinc/30/56/98/546305698.db2.gz UBBWGZXWTZAORT-UHFFFAOYSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000184286120 547800276 /nfs/dbraw/zinc/80/02/76/547800276.db2.gz HLXJHSBTYIWJNI-UHFFFAOYSA-N 1 3 354.498 2.112 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302774 549314492 /nfs/dbraw/zinc/31/44/92/549314492.db2.gz VCKNWDFDYSHDAV-HKUYNNGSSA-N 1 3 366.550 2.073 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302774 549314495 /nfs/dbraw/zinc/31/44/95/549314495.db2.gz VCKNWDFDYSHDAV-HKUYNNGSSA-N 1 3 366.550 2.073 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1 ZINC000264330161 549994499 /nfs/dbraw/zinc/99/44/99/549994499.db2.gz ZYORGYQSHUEVPF-KRWDZBQOSA-N 1 3 359.449 2.412 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)CC1 ZINC000272693632 550465457 /nfs/dbraw/zinc/46/54/57/550465457.db2.gz UVQVEGFVQQSLPW-NRFANRHFSA-N 1 3 369.509 2.294 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000276243928 550577628 /nfs/dbraw/zinc/57/76/28/550577628.db2.gz OPYNXHFSKHAKFG-QYZOEREBSA-N 1 3 351.535 2.302 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000370197008 556808271 /nfs/dbraw/zinc/80/82/71/556808271.db2.gz HOMTUZOSTPOFSS-OAQYLSRUSA-N 1 3 353.510 2.155 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370197008 556808274 /nfs/dbraw/zinc/80/82/74/556808274.db2.gz HOMTUZOSTPOFSS-OAQYLSRUSA-N 1 3 353.510 2.155 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418656353 559410007 /nfs/dbraw/zinc/41/00/07/559410007.db2.gz FQROJVIEHIXSHZ-VQTJNVASSA-N 1 3 369.513 2.020 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)C ZINC000423351374 559626350 /nfs/dbraw/zinc/62/63/50/559626350.db2.gz YZHZHVHKBNQOKK-RBUKOAKNSA-N 1 3 359.518 2.236 20 30 FEEDHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000424132691 559655739 /nfs/dbraw/zinc/65/57/39/559655739.db2.gz IIQIVZURFQARPU-HNNXBMFYSA-N 1 3 356.474 2.338 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C ZINC000303987294 673019640 /nfs/dbraw/zinc/01/96/40/673019640.db2.gz VHFSLPOJCZKBNM-AWEZNQCLSA-N 1 3 365.909 2.366 20 30 FEEDHO N#CCCCC[C@@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000594435890 673071999 /nfs/dbraw/zinc/07/19/99/673071999.db2.gz AQLSMFQCYFJJBU-MRXNPFEDSA-N 1 3 352.548 2.266 20 30 FEEDHO N#CCCCC[C@@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000594435890 673072006 /nfs/dbraw/zinc/07/20/06/673072006.db2.gz AQLSMFQCYFJJBU-MRXNPFEDSA-N 1 3 352.548 2.266 20 30 FEEDHO CC(C)N1CCC(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000872223430 684928938 /nfs/dbraw/zinc/92/89/38/684928938.db2.gz RQXRALUHAYLWJC-UHFFFAOYSA-N 1 3 363.527 2.432 20 30 FEEDHO CC(C)[NH+]1CCC(CCNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000872223430 684928940 /nfs/dbraw/zinc/92/89/40/684928940.db2.gz RQXRALUHAYLWJC-UHFFFAOYSA-N 1 3 363.527 2.432 20 30 FEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000876768453 686264488 /nfs/dbraw/zinc/26/44/88/686264488.db2.gz ITTFPTMPONSYAO-KRWDZBQOSA-N 1 3 369.868 2.255 20 30 FEEDHO CN(C)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1 ZINC000884312766 687844552 /nfs/dbraw/zinc/84/45/52/687844552.db2.gz NJAVZDFTDVPELF-QZDWLRDRSA-N 1 3 360.889 2.198 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080572482 542595247 /nfs/dbraw/zinc/59/52/47/542595247.db2.gz YRNKDDGTBAJJJL-PMACEKPBSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080572482 542595250 /nfs/dbraw/zinc/59/52/50/542595250.db2.gz YRNKDDGTBAJJJL-PMACEKPBSA-N 1 3 354.498 2.323 20 30 FEEDHO C=CCN1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000171709587 546219927 /nfs/dbraw/zinc/21/99/27/546219927.db2.gz CSHJFBGNVGNGCU-UHFFFAOYSA-N 1 3 360.502 2.077 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246814262 549219975 /nfs/dbraw/zinc/21/99/75/549219975.db2.gz BQHRZZPTDXAIGO-YLJYHZDGSA-N 1 3 371.529 2.242 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246814262 549219979 /nfs/dbraw/zinc/21/99/79/549219979.db2.gz BQHRZZPTDXAIGO-YLJYHZDGSA-N 1 3 371.529 2.242 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1 ZINC000264112133 549980544 /nfs/dbraw/zinc/98/05/44/549980544.db2.gz PEBGBXNVOGOGIK-SFHVURJKSA-N 1 3 357.502 2.314 20 30 FEEDHO CN(CCC#N)c1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000289408176 552316230 /nfs/dbraw/zinc/31/62/30/552316230.db2.gz HMVYXDWUEXJEDK-UHFFFAOYSA-N 1 3 369.557 2.496 20 30 FEEDHO Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000329594572 553973547 /nfs/dbraw/zinc/97/35/47/553973547.db2.gz BNDVALODBIEBRG-UHFFFAOYSA-N 1 3 360.506 2.182 20 30 FEEDHO C[C@@H]1C[C@@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2C#N)CCN1C ZINC000333047618 554564012 /nfs/dbraw/zinc/56/40/12/554564012.db2.gz KSALMUADTRWUDU-AHCXZYCDSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1C[C@@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2C#N)CCN1C ZINC000333047618 554564014 /nfs/dbraw/zinc/56/40/14/554564014.db2.gz KSALMUADTRWUDU-AHCXZYCDSA-N 1 3 356.518 2.742 20 30 FEEDHO C=CCc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1O ZINC000414973589 559198091 /nfs/dbraw/zinc/19/80/91/559198091.db2.gz KOMKGBSEBARVHR-MRXNPFEDSA-N 1 3 373.419 2.055 20 30 FEEDHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C#N)CCSCC3)CC2)CC1 ZINC000574461820 671243385 /nfs/dbraw/zinc/24/33/85/671243385.db2.gz AWJKDOAXEBPISU-UHFFFAOYSA-N 1 3 364.559 2.088 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876520453 686214186 /nfs/dbraw/zinc/21/41/86/686214186.db2.gz LQCIUVXZJRWCQR-HUUCEWRRSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000876765842 686263750 /nfs/dbraw/zinc/26/37/50/686263750.db2.gz YZBNMHWSRXNYKT-KRWDZBQOSA-N 1 3 351.878 2.247 20 30 FEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000895666969 689751708 /nfs/dbraw/zinc/75/17/08/689751708.db2.gz USQQFYZIFSVIRB-AWEZNQCLSA-N 1 3 351.520 2.033 20 30 FEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000895666969 689751713 /nfs/dbraw/zinc/75/17/13/689751713.db2.gz USQQFYZIFSVIRB-AWEZNQCLSA-N 1 3 351.520 2.033 20 30 FEEDHO CCN1CCN(c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)CC1 ZINC000073079035 541916299 /nfs/dbraw/zinc/91/62/99/541916299.db2.gz XHMBSUCIEFCWCQ-UHFFFAOYSA-N 1 3 371.529 2.136 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081613817 542668460 /nfs/dbraw/zinc/66/84/60/542668460.db2.gz QURVZBMYMAIAER-WOJBJXKFSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081613817 542668465 /nfs/dbraw/zinc/66/84/65/542668465.db2.gz QURVZBMYMAIAER-WOJBJXKFSA-N 1 3 354.498 2.323 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000264104408 549979605 /nfs/dbraw/zinc/97/96/05/549979605.db2.gz PBZZJZVZPBXMOZ-SFHVURJKSA-N 1 3 374.529 2.132 20 30 FEEDHO C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368050183 556204707 /nfs/dbraw/zinc/20/47/07/556204707.db2.gz DEHNLCVKKYLXGG-UYAOXDASSA-N 1 3 356.514 2.437 20 30 FEEDHO CN(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778987 557930060 /nfs/dbraw/zinc/93/00/60/557930060.db2.gz KBPOVMDUFNXWCE-HXUWFJFHSA-N 1 3 355.486 2.038 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCCN(C)[C@@H]3C)n2)CCC[N@@H+]1C ZINC000436354609 559940498 /nfs/dbraw/zinc/94/04/98/559940498.db2.gz CBPGUBDJAMBLQO-AHCXZYCDSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCCN(C)[C@@H]3C)n2)CCC[N@H+]1C ZINC000436354609 559940499 /nfs/dbraw/zinc/94/04/99/559940499.db2.gz CBPGUBDJAMBLQO-AHCXZYCDSA-N 1 3 356.518 2.742 20 30 FEEDHO Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1C#N ZINC000443984072 560098405 /nfs/dbraw/zinc/09/84/05/560098405.db2.gz SKOKBYHYOBGCFP-NRFANRHFSA-N 1 3 364.493 2.245 20 30 FEEDHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000540788204 562593116 /nfs/dbraw/zinc/59/31/16/562593116.db2.gz ASOBKJTXIVINDO-UWJYYQICSA-N 1 3 364.493 2.498 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595820 567999518 /nfs/dbraw/zinc/99/95/18/567999518.db2.gz DDBRPCXCKLXLEI-FXAWDEMLSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000602595820 567999520 /nfs/dbraw/zinc/99/95/20/567999520.db2.gz DDBRPCXCKLXLEI-FXAWDEMLSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000602595820 567999522 /nfs/dbraw/zinc/99/95/22/567999522.db2.gz DDBRPCXCKLXLEI-FXAWDEMLSA-N 1 3 357.498 2.442 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC ZINC000303989629 673019500 /nfs/dbraw/zinc/01/95/00/673019500.db2.gz XSMLCKGLAHPNOU-CQSZACIVSA-N 1 3 369.307 2.346 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001029742523 680390875 /nfs/dbraw/zinc/39/08/75/680390875.db2.gz VTTDGKAAFWDYOR-IIDMSEBBSA-N 1 3 360.527 2.240 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001029742523 680390881 /nfs/dbraw/zinc/39/08/81/680390881.db2.gz VTTDGKAAFWDYOR-IIDMSEBBSA-N 1 3 360.527 2.240 20 30 FEEDHO CN(CC1CC[NH+](C)CC1)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001165045240 721938331 /nfs/dbraw/zinc/93/83/31/721938331.db2.gz WSTNOGAPHWUTDL-HNNXBMFYSA-N 1 3 359.474 2.203 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000057126727 540770877 /nfs/dbraw/zinc/77/08/77/540770877.db2.gz NNPFOLANTRASNN-OAQYLSRUSA-N 1 3 369.509 2.294 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273323175 550494428 /nfs/dbraw/zinc/49/44/28/550494428.db2.gz GTTBKPXBYFIJQO-MRXNPFEDSA-N 1 3 374.464 2.197 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283890873 551445033 /nfs/dbraw/zinc/44/50/33/551445033.db2.gz HLBXYUSWFHGQGJ-SFHVURJKSA-N 1 3 373.545 2.048 20 30 FEEDHO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289369048 552308738 /nfs/dbraw/zinc/30/87/38/552308738.db2.gz IDSFLMCLWVMYCI-LJQANCHMSA-N 1 3 373.545 2.137 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3OCO4)CC2)CC1 ZINC000328603014 553795459 /nfs/dbraw/zinc/79/54/59/553795459.db2.gz HKJGCPXHCQQCKI-UHFFFAOYSA-N 1 3 360.458 2.300 20 30 FEEDHO C[N@H+](C[C@H]1CC12CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618208 554975957 /nfs/dbraw/zinc/97/59/57/554975957.db2.gz WYQOMWDITWQBCJ-UYAOXDASSA-N 1 3 369.509 2.494 20 30 FEEDHO C[N@@H+](C[C@H]1CC12CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618208 554975958 /nfs/dbraw/zinc/97/59/58/554975958.db2.gz WYQOMWDITWQBCJ-UYAOXDASSA-N 1 3 369.509 2.494 20 30 FEEDHO C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703290 554981817 /nfs/dbraw/zinc/98/18/17/554981817.db2.gz PYRIJDXNMAHCTJ-NQIIRXRSSA-N 1 3 356.514 2.285 20 30 FEEDHO C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703288 554981962 /nfs/dbraw/zinc/98/19/62/554981962.db2.gz PYRIJDXNMAHCTJ-GHTZIAJQSA-N 1 3 356.514 2.285 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368417937 556303221 /nfs/dbraw/zinc/30/32/21/556303221.db2.gz VFYAHFORLTUCHT-YTQUADARSA-N 1 3 373.497 2.425 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368417937 556303222 /nfs/dbraw/zinc/30/32/22/556303222.db2.gz VFYAHFORLTUCHT-YTQUADARSA-N 1 3 373.497 2.425 20 30 FEEDHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519975005 562148300 /nfs/dbraw/zinc/14/83/00/562148300.db2.gz QLEZJODYFWHOQN-QGZVFWFLSA-N 1 3 359.518 2.362 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374280385 557857168 /nfs/dbraw/zinc/85/71/68/557857168.db2.gz OGCDMUQCCWVYKM-JOCHJYFZSA-N 1 3 353.510 2.360 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374280385 557857169 /nfs/dbraw/zinc/85/71/69/557857169.db2.gz OGCDMUQCCWVYKM-JOCHJYFZSA-N 1 3 353.510 2.360 20 30 FEEDHO N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000376122234 558129780 /nfs/dbraw/zinc/12/97/80/558129780.db2.gz GHWOMCYEVHSMCF-HSALFYBXSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000376122234 558129782 /nfs/dbraw/zinc/12/97/82/558129782.db2.gz GHWOMCYEVHSMCF-HSALFYBXSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000376122234 558129784 /nfs/dbraw/zinc/12/97/84/558129784.db2.gz GHWOMCYEVHSMCF-HSALFYBXSA-N 1 3 364.497 2.430 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000415604257 559254522 /nfs/dbraw/zinc/25/45/22/559254522.db2.gz VKYUVRLQYZUVOP-OLZOCXBDSA-N 1 3 352.460 2.011 20 30 FEEDHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418331939 559397961 /nfs/dbraw/zinc/39/79/61/559397961.db2.gz CWUPZHAAGKTXLP-VQIMIIECSA-N 1 3 357.502 2.020 20 30 FEEDHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449216189 560220613 /nfs/dbraw/zinc/22/06/13/560220613.db2.gz QIDREHMPXDNHHU-SCCNAQOGSA-N 1 3 356.514 2.338 20 30 FEEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCS[C@@H](CC)C1 ZINC000261762664 672902776 /nfs/dbraw/zinc/90/27/76/672902776.db2.gz DBUDWFBIQMNZGU-KRWDZBQOSA-N 1 3 368.591 2.424 20 30 FEEDHO Cn1cc(Cl)c(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000263128536 672928150 /nfs/dbraw/zinc/92/81/50/672928150.db2.gz MSLLBUMXRFDSAI-UHFFFAOYSA-N 1 3 360.893 2.142 20 30 FEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000876904440 686291827 /nfs/dbraw/zinc/29/18/27/686291827.db2.gz YZVVDZAOAHKANK-IAGOWNOFSA-N 1 3 351.878 2.418 20 30 FEEDHO CN1CCC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000077450605 542383131 /nfs/dbraw/zinc/38/31/31/542383131.db2.gz PCKCMFOOSDISRD-UHFFFAOYSA-N 1 3 353.470 2.010 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000106262916 543221731 /nfs/dbraw/zinc/22/17/31/543221731.db2.gz RBPMDEPVRVQXEM-UHFFFAOYSA-N 1 3 374.529 2.467 20 30 FEEDHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181500185 547324542 /nfs/dbraw/zinc/32/45/42/547324542.db2.gz VDWKESQUMRALEI-IBGZPJMESA-N 1 3 369.557 2.138 20 30 FEEDHO CN1CCCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286277406 551868838 /nfs/dbraw/zinc/86/88/38/551868838.db2.gz VOTPSVQRRMGJSS-UHFFFAOYSA-N 1 3 355.530 2.144 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000330208975 554085646 /nfs/dbraw/zinc/08/56/46/554085646.db2.gz HDVXHFGCBFNZAL-KRWDZBQOSA-N 1 3 364.534 2.150 20 30 FEEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000364711912 555382454 /nfs/dbraw/zinc/38/24/54/555382454.db2.gz CPUNHXJFXWCHGC-ICSRJNTNSA-N 1 3 371.529 2.414 20 30 FEEDHO C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370695703 556942554 /nfs/dbraw/zinc/94/25/54/556942554.db2.gz CKRJLLVLAFXEOZ-DENIHFKCSA-N 1 3 369.557 2.494 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371824442 557304424 /nfs/dbraw/zinc/30/44/24/557304424.db2.gz WJEDBGXNUOSYNY-LJQANCHMSA-N 1 3 364.578 2.149 20 30 FEEDHO CCN(C[C@H](C)C#N)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834610 557938027 /nfs/dbraw/zinc/93/80/27/557938027.db2.gz AYVXNIWKBZVQDD-QGZVFWFLSA-N 1 3 357.502 2.238 20 30 FEEDHO C=CCc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1O ZINC000414973586 559198282 /nfs/dbraw/zinc/19/82/82/559198282.db2.gz KOMKGBSEBARVHR-INIZCTEOSA-N 1 3 373.419 2.055 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000601968586 567889942 /nfs/dbraw/zinc/88/99/42/567889942.db2.gz OVGPMKKISSOSBZ-HMXCVIKNSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000601968586 567889943 /nfs/dbraw/zinc/88/99/43/567889943.db2.gz OVGPMKKISSOSBZ-HMXCVIKNSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000601968586 567889944 /nfs/dbraw/zinc/88/99/44/567889944.db2.gz OVGPMKKISSOSBZ-HMXCVIKNSA-N 1 3 371.525 2.415 20 30 FEEDHO CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000086741089 670684727 /nfs/dbraw/zinc/68/47/27/670684727.db2.gz ZGCIDZKKLWGJCJ-KRWDZBQOSA-N 1 3 368.591 2.424 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734365415 673461202 /nfs/dbraw/zinc/46/12/02/673461202.db2.gz ZPFJEEQRYWDHOG-MRXNPFEDSA-N 1 3 361.559 2.300 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520339 686214245 /nfs/dbraw/zinc/21/42/45/686214245.db2.gz JKVJITWAYYULHY-AWEZNQCLSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521143 686214653 /nfs/dbraw/zinc/21/46/53/686214653.db2.gz IEYZDVHUCCQBFR-JSGCOSHPSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000876766466 686264152 /nfs/dbraw/zinc/26/41/52/686264152.db2.gz KSMUZCMMFSLQTH-WBVHZDCISA-N 1 3 365.905 2.473 20 30 FEEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000884178788 687809236 /nfs/dbraw/zinc/80/92/36/687809236.db2.gz UYBODCGZRCIXPI-BHEGOAEISA-N 1 3 358.511 2.141 20 30 FEEDHO C#CCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120110254 543675329 /nfs/dbraw/zinc/67/53/29/543675329.db2.gz IBDKPLQADSZXPP-UHFFFAOYSA-N 1 3 370.497 2.379 20 30 FEEDHO COc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C#N ZINC000174411240 327325430 /nfs/dbraw/zinc/32/54/30/327325430.db2.gz DLDAWKGKKDTTHR-UHFFFAOYSA-N 1 3 366.465 2.148 20 30 FEEDHO CN(C)C(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000170904349 546181642 /nfs/dbraw/zinc/18/16/42/546181642.db2.gz NQQXGHUXYPFNLC-UHFFFAOYSA-N 1 3 351.498 2.385 20 30 FEEDHO OCC[C@@H](NCC#CC[NH2+][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693259 550811910 /nfs/dbraw/zinc/81/19/10/550811910.db2.gz SKGYVEQRRSHBOJ-FGZHOGPDSA-N 1 3 352.478 2.416 20 30 FEEDHO C#Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000289940681 552402787 /nfs/dbraw/zinc/40/27/87/552402787.db2.gz XCNFLRWJSGRFGQ-UHFFFAOYSA-N 1 3 353.510 2.482 20 30 FEEDHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000329201972 553900919 /nfs/dbraw/zinc/90/09/19/553900919.db2.gz VUHVXRMIKZAJBF-IRXDYDNUSA-N 1 3 366.550 2.395 20 30 FEEDHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329284063 553918025 /nfs/dbraw/zinc/91/80/25/553918025.db2.gz FXWQDLPNOKGULD-SFHVURJKSA-N 1 3 371.529 2.171 20 30 FEEDHO C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2C#N)CCN1C ZINC000333047623 554564534 /nfs/dbraw/zinc/56/45/34/554564534.db2.gz KSALMUADTRWUDU-JOCBIADPSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2C#N)CCN1C ZINC000333047623 554564535 /nfs/dbraw/zinc/56/45/35/554564535.db2.gz KSALMUADTRWUDU-JOCBIADPSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@H]1CN(CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000374602554 557905450 /nfs/dbraw/zinc/90/54/50/557905450.db2.gz IFJHEHSFRJMBJY-SFHVURJKSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418712646 559412077 /nfs/dbraw/zinc/41/20/77/559412077.db2.gz GQKAQESKETVGJW-RTBURBONSA-N 1 3 357.502 2.149 20 30 FEEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000433341544 559877359 /nfs/dbraw/zinc/87/73/59/559877359.db2.gz IHMLVTYCMJGWGC-RTBURBONSA-N 1 3 355.482 2.376 20 30 FEEDHO C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000459376168 560683238 /nfs/dbraw/zinc/68/32/38/560683238.db2.gz QZDMPTPHUJDQIJ-HNNXBMFYSA-N 1 3 357.458 2.067 20 30 FEEDHO C=CCOc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469850054 560966699 /nfs/dbraw/zinc/96/66/99/560966699.db2.gz GMQNBVVQIODGPG-ICSRJNTNSA-N 1 3 357.498 2.332 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000636740587 567999217 /nfs/dbraw/zinc/99/92/17/567999217.db2.gz ACPDGKTUJWWDPA-UHFFFAOYSA-N 1 3 360.506 2.312 20 30 FEEDHO [NH2+]=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCSCC1 ZINC000262427155 672915680 /nfs/dbraw/zinc/91/56/80/672915680.db2.gz CYJRHXHMZSAPPL-UHFFFAOYSA-N 1 3 350.454 2.155 20 30 FEEDHO C[N@@H+]1C[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735041 681459525 /nfs/dbraw/zinc/45/95/25/681459525.db2.gz IWRCCCWPIVDPNJ-LPMFXHHGSA-N 1 3 354.479 2.356 20 30 FEEDHO C[N@H+]1C[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735041 681459528 /nfs/dbraw/zinc/45/95/28/681459528.db2.gz IWRCCCWPIVDPNJ-LPMFXHHGSA-N 1 3 354.479 2.356 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462554 544778768 /nfs/dbraw/zinc/77/87/68/544778768.db2.gz JNKFYSKLZVKCFW-LBPRGKRZSA-N 1 3 355.280 2.043 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc([O-])c(Br)c1 ZINC000153462554 544778772 /nfs/dbraw/zinc/77/87/72/544778772.db2.gz JNKFYSKLZVKCFW-LBPRGKRZSA-N 1 3 355.280 2.043 20 30 FEEDHO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000264085084 549977351 /nfs/dbraw/zinc/97/73/51/549977351.db2.gz IZBMIAYSUZDJFD-CYBMUJFWSA-N 1 3 373.423 2.195 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000264089062 549978135 /nfs/dbraw/zinc/97/81/35/549978135.db2.gz KLUYHMIFHQSWIZ-KRWDZBQOSA-N 1 3 360.506 2.105 20 30 FEEDHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C#N ZINC000281458222 551100015 /nfs/dbraw/zinc/10/00/15/551100015.db2.gz ARSMTWZBSIYPDM-FQEVSTJZSA-N 1 3 351.450 2.423 20 30 FEEDHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C#N ZINC000281458222 551100018 /nfs/dbraw/zinc/10/00/18/551100018.db2.gz ARSMTWZBSIYPDM-FQEVSTJZSA-N 1 3 351.450 2.423 20 30 FEEDHO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147863 552698411 /nfs/dbraw/zinc/69/84/11/552698411.db2.gz NEANFMYYSNLOKG-WIYYLYMNSA-N 1 3 360.498 2.191 20 30 FEEDHO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147863 552698413 /nfs/dbraw/zinc/69/84/13/552698413.db2.gz NEANFMYYSNLOKG-WIYYLYMNSA-N 1 3 360.498 2.191 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504316257 561656182 /nfs/dbraw/zinc/65/61/82/561656182.db2.gz GBUZVCRBLDHNFP-UXHICEINSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316257 561656183 /nfs/dbraw/zinc/65/61/83/561656183.db2.gz GBUZVCRBLDHNFP-UXHICEINSA-N 1 3 369.513 2.258 20 30 FEEDHO CC(C)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330210279 554085739 /nfs/dbraw/zinc/08/57/39/554085739.db2.gz CGGLIPKSGUUXQY-MOPGFXCFSA-N 1 3 366.550 2.084 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130218 561926401 /nfs/dbraw/zinc/92/64/01/561926401.db2.gz RPUFCDXIRWQWFP-KRWDZBQOSA-N 1 3 351.539 2.374 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130218 561926402 /nfs/dbraw/zinc/92/64/02/561926402.db2.gz RPUFCDXIRWQWFP-KRWDZBQOSA-N 1 3 351.539 2.374 20 30 FEEDHO C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368050180 556204863 /nfs/dbraw/zinc/20/48/63/556204863.db2.gz DEHNLCVKKYLXGG-AZUAARDMSA-N 1 3 356.514 2.437 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815173 560896529 /nfs/dbraw/zinc/89/65/29/560896529.db2.gz LKCJJOMWUFXCPL-FQEVSTJZSA-N 1 3 371.529 2.158 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815173 560896530 /nfs/dbraw/zinc/89/65/30/560896530.db2.gz LKCJJOMWUFXCPL-FQEVSTJZSA-N 1 3 371.529 2.158 20 30 FEEDHO C=CCOc1ccccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469867386 560967393 /nfs/dbraw/zinc/96/73/93/560967393.db2.gz VQCYFDUDDPJNDL-MJGOQNOKSA-N 1 3 357.498 2.332 20 30 FEEDHO C(#CCN1CC[NH+](C2CCCC2)CC1)CN1CCN(C2CCCC2)CC1 ZINC000472771552 561034915 /nfs/dbraw/zinc/03/49/15/561034915.db2.gz NXGGRGIVSIKENN-UHFFFAOYSA-N 1 3 358.574 2.110 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F ZINC000262006416 672907301 /nfs/dbraw/zinc/90/73/01/672907301.db2.gz RQOFFUIDNXGYET-ZDUSSCGKSA-N 1 3 357.271 2.477 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995826256 680304867 /nfs/dbraw/zinc/30/48/67/680304867.db2.gz PIATWPWBXHVOCU-XYPHTWIQSA-N 1 3 360.527 2.287 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995826256 680304871 /nfs/dbraw/zinc/30/48/71/680304871.db2.gz PIATWPWBXHVOCU-XYPHTWIQSA-N 1 3 360.527 2.287 20 30 FEEDHO N#CCc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971939 540337324 /nfs/dbraw/zinc/33/73/24/540337324.db2.gz ILYXXFIUDOQDBA-HXUWFJFHSA-N 1 3 357.498 2.300 20 30 FEEDHO C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000076512821 542288618 /nfs/dbraw/zinc/28/86/18/542288618.db2.gz MKLCWEUGRLGPQU-UHFFFAOYSA-N 1 3 372.513 2.234 20 30 FEEDHO C[C@@H](C(=O)N(C)CCC#N)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821447 542888960 /nfs/dbraw/zinc/88/89/60/542888960.db2.gz KGLGFDKXBNWENX-KRWDZBQOSA-N 1 3 357.502 2.380 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000266822296 550024633 /nfs/dbraw/zinc/02/46/33/550024633.db2.gz XNQKSZNDIBCIHQ-UHFFFAOYSA-N 1 3 370.541 2.425 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000276243925 550577653 /nfs/dbraw/zinc/57/76/53/550577653.db2.gz OPYNXHFSKHAKFG-GBESFXJTSA-N 1 3 351.535 2.302 20 30 FEEDHO C#CCN1CCC(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000285109057 551705738 /nfs/dbraw/zinc/70/57/38/551705738.db2.gz YISVZMULZULNCQ-UHFFFAOYSA-N 1 3 369.509 2.121 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000329049404 553871186 /nfs/dbraw/zinc/87/11/86/553871186.db2.gz KJYVKPLNOMLLJK-OAHLLOKOSA-N 1 3 364.534 2.149 20 30 FEEDHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330331455 554106238 /nfs/dbraw/zinc/10/62/38/554106238.db2.gz OAYCKGHVTMVGEU-QRFRQXIXSA-N 1 3 371.529 2.405 20 30 FEEDHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330331455 554106239 /nfs/dbraw/zinc/10/62/39/554106239.db2.gz OAYCKGHVTMVGEU-QRFRQXIXSA-N 1 3 371.529 2.405 20 30 FEEDHO C[C@H](C#N)Oc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000368584047 556353125 /nfs/dbraw/zinc/35/31/25/556353125.db2.gz LPKWUEJZBOBCDC-GOSISDBHSA-N 1 3 356.514 2.437 20 30 FEEDHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000466033185 560878745 /nfs/dbraw/zinc/87/87/45/560878745.db2.gz BKNWBBRXQYPNDZ-APWZRJJASA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033185 560878746 /nfs/dbraw/zinc/87/87/46/560878746.db2.gz BKNWBBRXQYPNDZ-APWZRJJASA-N 1 3 357.502 2.114 20 30 FEEDHO C=CCN1CCC(NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000530950609 562429510 /nfs/dbraw/zinc/42/95/10/562429510.db2.gz REZUDUYRMPEASJ-UHFFFAOYSA-N 1 3 360.506 2.230 20 30 FEEDHO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000086741125 670684520 /nfs/dbraw/zinc/68/45/20/670684520.db2.gz IOEHXGRHOJHGIR-MRXNPFEDSA-N 1 3 354.564 2.034 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1 ZINC000303895142 673018664 /nfs/dbraw/zinc/01/86/64/673018664.db2.gz SZMVGSZNBDVOTQ-CQSZACIVSA-N 1 3 369.307 2.217 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000876745773 686259480 /nfs/dbraw/zinc/25/94/80/686259480.db2.gz LPNCYPWZMASWDF-QGZVFWFLSA-N 1 3 351.878 2.299 20 30 FEEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000104191939 543126255 /nfs/dbraw/zinc/12/62/55/543126255.db2.gz UXELJROMSVOOTE-GOSISDBHSA-N 1 3 359.518 2.479 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272300386 550435753 /nfs/dbraw/zinc/43/57/53/550435753.db2.gz POOYRJOBGWFPSW-WIYYLYMNSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300386 550435755 /nfs/dbraw/zinc/43/57/55/550435755.db2.gz POOYRJOBGWFPSW-WIYYLYMNSA-N 1 3 353.510 2.358 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000304764030 553747460 /nfs/dbraw/zinc/74/74/60/553747460.db2.gz XLBSTZYYCNFYIL-AWEZNQCLSA-N 1 3 362.865 2.279 20 30 FEEDHO COc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1C#N ZINC000374216312 557844665 /nfs/dbraw/zinc/84/46/65/557844665.db2.gz JJGOUKLZONPFHN-UHFFFAOYSA-N 1 3 356.514 2.416 20 30 FEEDHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000418331936 559397834 /nfs/dbraw/zinc/39/78/34/559397834.db2.gz CWUPZHAAGKTXLP-APWZRJJASA-N 1 3 357.502 2.020 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418436140 559401454 /nfs/dbraw/zinc/40/14/54/559401454.db2.gz WTFZBQKYJDKNPU-RBUKOAKNSA-N 1 3 357.502 2.149 20 30 FEEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253311 561021893 /nfs/dbraw/zinc/02/18/93/561021893.db2.gz ATPBWARJPMOWHO-VQTJNVASSA-N 1 3 350.466 2.431 20 30 FEEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253311 561021894 /nfs/dbraw/zinc/02/18/94/561021894.db2.gz ATPBWARJPMOWHO-VQTJNVASSA-N 1 3 350.466 2.431 20 30 FEEDHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000817971647 675188461 /nfs/dbraw/zinc/18/84/61/675188461.db2.gz FZVJTLYLYLAIAR-CJNGLKHVSA-N 1 3 356.392 2.076 20 30 FEEDHO C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734365414 673461229 /nfs/dbraw/zinc/46/12/29/673461229.db2.gz ZPFJEEQRYWDHOG-INIZCTEOSA-N 1 3 361.559 2.300 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC000960010730 682020399 /nfs/dbraw/zinc/02/03/99/682020399.db2.gz OVDYQTHTOFSQMD-RVKKMQEKSA-N 1 3 360.527 2.431 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC000960010730 682020405 /nfs/dbraw/zinc/02/04/05/682020405.db2.gz OVDYQTHTOFSQMD-RVKKMQEKSA-N 1 3 360.527 2.431 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000876785242 686268223 /nfs/dbraw/zinc/26/82/23/686268223.db2.gz ROAMWZAYVZVLNP-GOSISDBHSA-N 1 3 370.969 2.111 20 30 FEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000876904442 686291885 /nfs/dbraw/zinc/29/18/85/686291885.db2.gz YZVVDZAOAHKANK-SJORKVTESA-N 1 3 351.878 2.418 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000050029274 540397527 /nfs/dbraw/zinc/39/75/27/540397527.db2.gz NDYQRJVRDXNEAZ-NRFANRHFSA-N 1 3 355.526 2.401 20 30 FEEDHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC000105267615 543167474 /nfs/dbraw/zinc/16/74/74/543167474.db2.gz ZIKVDFLVVJWCGT-INIZCTEOSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@@H+](C)C1CC1 ZINC000105267615 543167478 /nfs/dbraw/zinc/16/74/78/543167478.db2.gz ZIKVDFLVVJWCGT-INIZCTEOSA-N 1 3 357.502 2.114 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272714 550029708 /nfs/dbraw/zinc/02/97/08/550029708.db2.gz ARIQPXWYALIDMC-GHTZIAJQSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272714 550029711 /nfs/dbraw/zinc/02/97/11/550029711.db2.gz ARIQPXWYALIDMC-GHTZIAJQSA-N 1 3 353.510 2.358 20 30 FEEDHO OCC[C@H](NCC#CC[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693267 550811924 /nfs/dbraw/zinc/81/19/24/550811924.db2.gz SKGYVEQRRSHBOJ-VXKWHMMOSA-N 1 3 352.478 2.416 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000280897714 551043576 /nfs/dbraw/zinc/04/35/76/551043576.db2.gz BKOSMFLUKCNVII-TZIWHRDSSA-N 1 3 351.494 2.475 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000280897714 551043577 /nfs/dbraw/zinc/04/35/77/551043577.db2.gz BKOSMFLUKCNVII-TZIWHRDSSA-N 1 3 351.494 2.475 20 30 FEEDHO N#Cc1ccc(CC(C#N)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000280960562 551049480 /nfs/dbraw/zinc/04/94/80/551049480.db2.gz QZJKPTJUSFUJNN-LJQANCHMSA-N 1 3 366.465 2.002 20 30 FEEDHO CCOCCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000304757422 553747724 /nfs/dbraw/zinc/74/77/24/553747724.db2.gz OVPITPQJGBGKJG-PKOBYXMFSA-N 1 3 362.518 2.409 20 30 FEEDHO N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000376122235 558129738 /nfs/dbraw/zinc/12/97/38/558129738.db2.gz GHWOMCYEVHSMCF-SLFFLAALSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000376122235 558129739 /nfs/dbraw/zinc/12/97/39/558129739.db2.gz GHWOMCYEVHSMCF-SLFFLAALSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000376122235 558129741 /nfs/dbraw/zinc/12/97/41/558129741.db2.gz GHWOMCYEVHSMCF-SLFFLAALSA-N 1 3 364.497 2.430 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049617 562274692 /nfs/dbraw/zinc/27/46/92/562274692.db2.gz GCTCEYZGDRJNKR-IAGOWNOFSA-N 1 3 354.498 2.295 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984626 559517571 /nfs/dbraw/zinc/51/75/71/559517571.db2.gz UAFVGDOUVHAFQJ-IBGZPJMESA-N 1 3 362.562 2.068 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984626 559517572 /nfs/dbraw/zinc/51/75/72/559517572.db2.gz UAFVGDOUVHAFQJ-IBGZPJMESA-N 1 3 362.562 2.068 20 30 FEEDHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](N)CCCC#N ZINC000424132693 559655832 /nfs/dbraw/zinc/65/58/32/559655832.db2.gz IIQIVZURFQARPU-OAHLLOKOSA-N 1 3 356.474 2.338 20 30 FEEDHO C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000459376169 560683183 /nfs/dbraw/zinc/68/31/83/560683183.db2.gz QZDMPTPHUJDQIJ-OAHLLOKOSA-N 1 3 357.458 2.067 20 30 FEEDHO C=CCOc1ccccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469867385 560967297 /nfs/dbraw/zinc/96/72/97/560967297.db2.gz VQCYFDUDDPJNDL-IEBWSBKVSA-N 1 3 357.498 2.332 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1 ZINC000304771925 673020952 /nfs/dbraw/zinc/02/09/52/673020952.db2.gz AKCSPMPHDIQFRQ-HNNXBMFYSA-N 1 3 363.472 2.039 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000999210704 680399151 /nfs/dbraw/zinc/39/91/51/680399151.db2.gz UUWFXVXJGYOXPM-JCGIZDLHSA-N 1 3 360.527 2.431 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999210704 680399155 /nfs/dbraw/zinc/39/91/55/680399155.db2.gz UUWFXVXJGYOXPM-JCGIZDLHSA-N 1 3 360.527 2.431 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001045044687 680620144 /nfs/dbraw/zinc/62/01/44/680620144.db2.gz QZGCFQQLCJKMJL-JCGIZDLHSA-N 1 3 360.527 2.431 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001045044687 680620149 /nfs/dbraw/zinc/62/01/49/680620149.db2.gz QZGCFQQLCJKMJL-JCGIZDLHSA-N 1 3 360.527 2.431 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000107266535 543264236 /nfs/dbraw/zinc/26/42/36/543264236.db2.gz VPMONYIVUWBMCH-UHFFFAOYSA-N 1 3 371.500 2.499 20 30 FEEDHO COc1ccc(CNC(=[NH2+])NCc2cccc(CN(C)C)c2)cc1OC ZINC000264101543 549979017 /nfs/dbraw/zinc/97/90/17/549979017.db2.gz OEUSSBLIGLLBCG-UHFFFAOYSA-N 1 3 356.470 2.370 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000296948880 553233510 /nfs/dbraw/zinc/23/35/10/553233510.db2.gz QBMNVKQALSDCMU-FQEVSTJZSA-N 1 3 356.514 2.105 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000296948880 553233511 /nfs/dbraw/zinc/23/35/11/553233511.db2.gz QBMNVKQALSDCMU-FQEVSTJZSA-N 1 3 356.514 2.105 20 30 FEEDHO CN(CCCOc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378296485 558523203 /nfs/dbraw/zinc/52/32/03/558523203.db2.gz RVUQPXPBKJDTMA-HXUWFJFHSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(CCCOc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378296485 558523207 /nfs/dbraw/zinc/52/32/07/558523207.db2.gz RVUQPXPBKJDTMA-HXUWFJFHSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636383 559408864 /nfs/dbraw/zinc/40/88/64/559408864.db2.gz IFXKFOWDIQGQMJ-IBGZPJMESA-N 1 3 371.529 2.410 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000437986890 559972592 /nfs/dbraw/zinc/97/25/92/559972592.db2.gz NSQZRUYYKONAFN-OTWHNJEPSA-N 1 3 366.550 2.025 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000437986890 559972593 /nfs/dbraw/zinc/97/25/93/559972593.db2.gz NSQZRUYYKONAFN-OTWHNJEPSA-N 1 3 366.550 2.025 20 30 FEEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769204 560964214 /nfs/dbraw/zinc/96/42/14/560964214.db2.gz NSPROWLZRREBCG-FTEYMNFISA-N 1 3 366.550 2.156 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473004832 561040056 /nfs/dbraw/zinc/04/00/56/561040056.db2.gz XUGZKJKCGOHQJA-IBGZPJMESA-N 1 3 366.550 2.169 20 30 FEEDHO C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262489987 672916963 /nfs/dbraw/zinc/91/69/63/672916963.db2.gz UPVBVXAMYNKLIP-IAGOWNOFSA-N 1 3 363.575 2.486 20 30 FEEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000481662107 561238158 /nfs/dbraw/zinc/23/81/58/561238158.db2.gz UUQAWIHBGVDXST-JOCHJYFZSA-N 1 3 370.541 2.305 20 30 FEEDHO Cn1cc(CNCCN2CCC([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180280015 547078971 /nfs/dbraw/zinc/07/89/71/547078971.db2.gz BGKNLOAFEUZSGD-UHFFFAOYSA-N 1 3 366.513 2.074 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263244091 549888430 /nfs/dbraw/zinc/88/84/30/549888430.db2.gz MDVFZMCBQHKTMS-AWEZNQCLSA-N 1 3 366.893 2.390 20 30 FEEDHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000263894676 549952157 /nfs/dbraw/zinc/95/21/57/549952157.db2.gz VEVZZEFEFOXJNT-QGZVFWFLSA-N 1 3 359.518 2.362 20 30 FEEDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000263894676 549952159 /nfs/dbraw/zinc/95/21/59/549952159.db2.gz VEVZZEFEFOXJNT-QGZVFWFLSA-N 1 3 359.518 2.362 20 30 FEEDHO C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000264564879 549997880 /nfs/dbraw/zinc/99/78/80/549997880.db2.gz RFEJNPKVPNCIEM-NRFANRHFSA-N 1 3 368.525 2.240 20 30 FEEDHO C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000264564879 549997881 /nfs/dbraw/zinc/99/78/81/549997881.db2.gz RFEJNPKVPNCIEM-NRFANRHFSA-N 1 3 368.525 2.240 20 30 FEEDHO N#Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000289951238 552404604 /nfs/dbraw/zinc/40/46/04/552404604.db2.gz XXONVGTXIANEIB-UHFFFAOYSA-N 1 3 354.498 2.372 20 30 FEEDHO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147857 552698479 /nfs/dbraw/zinc/69/84/79/552698479.db2.gz NEANFMYYSNLOKG-GHTZIAJQSA-N 1 3 360.498 2.191 20 30 FEEDHO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147857 552698480 /nfs/dbraw/zinc/69/84/80/552698480.db2.gz NEANFMYYSNLOKG-GHTZIAJQSA-N 1 3 360.498 2.191 20 30 FEEDHO C=CCOc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000294809911 552935615 /nfs/dbraw/zinc/93/56/15/552935615.db2.gz VELMVGKHTPRNQN-UHFFFAOYSA-N 1 3 371.525 2.469 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755125 561679379 /nfs/dbraw/zinc/67/93/79/561679379.db2.gz PZXSBUJPYUXHJM-HXUWFJFHSA-N 1 3 356.514 2.365 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755125 561679381 /nfs/dbraw/zinc/67/93/81/561679381.db2.gz PZXSBUJPYUXHJM-HXUWFJFHSA-N 1 3 356.514 2.365 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000369994802 556751756 /nfs/dbraw/zinc/75/17/56/556751756.db2.gz IXNLIRLMFHBKBZ-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000369994802 556751760 /nfs/dbraw/zinc/75/17/60/556751760.db2.gz IXNLIRLMFHBKBZ-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415603736 559254483 /nfs/dbraw/zinc/25/44/83/559254483.db2.gz UNTAYSXOVVFHRW-IOASZLSFSA-N 1 3 364.471 2.011 20 30 FEEDHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000418331937 559397843 /nfs/dbraw/zinc/39/78/43/559397843.db2.gz CWUPZHAAGKTXLP-LPHOPBHVSA-N 1 3 357.502 2.020 20 30 FEEDHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418331938 559397941 /nfs/dbraw/zinc/39/79/41/559397941.db2.gz CWUPZHAAGKTXLP-QFBILLFUSA-N 1 3 357.502 2.020 20 30 FEEDHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000420977045 559516668 /nfs/dbraw/zinc/51/66/68/559516668.db2.gz HOQQPHGLCNEDKH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO CCN1CCC([N@H+]2CCCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000420977045 559516669 /nfs/dbraw/zinc/51/66/69/559516669.db2.gz HOQQPHGLCNEDKH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO CC[NH+]1CCC(N2CCCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000420977045 559516670 /nfs/dbraw/zinc/51/66/70/559516670.db2.gz HOQQPHGLCNEDKH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205354 559975551 /nfs/dbraw/zinc/97/55/51/559975551.db2.gz AONVMDNYVDATFL-KRWDZBQOSA-N 1 3 373.501 2.447 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205354 559975552 /nfs/dbraw/zinc/97/55/52/559975552.db2.gz AONVMDNYVDATFL-KRWDZBQOSA-N 1 3 373.501 2.447 20 30 FEEDHO C=CCCOCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000537192320 562587452 /nfs/dbraw/zinc/58/74/52/562587452.db2.gz YZHGRVDIASTYHC-UHFFFAOYSA-N 1 3 351.535 2.424 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000104173911 670790376 /nfs/dbraw/zinc/79/03/76/670790376.db2.gz HAMRUMDETFXOQQ-GOSISDBHSA-N 1 3 361.559 2.128 20 30 FEEDHO C=CCOc1c(Cl)cc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000623428717 676534742 /nfs/dbraw/zinc/53/47/42/676534742.db2.gz XKANPKRAFVKPRD-UHFFFAOYSA-N 1 3 354.878 2.460 20 30 FEEDHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761593 540443697 /nfs/dbraw/zinc/44/36/97/540443697.db2.gz AIQVHFOSYHSVPF-MRXNPFEDSA-N 1 3 369.513 2.477 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000106262927 543221586 /nfs/dbraw/zinc/22/15/86/543221586.db2.gz OTXGJAHGSQYTGJ-UHFFFAOYSA-N 1 3 374.529 2.467 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000173510737 546283095 /nfs/dbraw/zinc/28/30/95/546283095.db2.gz QHVMFCVQGHWGGU-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000173510737 546283099 /nfs/dbraw/zinc/28/30/99/546283099.db2.gz QHVMFCVQGHWGGU-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1 ZINC000264098706 549978935 /nfs/dbraw/zinc/97/89/35/549978935.db2.gz NJIAKZQJHPLHGM-SFHVURJKSA-N 1 3 362.493 2.263 20 30 FEEDHO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272562262 550458133 /nfs/dbraw/zinc/45/81/33/550458133.db2.gz GUMVMTXFDOQYMW-HTXRYDERSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H](NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562262 550458134 /nfs/dbraw/zinc/45/81/34/550458134.db2.gz GUMVMTXFDOQYMW-HTXRYDERSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H](NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562262 550458135 /nfs/dbraw/zinc/45/81/35/550458135.db2.gz GUMVMTXFDOQYMW-HTXRYDERSA-N 1 3 368.481 2.013 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000297514481 553302715 /nfs/dbraw/zinc/30/27/15/553302715.db2.gz PLCXCXGOVASATM-HXUWFJFHSA-N 1 3 371.529 2.033 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000297514481 553302716 /nfs/dbraw/zinc/30/27/16/553302716.db2.gz PLCXCXGOVASATM-HXUWFJFHSA-N 1 3 371.529 2.033 20 30 FEEDHO C#CCN1CCC(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000299576771 553583742 /nfs/dbraw/zinc/58/37/42/553583742.db2.gz CMCGLXHHOBDJFW-UHFFFAOYSA-N 1 3 355.526 2.355 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000329049403 553871441 /nfs/dbraw/zinc/87/14/41/553871441.db2.gz KJYVKPLNOMLLJK-HNNXBMFYSA-N 1 3 364.534 2.149 20 30 FEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000368878615 556436834 /nfs/dbraw/zinc/43/68/34/556436834.db2.gz VCHOXNIBKWGJRD-UHFFFAOYSA-N 1 3 367.537 2.403 20 30 FEEDHO CN(CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472061 558033295 /nfs/dbraw/zinc/03/32/95/558033295.db2.gz NAJNLXNPHJUIJC-GTYQWKCWSA-N 1 3 360.542 2.480 20 30 FEEDHO CN(CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472061 558033296 /nfs/dbraw/zinc/03/32/96/558033296.db2.gz NAJNLXNPHJUIJC-GTYQWKCWSA-N 1 3 360.542 2.480 20 30 FEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCS[C@@H](C(C)C)C1 ZINC000261853706 672904548 /nfs/dbraw/zinc/90/45/48/672904548.db2.gz YJACMSAKLYXNRG-QGZVFWFLSA-N 1 3 368.591 2.280 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518190 686214339 /nfs/dbraw/zinc/21/43/39/686214339.db2.gz CKQRWDLFLWYCMK-HNNXBMFYSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000876722049 686252820 /nfs/dbraw/zinc/25/28/20/686252820.db2.gz ZUOLMZYJIVWSOY-MRXNPFEDSA-N 1 3 366.893 2.167 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000050800099 540414413 /nfs/dbraw/zinc/41/44/13/540414413.db2.gz QGVJEIKNYLXPKE-UHFFFAOYSA-N 1 3 354.498 2.166 20 30 FEEDHO C=CCN1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093126411 542910010 /nfs/dbraw/zinc/91/00/10/542910010.db2.gz MGNYZNNFSCYSAI-UHFFFAOYSA-N 1 3 357.502 2.248 20 30 FEEDHO CN1CCN(CCCNC(=[NH2+])Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000170913743 546182369 /nfs/dbraw/zinc/18/23/69/546182369.db2.gz BCIWIUBWMARZIH-SFHVURJKSA-N 1 3 352.486 2.187 20 30 FEEDHO [NH2+]=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000170913754 546182551 /nfs/dbraw/zinc/18/25/51/546182551.db2.gz UWOFSUPLOHZMRY-UHFFFAOYSA-N 1 3 352.486 2.016 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000175740047 546342109 /nfs/dbraw/zinc/34/21/09/546342109.db2.gz YLOKZQPGLQSIQZ-UHFFFAOYSA-N 1 3 366.550 2.169 20 30 FEEDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C#N ZINC000180997389 547227313 /nfs/dbraw/zinc/22/73/13/547227313.db2.gz FDLATKATPKXRKH-FQEVSTJZSA-N 1 3 351.450 2.423 20 30 FEEDHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C#N ZINC000180997389 547227318 /nfs/dbraw/zinc/22/73/18/547227318.db2.gz FDLATKATPKXRKH-FQEVSTJZSA-N 1 3 351.450 2.423 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264344630 549994437 /nfs/dbraw/zinc/99/44/37/549994437.db2.gz WBFMFLWSKOWUFB-FQEVSTJZSA-N 1 3 353.510 2.012 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264344630 549994440 /nfs/dbraw/zinc/99/44/40/549994440.db2.gz WBFMFLWSKOWUFB-FQEVSTJZSA-N 1 3 353.510 2.012 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272300383 550435626 /nfs/dbraw/zinc/43/56/26/550435626.db2.gz POOYRJOBGWFPSW-RXVVDRJESA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300383 550435627 /nfs/dbraw/zinc/43/56/27/550435627.db2.gz POOYRJOBGWFPSW-RXVVDRJESA-N 1 3 353.510 2.358 20 30 FEEDHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)Nc1cc(F)ccc1F ZINC000288727085 552201694 /nfs/dbraw/zinc/20/16/94/552201694.db2.gz MVJCWIZHXMYQIU-UHFFFAOYSA-N 1 3 374.439 2.299 20 30 FEEDHO C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000374602552 557905499 /nfs/dbraw/zinc/90/54/99/557905499.db2.gz IFJHEHSFRJMBJY-GOSISDBHSA-N 1 3 356.514 2.427 20 30 FEEDHO N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000376122237 558129835 /nfs/dbraw/zinc/12/98/35/558129835.db2.gz GHWOMCYEVHSMCF-XUVXKRRUSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000376122237 558129837 /nfs/dbraw/zinc/12/98/37/558129837.db2.gz GHWOMCYEVHSMCF-XUVXKRRUSA-N 1 3 364.497 2.430 20 30 FEEDHO N#Cc1ncn(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000376122237 558129839 /nfs/dbraw/zinc/12/98/39/558129839.db2.gz GHWOMCYEVHSMCF-XUVXKRRUSA-N 1 3 364.497 2.430 20 30 FEEDHO CN(C[C@H]1CCCN1C)c1nc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1C#N ZINC000420645137 559495071 /nfs/dbraw/zinc/49/50/71/559495071.db2.gz ZWQMRLBMNLEGMG-ZWKOTPCHSA-N 1 3 356.518 2.014 20 30 FEEDHO CN(C[C@H]1CCCN1C)c1nc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1C#N ZINC000420645137 559495072 /nfs/dbraw/zinc/49/50/72/559495072.db2.gz ZWQMRLBMNLEGMG-ZWKOTPCHSA-N 1 3 356.518 2.014 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305660 /nfs/dbraw/zinc/30/56/60/560305660.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305661 /nfs/dbraw/zinc/30/56/61/560305661.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305662 /nfs/dbraw/zinc/30/56/62/560305662.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305663 /nfs/dbraw/zinc/30/56/63/560305663.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 1 3 360.542 2.241 20 30 FEEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253309 561021916 /nfs/dbraw/zinc/02/19/16/561021916.db2.gz ATPBWARJPMOWHO-PMACEKPBSA-N 1 3 350.466 2.431 20 30 FEEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253309 561021917 /nfs/dbraw/zinc/02/19/17/561021917.db2.gz ATPBWARJPMOWHO-PMACEKPBSA-N 1 3 350.466 2.431 20 30 FEEDHO C#CCOc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000817971599 675188454 /nfs/dbraw/zinc/18/84/54/675188454.db2.gz FVQVRCXOFVLPEM-PBHICJAKSA-N 1 3 355.404 2.185 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000999210681 680399271 /nfs/dbraw/zinc/39/92/71/680399271.db2.gz UUWFXVXJGYOXPM-FHLIZLRMSA-N 1 3 360.527 2.431 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999210681 680399273 /nfs/dbraw/zinc/39/92/73/680399273.db2.gz UUWFXVXJGYOXPM-FHLIZLRMSA-N 1 3 360.527 2.431 20 30 FEEDHO CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000912506510 685388557 /nfs/dbraw/zinc/38/85/57/685388557.db2.gz OBZRIQAEANHVMA-HUUCEWRRSA-N 1 3 350.532 2.445 20 30 FEEDHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722804 686253760 /nfs/dbraw/zinc/25/37/60/686253760.db2.gz FMUMMHRKVPKYAC-ZWKOTPCHSA-N 1 3 354.479 2.226 20 30 FEEDHO C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798866 540414960 /nfs/dbraw/zinc/41/49/60/540414960.db2.gz YUGLXWWMAZIWEL-INIZCTEOSA-N 1 3 370.497 2.000 20 30 FEEDHO C#CCN1CCC(C(=O)NCc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000057172021 540775850 /nfs/dbraw/zinc/77/58/50/540775850.db2.gz AJALJUDLGLSKHH-UHFFFAOYSA-N 1 3 371.525 2.369 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790576 327284245 /nfs/dbraw/zinc/28/42/45/327284245.db2.gz OERHERBQRVHZOC-LJQANCHMSA-N 1 3 357.502 2.116 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790576 327284247 /nfs/dbraw/zinc/28/42/47/327284247.db2.gz OERHERBQRVHZOC-LJQANCHMSA-N 1 3 357.502 2.116 20 30 FEEDHO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CCN(C)CC1 ZINC000160679705 546062385 /nfs/dbraw/zinc/06/23/85/546062385.db2.gz CFZNFUJFZFFXHU-ZDUSSCGKSA-N 1 3 373.423 2.195 20 30 FEEDHO CN(C)C(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000170906780 546181958 /nfs/dbraw/zinc/18/19/58/546181958.db2.gz SYYSRZUALKBDTM-UHFFFAOYSA-N 1 3 371.451 2.484 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000173160679 546275174 /nfs/dbraw/zinc/27/51/74/546275174.db2.gz YUWMJRWTVMAIQA-UHFFFAOYSA-N 1 3 356.514 2.209 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000264153341 549985609 /nfs/dbraw/zinc/98/56/09/549985609.db2.gz ZWUGRYDQOBQKQZ-IBGZPJMESA-N 1 3 371.529 2.201 20 30 FEEDHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCOCC1 ZINC000267401222 550030993 /nfs/dbraw/zinc/03/09/93/550030993.db2.gz FZZLOUMEDXSKEG-UHFFFAOYSA-N 1 3 350.894 2.199 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272300380 550435745 /nfs/dbraw/zinc/43/57/45/550435745.db2.gz POOYRJOBGWFPSW-NQIIRXRSSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300380 550435747 /nfs/dbraw/zinc/43/57/47/550435747.db2.gz POOYRJOBGWFPSW-NQIIRXRSSA-N 1 3 353.510 2.358 20 30 FEEDHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCCCC#N ZINC000282210549 551196005 /nfs/dbraw/zinc/19/60/05/551196005.db2.gz DJERFSYMIKWWFC-UHFFFAOYSA-N 1 3 374.529 2.493 20 30 FEEDHO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147861 552698443 /nfs/dbraw/zinc/69/84/43/552698443.db2.gz NEANFMYYSNLOKG-RXVVDRJESA-N 1 3 360.498 2.191 20 30 FEEDHO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147861 552698445 /nfs/dbraw/zinc/69/84/45/552698445.db2.gz NEANFMYYSNLOKG-RXVVDRJESA-N 1 3 360.498 2.191 20 30 FEEDHO C#CCN(C)CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000296422192 553157105 /nfs/dbraw/zinc/15/71/05/553157105.db2.gz SESSVAIUBVQIQR-UHFFFAOYSA-N 1 3 362.543 2.214 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298732908 553465422 /nfs/dbraw/zinc/46/54/22/553465422.db2.gz MJBMIVXYLRFZIW-PMACEKPBSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298732908 553465424 /nfs/dbraw/zinc/46/54/24/553465424.db2.gz MJBMIVXYLRFZIW-PMACEKPBSA-N 1 3 369.513 2.258 20 30 FEEDHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000329951636 554037745 /nfs/dbraw/zinc/03/77/45/554037745.db2.gz MOPAHXOGZREYAA-IBGZPJMESA-N 1 3 366.550 2.254 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418300377 559396849 /nfs/dbraw/zinc/39/68/49/559396849.db2.gz VRSRHFPTQNEVMY-UHFFFAOYSA-N 1 3 357.502 2.293 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205356 559975543 /nfs/dbraw/zinc/97/55/43/559975543.db2.gz AONVMDNYVDATFL-QGZVFWFLSA-N 1 3 373.501 2.447 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205356 559975544 /nfs/dbraw/zinc/97/55/44/559975544.db2.gz AONVMDNYVDATFL-QGZVFWFLSA-N 1 3 373.501 2.447 20 30 FEEDHO C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469866534 560967277 /nfs/dbraw/zinc/96/72/77/560967277.db2.gz ZDOSTCSPVXRLPU-ICSRJNTNSA-N 1 3 357.498 2.332 20 30 FEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000472269389 561022479 /nfs/dbraw/zinc/02/24/79/561022479.db2.gz VQMQTMGNXOHQNV-LJQANCHMSA-N 1 3 358.486 2.320 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968584 567889917 /nfs/dbraw/zinc/88/99/17/567889917.db2.gz OVGPMKKISSOSBZ-GIVPXCGWSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968584 567889918 /nfs/dbraw/zinc/88/99/18/567889918.db2.gz OVGPMKKISSOSBZ-GIVPXCGWSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968584 567889919 /nfs/dbraw/zinc/88/99/19/567889919.db2.gz OVGPMKKISSOSBZ-GIVPXCGWSA-N 1 3 371.525 2.415 20 30 FEEDHO CC(C)N1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000872223811 684928991 /nfs/dbraw/zinc/92/89/91/684928991.db2.gz YNRUYFMUMQAUJP-UHFFFAOYSA-N 1 3 363.527 2.432 20 30 FEEDHO CC(C)[NH+]1CCC(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000872223811 684928993 /nfs/dbraw/zinc/92/89/93/684928993.db2.gz YNRUYFMUMQAUJP-UHFFFAOYSA-N 1 3 363.527 2.432 20 30 FEEDHO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(CN3CCCC3)c2)c1C#N ZINC000089676534 325326798 /nfs/dbraw/zinc/32/67/98/325326798.db2.gz PCRVKZAIYCITFK-UHFFFAOYSA-N 1 3 366.469 2.281 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173794009 327284598 /nfs/dbraw/zinc/28/45/98/327284598.db2.gz OZNKSMROTICFMI-IBGZPJMESA-N 1 3 357.502 2.116 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173794009 327284600 /nfs/dbraw/zinc/28/46/00/327284600.db2.gz OZNKSMROTICFMI-IBGZPJMESA-N 1 3 357.502 2.116 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000264104399 549979455 /nfs/dbraw/zinc/97/94/55/549979455.db2.gz PBZZJZVZPBXMOZ-GOSISDBHSA-N 1 3 374.529 2.132 20 30 FEEDHO C[NH+]1CCC([C@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888455 550939719 /nfs/dbraw/zinc/93/97/19/550939719.db2.gz CURCGEKEQYDNQI-VQTJNVASSA-N 1 3 350.466 2.431 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504316258 561656296 /nfs/dbraw/zinc/65/62/96/561656296.db2.gz GBUZVCRBLDHNFP-VQTJNVASSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316258 561656297 /nfs/dbraw/zinc/65/62/97/561656297.db2.gz GBUZVCRBLDHNFP-VQTJNVASSA-N 1 3 369.513 2.258 20 30 FEEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000303255482 553744251 /nfs/dbraw/zinc/74/42/51/553744251.db2.gz GJAUKVUNAZAXGI-UHFFFAOYSA-N 1 3 357.546 2.371 20 30 FEEDHO CCn1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000328606604 553795430 /nfs/dbraw/zinc/79/54/30/553795430.db2.gz KNXFEOKKEQMLBN-UHFFFAOYSA-N 1 3 374.533 2.665 20 30 FEEDHO CN1CCC(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000367616629 556098476 /nfs/dbraw/zinc/09/84/76/556098476.db2.gz LSQGPHJRQJCLNQ-FQEVSTJZSA-N 1 3 367.541 2.285 20 30 FEEDHO C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147555 556793529 /nfs/dbraw/zinc/79/35/29/556793529.db2.gz DNTHEZAFAVRWQC-NQIIRXRSSA-N 1 3 356.514 2.285 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000415597670 559254097 /nfs/dbraw/zinc/25/40/97/559254097.db2.gz JNJPEVFIGUFWDN-KGLIPLIRSA-N 1 3 364.471 2.026 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000415597675 559254099 /nfs/dbraw/zinc/25/40/99/559254099.db2.gz JNJPEVFIGUFWDN-ZIAGYGMSSA-N 1 3 364.471 2.026 20 30 FEEDHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583905 567994080 /nfs/dbraw/zinc/99/40/80/567994080.db2.gz VLVVMYMWWCAFAK-GJZGRUSLSA-N 1 3 356.392 2.445 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F ZINC000134028899 672118485 /nfs/dbraw/zinc/11/84/85/672118485.db2.gz SMANIHLVMICWKB-ZDUSSCGKSA-N 1 3 356.417 2.185 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC000985442696 680449176 /nfs/dbraw/zinc/44/91/76/680449176.db2.gz QKCXSGBSCBLOLY-RDTXWAMCSA-N 1 3 360.527 2.383 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000985442696 680449178 /nfs/dbraw/zinc/44/91/78/680449178.db2.gz QKCXSGBSCBLOLY-RDTXWAMCSA-N 1 3 360.527 2.383 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000876785227 686267943 /nfs/dbraw/zinc/26/79/43/686267943.db2.gz RBCBUUGEBPTPQE-OAHLLOKOSA-N 1 3 351.882 2.020 20 30 FEEDHO CCN(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccsc1 ZINC000884188680 687812211 /nfs/dbraw/zinc/81/22/11/687812211.db2.gz NKGLUTHJPABLFO-VIHIWDAPSA-N 1 3 360.527 2.387 20 30 FEEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000006762057 204267052 /nfs/dbraw/zinc/26/70/52/204267052.db2.gz PPQWWHJRFKQADP-UHFFFAOYSA-N 1 3 356.514 2.474 20 30 FEEDHO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821464 542889057 /nfs/dbraw/zinc/88/90/57/542889057.db2.gz KQDGPXITWIHZFY-INIZCTEOSA-N 1 3 373.501 2.020 20 30 FEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1cc(F)ccc1F ZINC000262335049 549811503 /nfs/dbraw/zinc/81/15/03/549811503.db2.gz ZDJWAKCCEMJIEP-INIZCTEOSA-N 1 3 360.408 2.458 20 30 FEEDHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000281425301 551095817 /nfs/dbraw/zinc/09/58/17/551095817.db2.gz DJLOSTWTEQLFQI-QGZVFWFLSA-N 1 3 359.518 2.362 20 30 FEEDHO CN1CCN(CC2(C)CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000368825936 556423437 /nfs/dbraw/zinc/42/34/37/556423437.db2.gz OXPNNTWXTXVUOS-UHFFFAOYSA-N 1 3 356.514 2.287 20 30 FEEDHO C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147554 556793502 /nfs/dbraw/zinc/79/35/02/556793502.db2.gz DNTHEZAFAVRWQC-GHTZIAJQSA-N 1 3 356.514 2.285 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415603737 559254347 /nfs/dbraw/zinc/25/43/47/559254347.db2.gz UNTAYSXOVVFHRW-WWGRRREGSA-N 1 3 364.471 2.011 20 30 FEEDHO CN(C)C1(CNc2cc(NCC3([NH+](C)C)CC3)cc(C#N)c2[N+](=O)[O-])CC1 ZINC000419012544 559425350 /nfs/dbraw/zinc/42/53/50/559425350.db2.gz WTVAPQFUWZYLOO-UHFFFAOYSA-N 1 3 372.473 2.479 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1 ZINC000303971312 673019323 /nfs/dbraw/zinc/01/93/23/673019323.db2.gz DIPLIWOBULFKDA-ZDUSSCGKSA-N 1 3 369.307 2.346 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876520448 686214334 /nfs/dbraw/zinc/21/43/34/686214334.db2.gz LQCIUVXZJRWCQR-CABCVRRESA-N 1 3 351.834 2.004 20 30 FEEDHO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802834 540415520 /nfs/dbraw/zinc/41/55/20/540415520.db2.gz DIWILVHUDGPEIT-INIZCTEOSA-N 1 3 370.497 2.000 20 30 FEEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000092820948 542888391 /nfs/dbraw/zinc/88/83/91/542888391.db2.gz OZAHKLVNLVTQDZ-OAQYLSRUSA-N 1 3 369.513 2.428 20 30 FEEDHO CCN(CCC#N)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189955513 548315001 /nfs/dbraw/zinc/31/50/01/548315001.db2.gz AWMMNZZDUBSOII-ROUUACIJSA-N 1 3 356.514 2.495 20 30 FEEDHO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000264142241 549984553 /nfs/dbraw/zinc/98/45/53/549984553.db2.gz WWDJXNVECCUMHG-GOSISDBHSA-N 1 3 359.518 2.057 20 30 FEEDHO CC(C)[NH+]1CCN(CCCN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000282624232 551253163 /nfs/dbraw/zinc/25/31/63/551253163.db2.gz JFPHBRUIAMKWJG-UHFFFAOYSA-N 1 3 369.557 2.092 20 30 FEEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285626555 551785174 /nfs/dbraw/zinc/78/51/74/551785174.db2.gz QZQOALGBNNGDPQ-OAQYLSRUSA-N 1 3 354.498 2.347 20 30 FEEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285626555 551785176 /nfs/dbraw/zinc/78/51/76/551785176.db2.gz QZQOALGBNNGDPQ-OAQYLSRUSA-N 1 3 354.498 2.347 20 30 FEEDHO CN(C)CCN1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285834965 551817020 /nfs/dbraw/zinc/81/70/20/551817020.db2.gz XCIDVIFXPGNZBA-UHFFFAOYSA-N 1 3 355.530 2.143 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287844854 552053839 /nfs/dbraw/zinc/05/38/39/552053839.db2.gz VKNFBJBIVRWOKW-IBGZPJMESA-N 1 3 360.502 2.248 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1 ZINC000304743653 553747651 /nfs/dbraw/zinc/74/76/51/553747651.db2.gz DGGXZRLOPODKNK-CQSZACIVSA-N 1 3 362.865 2.279 20 30 FEEDHO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(Cc3cccnc3)CC2)CC1 ZINC000365527490 555599489 /nfs/dbraw/zinc/59/94/89/555599489.db2.gz XXRMCWSHLOETFX-UHFFFAOYSA-N 1 3 356.514 2.450 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711139 556946750 /nfs/dbraw/zinc/94/67/50/556946750.db2.gz WBNLIHNDGOMMPY-UEXGIBASSA-N 1 3 356.514 2.435 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711139 556946753 /nfs/dbraw/zinc/94/67/53/556946753.db2.gz WBNLIHNDGOMMPY-UEXGIBASSA-N 1 3 356.514 2.435 20 30 FEEDHO CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778976 557929995 /nfs/dbraw/zinc/92/99/95/557929995.db2.gz KBPOVMDUFNXWCE-FQEVSTJZSA-N 1 3 355.486 2.038 20 30 FEEDHO C#CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376700718 558210737 /nfs/dbraw/zinc/21/07/37/558210737.db2.gz OCANNLLIXNTEGE-UHFFFAOYSA-N 1 3 368.525 2.390 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418712645 559412044 /nfs/dbraw/zinc/41/20/44/559412044.db2.gz GQKAQESKETVGJW-RBUKOAKNSA-N 1 3 357.502 2.149 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305486 /nfs/dbraw/zinc/30/54/86/560305486.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305487 /nfs/dbraw/zinc/30/54/87/560305487.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305488 /nfs/dbraw/zinc/30/54/88/560305488.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 1 3 360.542 2.241 20 30 FEEDHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305489 /nfs/dbraw/zinc/30/54/89/560305489.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 1 3 360.542 2.241 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968587 567889991 /nfs/dbraw/zinc/88/99/91/567889991.db2.gz OVGPMKKISSOSBZ-NRSPTQNISA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968587 567889992 /nfs/dbraw/zinc/88/99/92/567889992.db2.gz OVGPMKKISSOSBZ-NRSPTQNISA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968587 567889993 /nfs/dbraw/zinc/88/99/93/567889993.db2.gz OVGPMKKISSOSBZ-NRSPTQNISA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945516 675162819 /nfs/dbraw/zinc/16/28/19/675162819.db2.gz IRGRXQMLFIRZMY-QGZVFWFLSA-N 1 3 363.527 2.434 20 30 FEEDHO C[C@@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945516 675162822 /nfs/dbraw/zinc/16/28/22/675162822.db2.gz IRGRXQMLFIRZMY-QGZVFWFLSA-N 1 3 363.527 2.434 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521142 686214782 /nfs/dbraw/zinc/21/47/82/686214782.db2.gz IEYZDVHUCCQBFR-GXTWGEPZSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000106267902 543221859 /nfs/dbraw/zinc/22/18/59/543221859.db2.gz SBJYHBORGDHDOH-UHFFFAOYSA-N 1 3 374.529 2.467 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187455175 548257448 /nfs/dbraw/zinc/25/74/48/548257448.db2.gz PENXIWFGXKGSDV-OAQYLSRUSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455175 548257454 /nfs/dbraw/zinc/25/74/54/548257454.db2.gz PENXIWFGXKGSDV-OAQYLSRUSA-N 1 3 353.510 2.358 20 30 FEEDHO CN(CC[N@H+](C)C1CC1)c1ccc(C#N)c(N(C)CCN(C)C2CC2)n1 ZINC000195280552 548611171 /nfs/dbraw/zinc/61/11/71/548611171.db2.gz GEDFWTUOVGAPOG-UHFFFAOYSA-N 1 3 356.518 2.014 20 30 FEEDHO CN(CC[N@@H+](C)C1CC1)c1ccc(C#N)c(N(C)CCN(C)C2CC2)n1 ZINC000195280552 548611173 /nfs/dbraw/zinc/61/11/73/548611173.db2.gz GEDFWTUOVGAPOG-UHFFFAOYSA-N 1 3 356.518 2.014 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248911691 549526857 /nfs/dbraw/zinc/52/68/57/549526857.db2.gz VMCGXOOGSQPKNF-YLJYHZDGSA-N 1 3 356.514 2.457 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248911691 549526858 /nfs/dbraw/zinc/52/68/58/549526858.db2.gz VMCGXOOGSQPKNF-YLJYHZDGSA-N 1 3 356.514 2.457 20 30 FEEDHO C[NH+]=C(NCc1ccco1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000267325254 550030067 /nfs/dbraw/zinc/03/00/67/550030067.db2.gz PHVMPTRVUIEKFY-UHFFFAOYSA-N 1 3 356.470 2.102 20 30 FEEDHO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272562264 550458217 /nfs/dbraw/zinc/45/82/17/550458217.db2.gz GUMVMTXFDOQYMW-MGVNEBLISA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H](NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562264 550458218 /nfs/dbraw/zinc/45/82/18/550458218.db2.gz GUMVMTXFDOQYMW-MGVNEBLISA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H](NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562264 550458219 /nfs/dbraw/zinc/45/82/19/550458219.db2.gz GUMVMTXFDOQYMW-MGVNEBLISA-N 1 3 368.481 2.013 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000304764031 553747717 /nfs/dbraw/zinc/74/77/17/553747717.db2.gz XLBSTZYYCNFYIL-CQSZACIVSA-N 1 3 362.865 2.279 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1 ZINC000304743651 553747750 /nfs/dbraw/zinc/74/77/50/553747750.db2.gz DGGXZRLOPODKNK-AWEZNQCLSA-N 1 3 362.865 2.279 20 30 FEEDHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)ccn1 ZINC000371510110 557205221 /nfs/dbraw/zinc/20/52/21/557205221.db2.gz RROGVBLZCQENSM-HCXYKTFWSA-N 1 3 358.486 2.351 20 30 FEEDHO C#CCN1CCC(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373418915 557689946 /nfs/dbraw/zinc/68/99/46/557689946.db2.gz SUSIYSVNGPNXMT-UHFFFAOYSA-N 1 3 371.447 2.253 20 30 FEEDHO C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000378371937 558542691 /nfs/dbraw/zinc/54/26/91/558542691.db2.gz SYBJGPIJUAATFG-SFHVURJKSA-N 1 3 356.514 2.427 20 30 FEEDHO C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000378371937 558542693 /nfs/dbraw/zinc/54/26/93/558542693.db2.gz SYBJGPIJUAATFG-SFHVURJKSA-N 1 3 356.514 2.427 20 30 FEEDHO C[C@H]1CN(CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371937 558542695 /nfs/dbraw/zinc/54/26/95/558542695.db2.gz SYBJGPIJUAATFG-SFHVURJKSA-N 1 3 356.514 2.427 20 30 FEEDHO C=CCOc1ccccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414480236 559167816 /nfs/dbraw/zinc/16/78/16/559167816.db2.gz IYJCXYBNDHGKQY-UHFFFAOYSA-N 1 3 359.514 2.138 20 30 FEEDHO CC[NH+]1CCC(N2CCCN(CCOc3ccccc3C#N)CC2)CC1 ZINC000420986094 559517452 /nfs/dbraw/zinc/51/74/52/559517452.db2.gz XSVJXVDNIVYVPJ-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000540789195 562593107 /nfs/dbraw/zinc/59/31/07/562593107.db2.gz RXBLAVGQMBIVMS-UTKZUKDTSA-N 1 3 364.493 2.498 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F ZINC000134028689 672118527 /nfs/dbraw/zinc/11/85/27/672118527.db2.gz SMANIHLVMICWKB-CYBMUJFWSA-N 1 3 356.417 2.185 20 30 FEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCSC(C)(C)C1 ZINC000262052788 672908530 /nfs/dbraw/zinc/90/85/30/672908530.db2.gz ZWAJXOHRQJZWCC-UHFFFAOYSA-N 1 3 354.564 2.034 20 30 FEEDHO COC[C@H](C)NC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304743100 673020199 /nfs/dbraw/zinc/02/01/99/673020199.db2.gz CXCHGJVOXMWYGT-AWEZNQCLSA-N 1 3 352.910 2.491 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000304811699 673020897 /nfs/dbraw/zinc/02/08/97/673020897.db2.gz XLVKFWGSQBRNNW-INIZCTEOSA-N 1 3 352.404 2.446 20 30 FEEDHO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798869 540414579 /nfs/dbraw/zinc/41/45/79/540414579.db2.gz YUGLXWWMAZIWEL-MRXNPFEDSA-N 1 3 370.497 2.000 20 30 FEEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000104191943 543125935 /nfs/dbraw/zinc/12/59/35/543125935.db2.gz UXELJROMSVOOTE-SFHVURJKSA-N 1 3 359.518 2.479 20 30 FEEDHO C=CCN1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000171728405 546221634 /nfs/dbraw/zinc/22/16/34/546221634.db2.gz SVSUKYXIAJOAAA-UHFFFAOYSA-N 1 3 360.502 2.077 20 30 FEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000194051298 548428395 /nfs/dbraw/zinc/42/83/95/548428395.db2.gz SPWRLTDMEZFGTB-UHFFFAOYSA-N 1 3 353.510 2.155 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000195342665 548629020 /nfs/dbraw/zinc/62/90/20/548629020.db2.gz MZNDDDFIQYORGN-UHFFFAOYSA-N 1 3 355.486 2.433 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C(C)C ZINC000262822341 549853455 /nfs/dbraw/zinc/85/34/55/549853455.db2.gz RIAHAAOKGLEPFI-IEBWSBKVSA-N 1 3 359.518 2.236 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000264153343 549985850 /nfs/dbraw/zinc/98/58/50/549985850.db2.gz ZWUGRYDQOBQKQZ-LJQANCHMSA-N 1 3 371.529 2.201 20 30 FEEDHO COc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1C#N ZINC000281640169 551123900 /nfs/dbraw/zinc/12/39/00/551123900.db2.gz IVMONEKGCJKSNR-UHFFFAOYSA-N 1 3 365.481 2.264 20 30 FEEDHO COc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1OCCCC#N ZINC000299452655 553565075 /nfs/dbraw/zinc/56/50/75/553565075.db2.gz RTGPVBDJUGKHKS-UHFFFAOYSA-N 1 3 374.529 2.493 20 30 FEEDHO CCn1nc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000328599584 553794889 /nfs/dbraw/zinc/79/48/89/553794889.db2.gz CFDGHORYLQNYHT-UHFFFAOYSA-N 1 3 362.522 2.404 20 30 FEEDHO C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370695704 556942666 /nfs/dbraw/zinc/94/26/66/556942666.db2.gz CKRJLLVLAFXEOZ-KNQAVFIVSA-N 1 3 369.557 2.494 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602557805 567991405 /nfs/dbraw/zinc/99/14/05/567991405.db2.gz JGANRLKZLFIOJJ-RXVVDRJESA-N 1 3 357.498 2.312 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557805 567991406 /nfs/dbraw/zinc/99/14/06/567991406.db2.gz JGANRLKZLFIOJJ-RXVVDRJESA-N 1 3 357.498 2.312 20 30 FEEDHO C[C@@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543536 671816885 /nfs/dbraw/zinc/81/68/85/671816885.db2.gz HFHOYDHWEOWCSR-QGZVFWFLSA-N 1 3 363.527 2.434 20 30 FEEDHO C[C@@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543536 671816889 /nfs/dbraw/zinc/81/68/89/671816889.db2.gz HFHOYDHWEOWCSR-QGZVFWFLSA-N 1 3 363.527 2.434 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1 ZINC000303975643 673019783 /nfs/dbraw/zinc/01/97/83/673019783.db2.gz JGTBHKQCSFZSNG-CQSZACIVSA-N 1 3 369.307 2.217 20 30 FEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000876782645 686267987 /nfs/dbraw/zinc/26/79/87/686267987.db2.gz YAOPDHSYERPPCC-GOSISDBHSA-N 1 3 364.921 2.175 20 30 FEEDHO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802837 540415228 /nfs/dbraw/zinc/41/52/28/540415228.db2.gz DIWILVHUDGPEIT-MRXNPFEDSA-N 1 3 370.497 2.000 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000189195382 328134352 /nfs/dbraw/zinc/13/43/52/328134352.db2.gz RSGDFYYXXQDERJ-UHFFFAOYSA-N 1 3 366.509 2.265 20 30 FEEDHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000191477846 328267674 /nfs/dbraw/zinc/26/76/74/328267674.db2.gz KGYNOGMGXWHVLK-UHFFFAOYSA-N 1 3 369.557 2.486 20 30 FEEDHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000191477846 328267675 /nfs/dbraw/zinc/26/76/75/328267675.db2.gz KGYNOGMGXWHVLK-UHFFFAOYSA-N 1 3 369.557 2.486 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000186339759 548122140 /nfs/dbraw/zinc/12/21/40/548122140.db2.gz VHEXHODZQATVDC-NRFANRHFSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186339759 548122143 /nfs/dbraw/zinc/12/21/43/548122143.db2.gz VHEXHODZQATVDC-NRFANRHFSA-N 1 3 353.510 2.455 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713199 550000222 /nfs/dbraw/zinc/00/02/22/550000222.db2.gz WHNSZSBEYMCCMY-IBGZPJMESA-N 1 3 372.513 2.006 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713199 550000225 /nfs/dbraw/zinc/00/02/25/550000225.db2.gz WHNSZSBEYMCCMY-IBGZPJMESA-N 1 3 372.513 2.006 20 30 FEEDHO COCC[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278574106 550800530 /nfs/dbraw/zinc/80/05/30/550800530.db2.gz FBULENDQGMQAHC-UHFFFAOYSA-N 1 3 368.485 2.059 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418436139 559401536 /nfs/dbraw/zinc/40/15/36/559401536.db2.gz WTFZBQKYJDKNPU-OALUTQOASA-N 1 3 357.502 2.149 20 30 FEEDHO C=C(C[NH+](C)C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000764538907 680813671 /nfs/dbraw/zinc/81/36/71/680813671.db2.gz NKINEUXEYRIURX-UHFFFAOYSA-N 1 3 365.905 2.417 20 30 FEEDHO CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000912507652 685388754 /nfs/dbraw/zinc/38/87/54/685388754.db2.gz YYFMYIAEMAVILZ-JKSUJKDBSA-N 1 3 364.559 2.488 20 30 FEEDHO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264121759 549981451 /nfs/dbraw/zinc/98/14/51/549981451.db2.gz VGUBMXZQEPVJDZ-CRAIPNDOSA-N 1 3 359.518 2.104 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272716 550029454 /nfs/dbraw/zinc/02/94/54/550029454.db2.gz ARIQPXWYALIDMC-NQIIRXRSSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272716 550029458 /nfs/dbraw/zinc/02/94/58/550029458.db2.gz ARIQPXWYALIDMC-NQIIRXRSSA-N 1 3 353.510 2.358 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000276243921 550577623 /nfs/dbraw/zinc/57/76/23/550577623.db2.gz OPYNXHFSKHAKFG-FHWLQOOXSA-N 1 3 351.535 2.302 20 30 FEEDHO CN1CC=C(CNc2nc(NCC3=CC[N@H+](C)CC3)ccc2C#N)CC1 ZINC000278192538 550759284 /nfs/dbraw/zinc/75/92/84/550759284.db2.gz DQFASNIBQVXRHH-UHFFFAOYSA-N 1 3 352.486 2.301 20 30 FEEDHO CN1CC=C(CNc2nc(NCC3=CC[N@@H+](C)CC3)ccc2C#N)CC1 ZINC000278192538 550759286 /nfs/dbraw/zinc/75/92/86/550759286.db2.gz DQFASNIBQVXRHH-UHFFFAOYSA-N 1 3 352.486 2.301 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294542444 552914465 /nfs/dbraw/zinc/91/44/65/552914465.db2.gz UCNOLOOACPWIRM-IBGZPJMESA-N 1 3 359.539 2.473 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298732917 553465688 /nfs/dbraw/zinc/46/56/88/553465688.db2.gz MJBMIVXYLRFZIW-UXHICEINSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298732917 553465689 /nfs/dbraw/zinc/46/56/89/553465689.db2.gz MJBMIVXYLRFZIW-UXHICEINSA-N 1 3 369.513 2.258 20 30 FEEDHO COc1cccc(NC(=[NH2+])NCC2(N3CCCCC3)CCN(C)CC2)c1 ZINC000304784799 553747487 /nfs/dbraw/zinc/74/74/87/553747487.db2.gz HRTRWGLCILZRCH-UHFFFAOYSA-N 1 3 359.518 2.372 20 30 FEEDHO C[N@H+](C[C@@H]1CC12CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618189 554975806 /nfs/dbraw/zinc/97/58/06/554975806.db2.gz WYQOMWDITWQBCJ-AZUAARDMSA-N 1 3 369.509 2.494 20 30 FEEDHO C[N@@H+](C[C@@H]1CC12CCN(C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618189 554975807 /nfs/dbraw/zinc/97/58/07/554975807.db2.gz WYQOMWDITWQBCJ-AZUAARDMSA-N 1 3 369.509 2.494 20 30 FEEDHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000367616630 556098658 /nfs/dbraw/zinc/09/86/58/556098658.db2.gz LSQGPHJRQJCLNQ-HXUWFJFHSA-N 1 3 367.541 2.285 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415601633 559254289 /nfs/dbraw/zinc/25/42/89/559254289.db2.gz PXJSYYAVUNUYPY-MGPQQGTHSA-N 1 3 364.471 2.011 20 30 FEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451677548 560321612 /nfs/dbraw/zinc/32/16/12/560321612.db2.gz UYHPKZOAHWNBNB-RTWAWAEBSA-N 1 3 371.525 2.353 20 30 FEEDHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000466033205 560878444 /nfs/dbraw/zinc/87/84/44/560878444.db2.gz BKNWBBRXQYPNDZ-VQIMIIECSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033205 560878445 /nfs/dbraw/zinc/87/84/45/560878445.db2.gz BKNWBBRXQYPNDZ-VQIMIIECSA-N 1 3 357.502 2.114 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008522 562641882 /nfs/dbraw/zinc/64/18/82/562641882.db2.gz BPJGWIVRSJZBNL-IBGZPJMESA-N 1 3 371.529 2.112 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008522 562641883 /nfs/dbraw/zinc/64/18/83/562641883.db2.gz BPJGWIVRSJZBNL-IBGZPJMESA-N 1 3 371.529 2.112 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F ZINC000262006410 672907438 /nfs/dbraw/zinc/90/74/38/672907438.db2.gz RQOFFUIDNXGYET-CYBMUJFWSA-N 1 3 357.271 2.477 20 30 FEEDHO CN(C)CC[NH+]1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921519207 683491318 /nfs/dbraw/zinc/49/13/18/683491318.db2.gz BQITVMPCZKUAIB-UHFFFAOYSA-N 1 3 365.319 2.436 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876520176 686213946 /nfs/dbraw/zinc/21/39/46/686213946.db2.gz RSKWHBGOWAJWRL-HNNXBMFYSA-N 1 3 351.834 2.004 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000057126729 540770909 /nfs/dbraw/zinc/77/09/09/540770909.db2.gz NNPFOLANTRASNN-NRFANRHFSA-N 1 3 369.509 2.294 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1 ZINC000081525022 542663509 /nfs/dbraw/zinc/66/35/09/542663509.db2.gz OMUXIYUWGWUFCU-GOSISDBHSA-N 1 3 354.502 2.014 20 30 FEEDHO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821465 542889095 /nfs/dbraw/zinc/88/90/95/542889095.db2.gz KQDGPXITWIHZFY-MRXNPFEDSA-N 1 3 373.501 2.020 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000104177151 543125425 /nfs/dbraw/zinc/12/54/25/543125425.db2.gz PVRUKUVPZMTWLC-GOSISDBHSA-N 1 3 372.517 2.203 20 30 FEEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCNC(=O)C1N=CC=CC1=O ZINC000177559844 546643900 /nfs/dbraw/zinc/64/39/00/546643900.db2.gz KMSRCAQMQAKBNS-VXPUYCOJSA-N 1 3 370.497 2.261 20 30 FEEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCNC(=O)C1N=CC=CC1=O ZINC000177559844 546643908 /nfs/dbraw/zinc/64/39/08/546643908.db2.gz KMSRCAQMQAKBNS-VXPUYCOJSA-N 1 3 370.497 2.261 20 30 FEEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000179183977 546911207 /nfs/dbraw/zinc/91/12/07/546911207.db2.gz MKZLGNLLZFEOBM-UHFFFAOYSA-N 1 3 371.525 2.271 20 30 FEEDHO CCN1CCN([C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181500202 547324875 /nfs/dbraw/zinc/32/48/75/547324875.db2.gz VDWKESQUMRALEI-LJQANCHMSA-N 1 3 369.557 2.138 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C(C)C ZINC000262822339 549853289 /nfs/dbraw/zinc/85/32/89/549853289.db2.gz RIAHAAOKGLEPFI-HKUYNNGSSA-N 1 3 359.518 2.236 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273323172 550494369 /nfs/dbraw/zinc/49/43/69/550494369.db2.gz GTTBKPXBYFIJQO-INIZCTEOSA-N 1 3 374.464 2.197 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000279443870 550890975 /nfs/dbraw/zinc/89/09/75/550890975.db2.gz BKOSMFLUKCNVII-FPOVZHCZSA-N 1 3 351.494 2.475 20 30 FEEDHO C#CCN1CCC(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000279443870 550890977 /nfs/dbraw/zinc/89/09/77/550890977.db2.gz BKOSMFLUKCNVII-FPOVZHCZSA-N 1 3 351.494 2.475 20 30 FEEDHO C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368050181 556204537 /nfs/dbraw/zinc/20/45/37/556204537.db2.gz DEHNLCVKKYLXGG-ICSRJNTNSA-N 1 3 356.514 2.437 20 30 FEEDHO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000369278148 556561898 /nfs/dbraw/zinc/56/18/98/556561898.db2.gz PSUGFZIUOPOWHP-IBGZPJMESA-N 1 3 355.530 2.295 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711138 556946641 /nfs/dbraw/zinc/94/66/41/556946641.db2.gz WBNLIHNDGOMMPY-OPYAIIAOSA-N 1 3 356.514 2.435 20 30 FEEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711138 556946645 /nfs/dbraw/zinc/94/66/45/556946645.db2.gz WBNLIHNDGOMMPY-OPYAIIAOSA-N 1 3 356.514 2.435 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000376223995 558143998 /nfs/dbraw/zinc/14/39/98/558143998.db2.gz DKMHCZSEIRRKJD-IBGZPJMESA-N 1 3 371.529 2.243 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415601634 559254209 /nfs/dbraw/zinc/25/42/09/559254209.db2.gz PXJSYYAVUNUYPY-RDBSUJKOSA-N 1 3 364.471 2.011 20 30 FEEDHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000466033204 560878521 /nfs/dbraw/zinc/87/85/21/560878521.db2.gz BKNWBBRXQYPNDZ-QFBILLFUSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033204 560878522 /nfs/dbraw/zinc/87/85/22/560878522.db2.gz BKNWBBRXQYPNDZ-QFBILLFUSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595821 567999439 /nfs/dbraw/zinc/99/94/39/567999439.db2.gz DDBRPCXCKLXLEI-PXNSSMCTSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000602595821 567999440 /nfs/dbraw/zinc/99/94/40/567999440.db2.gz DDBRPCXCKLXLEI-PXNSSMCTSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000602595821 567999442 /nfs/dbraw/zinc/99/94/42/567999442.db2.gz DDBRPCXCKLXLEI-PXNSSMCTSA-N 1 3 357.498 2.442 20 30 FEEDHO C=C(Br)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847393821 681373089 /nfs/dbraw/zinc/37/30/89/681373089.db2.gz ILWXTZPLHCMWID-UHFFFAOYSA-N 1 3 358.324 2.208 20 30 FEEDHO CCN(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccsc1 ZINC000884188681 687812226 /nfs/dbraw/zinc/81/22/26/687812226.db2.gz NKGLUTHJPABLFO-VZDIDWBNSA-N 1 3 360.527 2.387 20 30 FEEDHO CCN(CCC#N)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820901 542888379 /nfs/dbraw/zinc/88/83/79/542888379.db2.gz ZBBZNEBSVNCIOP-UHFFFAOYSA-N 1 3 357.502 2.382 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124467698 543823679 /nfs/dbraw/zinc/82/36/79/543823679.db2.gz VMCGXOOGSQPKNF-PXNSSMCTSA-N 1 3 356.514 2.457 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124467698 543823681 /nfs/dbraw/zinc/82/36/81/543823681.db2.gz VMCGXOOGSQPKNF-PXNSSMCTSA-N 1 3 356.514 2.457 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131785333 544206920 /nfs/dbraw/zinc/20/69/20/544206920.db2.gz PCAVEAPZMFUTDJ-QUCCMNQESA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785333 544206923 /nfs/dbraw/zinc/20/69/23/544206923.db2.gz PCAVEAPZMFUTDJ-QUCCMNQESA-N 1 3 353.510 2.358 20 30 FEEDHO Cn1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C#N ZINC000191121544 328250799 /nfs/dbraw/zinc/25/07/99/328250799.db2.gz XECJFGQEVUNMBW-UHFFFAOYSA-N 1 3 365.481 2.012 20 30 FEEDHO COc1ccccc1CNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000170911360 546182030 /nfs/dbraw/zinc/18/20/30/546182030.db2.gz NIRPAVCRORUDCB-UHFFFAOYSA-N 1 3 356.470 2.240 20 30 FEEDHO NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1 ZINC000267467615 550032364 /nfs/dbraw/zinc/03/23/64/550032364.db2.gz WWOKGIGQPJULSC-GOSISDBHSA-N 1 3 365.481 2.311 20 30 FEEDHO COc1ccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000273017215 550480934 /nfs/dbraw/zinc/48/09/34/550480934.db2.gz WKTCPUJWYQXXRO-SFHVURJKSA-N 1 3 354.454 2.189 20 30 FEEDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(N(C)CCC#N)cc1 ZINC000289404905 552316044 /nfs/dbraw/zinc/31/60/44/552316044.db2.gz HAVZHVYNWUHRGI-UHFFFAOYSA-N 1 3 357.546 2.494 20 30 FEEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(N(C)CCC#N)cc1 ZINC000289404905 552316046 /nfs/dbraw/zinc/31/60/46/552316046.db2.gz HAVZHVYNWUHRGI-UHFFFAOYSA-N 1 3 357.546 2.494 20 30 FEEDHO CCOCCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000304757421 553747431 /nfs/dbraw/zinc/74/74/31/553747431.db2.gz OVPITPQJGBGKJG-MJGOQNOKSA-N 1 3 362.518 2.409 20 30 FEEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(C#N)CCC1 ZINC000527128593 562277264 /nfs/dbraw/zinc/27/72/64/562277264.db2.gz CVCYMSBQEWFWCC-UHFFFAOYSA-N 1 3 355.486 2.182 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C(C)C ZINC000423323680 559625474 /nfs/dbraw/zinc/62/54/74/559625474.db2.gz AKVOYMCIRMLFLZ-FUHWJXTLSA-N 1 3 359.518 2.305 20 30 FEEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652304 674963365 /nfs/dbraw/zinc/96/33/65/674963365.db2.gz XGFQPSSZKNGINP-KRWDZBQOSA-N 1 3 365.543 2.323 20 30 FEEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652304 674963369 /nfs/dbraw/zinc/96/33/69/674963369.db2.gz XGFQPSSZKNGINP-KRWDZBQOSA-N 1 3 365.543 2.323 20 30 FEEDHO C#CCOc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000817971602 675188487 /nfs/dbraw/zinc/18/84/87/675188487.db2.gz FVQVRCXOFVLPEM-WMLDXEAASA-N 1 3 355.404 2.185 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000303904462 673019295 /nfs/dbraw/zinc/01/92/95/673019295.db2.gz YTZOYXXZXAYDAY-AWEZNQCLSA-N 1 3 357.271 2.477 20 30 FEEDHO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000838622636 680706524 /nfs/dbraw/zinc/70/65/24/680706524.db2.gz WWSMHRZLIWKDEU-KRWDZBQOSA-N 1 3 350.894 2.197 20 30 FEEDHO C#CC[N@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000838622636 680706525 /nfs/dbraw/zinc/70/65/25/680706525.db2.gz WWSMHRZLIWKDEU-KRWDZBQOSA-N 1 3 350.894 2.197 20 30 FEEDHO C[N@@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576337 686861410 /nfs/dbraw/zinc/86/14/10/686861410.db2.gz BLYQCJFVIFVDDR-FMKPAKJESA-N 1 3 354.479 2.499 20 30 FEEDHO C[N@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576337 686861420 /nfs/dbraw/zinc/86/14/20/686861420.db2.gz BLYQCJFVIFVDDR-FMKPAKJESA-N 1 3 354.479 2.499 20 30 FEEDHO C=CCN1CCC(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)CC1 ZINC000074132390 542040976 /nfs/dbraw/zinc/04/09/76/542040976.db2.gz LRWCNFIEDBGJFR-UHFFFAOYSA-N 1 3 366.550 2.169 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550065 542526252 /nfs/dbraw/zinc/52/62/52/542526252.db2.gz MJBMIVXYLRFZIW-WOJBJXKFSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550065 542526255 /nfs/dbraw/zinc/52/62/55/542526255.db2.gz MJBMIVXYLRFZIW-WOJBJXKFSA-N 1 3 369.513 2.258 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1 ZINC000081525249 542663401 /nfs/dbraw/zinc/66/34/01/542663401.db2.gz FUNQDVWHIMEZIQ-LJQANCHMSA-N 1 3 368.529 2.405 20 30 FEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194149102 548440707 /nfs/dbraw/zinc/44/07/07/548440707.db2.gz ZQBOSPZMFVECNH-LJQANCHMSA-N 1 3 356.514 2.458 20 30 FEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194149102 548440708 /nfs/dbraw/zinc/44/07/08/548440708.db2.gz ZQBOSPZMFVECNH-LJQANCHMSA-N 1 3 356.514 2.458 20 30 FEEDHO Cc1cc(COCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)on1 ZINC000328762839 553818813 /nfs/dbraw/zinc/81/88/13/553818813.db2.gz ZALNKSJJVXVNML-UHFFFAOYSA-N 1 3 350.463 2.015 20 30 FEEDHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+]1CCCCCC1 ZINC000329172505 553895121 /nfs/dbraw/zinc/89/51/21/553895121.db2.gz AGHDRBOJLNWFBE-CSNJMZFVSA-N 1 3 364.534 2.291 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076812 561783926 /nfs/dbraw/zinc/78/39/26/561783926.db2.gz HESKMEGBWBIWTF-KRWDZBQOSA-N 1 3 360.477 2.114 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076812 561783927 /nfs/dbraw/zinc/78/39/27/561783927.db2.gz HESKMEGBWBIWTF-KRWDZBQOSA-N 1 3 360.477 2.114 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418743426 559413410 /nfs/dbraw/zinc/41/34/10/559413410.db2.gz ATBVXVPFEQAAJN-IBGZPJMESA-N 1 3 357.502 2.164 20 30 FEEDHO C=C[C@@H]1OCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451606204 560317234 /nfs/dbraw/zinc/31/72/34/560317234.db2.gz MMQMHLVJVFCIBJ-UXHICEINSA-N 1 3 357.498 2.009 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000602534375 567992069 /nfs/dbraw/zinc/99/20/69/567992069.db2.gz RGPNYVGJZULCCT-IBGZPJMESA-N 1 3 371.529 2.282 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595822 567999554 /nfs/dbraw/zinc/99/95/54/567999554.db2.gz DDBRPCXCKLXLEI-XLIONFOSSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000602595822 567999555 /nfs/dbraw/zinc/99/95/55/567999555.db2.gz DDBRPCXCKLXLEI-XLIONFOSSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000602595822 567999556 /nfs/dbraw/zinc/99/95/56/567999556.db2.gz DDBRPCXCKLXLEI-XLIONFOSSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000602709269 568018644 /nfs/dbraw/zinc/01/86/44/568018644.db2.gz JCWHBMPMHQJUNF-PXNSSMCTSA-N 1 3 357.498 2.442 20 30 FEEDHO C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262489985 672917104 /nfs/dbraw/zinc/91/71/04/672917104.db2.gz UPVBVXAMYNKLIP-DLBZAZTESA-N 1 3 363.575 2.486 20 30 FEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000998786686 680388952 /nfs/dbraw/zinc/38/89/52/680388952.db2.gz XQCHSVVQBMHYMK-HIEASXQVSA-N 1 3 369.937 2.065 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000876707573 686249023 /nfs/dbraw/zinc/24/90/23/686249023.db2.gz KIIJFLGCIAKFTG-MRXNPFEDSA-N 1 3 366.893 2.167 20 30 FEEDHO C[NH+](C)[C@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722802 686253521 /nfs/dbraw/zinc/25/35/21/686253521.db2.gz FMUMMHRKVPKYAC-QZTJIDSGSA-N 1 3 354.479 2.226 20 30 FEEDHO C[N@@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576339 686861218 /nfs/dbraw/zinc/86/12/18/686861218.db2.gz BLYQCJFVIFVDDR-IJEWVQPXSA-N 1 3 354.479 2.499 20 30 FEEDHO C[N@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576339 686861226 /nfs/dbraw/zinc/86/12/26/686861226.db2.gz BLYQCJFVIFVDDR-IJEWVQPXSA-N 1 3 354.479 2.499 20 30 FEEDHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000080051234 542559719 /nfs/dbraw/zinc/55/97/19/542559719.db2.gz PQZOPCCVXBEZCN-SFHVURJKSA-N 1 3 371.529 2.363 20 30 FEEDHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000080051238 542559766 /nfs/dbraw/zinc/55/97/66/542559766.db2.gz PQZOPCCVXBEZCN-GOSISDBHSA-N 1 3 371.529 2.363 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080572478 542595304 /nfs/dbraw/zinc/59/53/04/542595304.db2.gz YRNKDDGTBAJJJL-UXHICEINSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080572478 542595308 /nfs/dbraw/zinc/59/53/08/542595308.db2.gz YRNKDDGTBAJJJL-UXHICEINSA-N 1 3 354.498 2.323 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000129172535 544094991 /nfs/dbraw/zinc/09/49/91/544094991.db2.gz AEZWKCNHKLAPHS-QZTJIDSGSA-N 1 3 360.502 2.051 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079458602 325091497 /nfs/dbraw/zinc/09/14/97/325091497.db2.gz JZUDJTIKGUQEOC-IBGZPJMESA-N 1 3 369.513 2.116 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079458602 325091499 /nfs/dbraw/zinc/09/14/99/325091499.db2.gz JZUDJTIKGUQEOC-IBGZPJMESA-N 1 3 369.513 2.116 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120092524 326229972 /nfs/dbraw/zinc/22/99/72/326229972.db2.gz GRBDQLODZDSNEP-UHFFFAOYSA-N 1 3 359.449 2.377 20 30 FEEDHO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000264085092 549977201 /nfs/dbraw/zinc/97/72/01/549977201.db2.gz IZBMIAYSUZDJFD-ZDUSSCGKSA-N 1 3 373.423 2.195 20 30 FEEDHO CCOCCOCc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264124051 549982197 /nfs/dbraw/zinc/98/21/97/549982197.db2.gz VXYNCZBALQXQIO-LJQANCHMSA-N 1 3 362.518 2.128 20 30 FEEDHO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000264142244 549984529 /nfs/dbraw/zinc/98/45/29/549984529.db2.gz WWDJXNVECCUMHG-SFHVURJKSA-N 1 3 359.518 2.057 20 30 FEEDHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888460 550939847 /nfs/dbraw/zinc/93/98/47/550939847.db2.gz CURCGEKEQYDNQI-WOJBJXKFSA-N 1 3 350.466 2.431 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296749353 553206733 /nfs/dbraw/zinc/20/67/33/553206733.db2.gz DZIAMMVOJSXXNC-UHFFFAOYSA-N 1 3 371.529 2.285 20 30 FEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000518496330 562112942 /nfs/dbraw/zinc/11/29/42/562112942.db2.gz VGYMGUUADKXJSX-LJQANCHMSA-N 1 3 356.514 2.450 20 30 FEEDHO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375459709 558030915 /nfs/dbraw/zinc/03/09/15/558030915.db2.gz LMLANGCEKKXEGM-KBAYOESNSA-N 1 3 358.486 2.059 20 30 FEEDHO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420645071 559495051 /nfs/dbraw/zinc/49/50/51/559495051.db2.gz ZWQMRLBMNLEGMG-MSOLQXFVSA-N 1 3 356.518 2.014 20 30 FEEDHO CN(C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420645071 559495052 /nfs/dbraw/zinc/49/50/52/559495052.db2.gz ZWQMRLBMNLEGMG-MSOLQXFVSA-N 1 3 356.518 2.014 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000437986889 559972634 /nfs/dbraw/zinc/97/26/34/559972634.db2.gz NSQZRUYYKONAFN-FHWLQOOXSA-N 1 3 366.550 2.025 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000437986889 559972635 /nfs/dbraw/zinc/97/26/35/559972635.db2.gz NSQZRUYYKONAFN-FHWLQOOXSA-N 1 3 366.550 2.025 20 30 FEEDHO C=CCOc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469850056 560966770 /nfs/dbraw/zinc/96/67/70/560966770.db2.gz GMQNBVVQIODGPG-UYAOXDASSA-N 1 3 357.498 2.332 20 30 FEEDHO C=CCOc1ccccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469867387 560967404 /nfs/dbraw/zinc/96/74/04/560967404.db2.gz VQCYFDUDDPJNDL-PKOBYXMFSA-N 1 3 357.498 2.332 20 30 FEEDHO C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469866532 560967436 /nfs/dbraw/zinc/96/74/36/560967436.db2.gz ZDOSTCSPVXRLPU-AZUAARDMSA-N 1 3 357.498 2.332 20 30 FEEDHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000472269426 561022448 /nfs/dbraw/zinc/02/24/48/561022448.db2.gz WCABNUJHSOKOIN-INIZCTEOSA-N 1 3 364.515 2.381 20 30 FEEDHO C[NH+](C)CCCC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528433509 562329206 /nfs/dbraw/zinc/32/92/06/562329206.db2.gz ROHKERCJEJEYOB-UHFFFAOYSA-N 1 3 367.493 2.340 20 30 FEEDHO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000086741124 670684645 /nfs/dbraw/zinc/68/46/45/670684645.db2.gz IOEHXGRHOJHGIR-INIZCTEOSA-N 1 3 354.564 2.034 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1 ZINC000304771927 673020613 /nfs/dbraw/zinc/02/06/13/673020613.db2.gz AKCSPMPHDIQFRQ-OAHLLOKOSA-N 1 3 363.472 2.039 20 30 FEEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000076324745 542260464 /nfs/dbraw/zinc/26/04/64/542260464.db2.gz JRIOZTFQQZDPAR-UHFFFAOYSA-N 1 3 356.514 2.474 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246814228 549219220 /nfs/dbraw/zinc/21/92/20/549219220.db2.gz BQHRZZPTDXAIGO-FXAWDEMLSA-N 1 3 371.529 2.242 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246814228 549219224 /nfs/dbraw/zinc/21/92/24/549219224.db2.gz BQHRZZPTDXAIGO-FXAWDEMLSA-N 1 3 371.529 2.242 20 30 FEEDHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)ccn1 ZINC000371510112 557205192 /nfs/dbraw/zinc/20/51/92/557205192.db2.gz RROGVBLZCQENSM-MKXGPGLRSA-N 1 3 358.486 2.351 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418636387 559408928 /nfs/dbraw/zinc/40/89/28/559408928.db2.gz IFXKFOWDIQGQMJ-LJQANCHMSA-N 1 3 371.529 2.410 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000423323679 559625554 /nfs/dbraw/zinc/62/55/54/559625554.db2.gz AKVOYMCIRMLFLZ-AEFFLSMTSA-N 1 3 359.518 2.305 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCCN(C)[C@H]3C)n2)CCC[N@@H+]1C ZINC000436354611 559940467 /nfs/dbraw/zinc/94/04/67/559940467.db2.gz CBPGUBDJAMBLQO-CYGHRXIMSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCCN(C)[C@H]3C)n2)CCC[N@H+]1C ZINC000436354611 559940468 /nfs/dbraw/zinc/94/04/68/559940468.db2.gz CBPGUBDJAMBLQO-CYGHRXIMSA-N 1 3 356.518 2.742 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000437986891 559972660 /nfs/dbraw/zinc/97/26/60/559972660.db2.gz NSQZRUYYKONAFN-QRVBRYPASA-N 1 3 366.550 2.025 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000437986891 559972661 /nfs/dbraw/zinc/97/26/61/559972661.db2.gz NSQZRUYYKONAFN-QRVBRYPASA-N 1 3 366.550 2.025 20 30 FEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000472269427 561022556 /nfs/dbraw/zinc/02/25/56/561022556.db2.gz WCABNUJHSOKOIN-MRXNPFEDSA-N 1 3 364.515 2.381 20 30 FEEDHO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](N2CCCCC2)C1 ZINC000262767485 672920517 /nfs/dbraw/zinc/92/05/17/672920517.db2.gz HUPCHLALONROEH-HBFSDRIKSA-N 1 3 350.551 2.453 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000876766464 686264217 /nfs/dbraw/zinc/26/42/17/686264217.db2.gz KSMUZCMMFSLQTH-NVXWUHKLSA-N 1 3 365.905 2.473 20 30 FEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000057172923 540775616 /nfs/dbraw/zinc/77/56/16/540775616.db2.gz NDUVVASPVMUBRY-UHFFFAOYSA-N 1 3 353.510 2.421 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476676 550276165 /nfs/dbraw/zinc/27/61/65/550276165.db2.gz IRPAJQBVXZZFOL-IBGZPJMESA-N 1 3 372.513 2.006 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476676 550276166 /nfs/dbraw/zinc/27/61/66/550276166.db2.gz IRPAJQBVXZZFOL-IBGZPJMESA-N 1 3 372.513 2.006 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130219 561926368 /nfs/dbraw/zinc/92/63/68/561926368.db2.gz RPUFCDXIRWQWFP-QGZVFWFLSA-N 1 3 351.539 2.374 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130219 561926369 /nfs/dbraw/zinc/92/63/69/561926369.db2.gz RPUFCDXIRWQWFP-QGZVFWFLSA-N 1 3 351.539 2.374 20 30 FEEDHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)ccn1 ZINC000371510111 557205411 /nfs/dbraw/zinc/20/54/11/557205411.db2.gz RROGVBLZCQENSM-MANSERQUSA-N 1 3 358.486 2.351 20 30 FEEDHO CN(CCCOc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373219740 557652097 /nfs/dbraw/zinc/65/20/97/557652097.db2.gz VOTRJQCQUXSZEG-HXUWFJFHSA-N 1 3 356.514 2.427 20 30 FEEDHO CN(CCCOc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373219740 557652100 /nfs/dbraw/zinc/65/21/00/557652100.db2.gz VOTRJQCQUXSZEG-HXUWFJFHSA-N 1 3 356.514 2.427 20 30 FEEDHO N#CCCn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 ZINC000433335265 559877303 /nfs/dbraw/zinc/87/73/03/559877303.db2.gz KYUCSOVTQMUOBQ-MRXNPFEDSA-N 1 3 350.470 2.433 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000602535128 567992174 /nfs/dbraw/zinc/99/21/74/567992174.db2.gz NSSBLFRTLORGPW-KRWDZBQOSA-N 1 3 372.513 2.167 20 30 FEEDHO CCCN(CCNC(=[NH2+])NC[C@H]1CCCN1CC)C(=O)OC(C)(C)C ZINC000305269408 673021494 /nfs/dbraw/zinc/02/14/94/673021494.db2.gz SFZOUXBDOGRLDP-OAHLLOKOSA-N 1 3 355.527 2.022 20 30 FEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801661 683505899 /nfs/dbraw/zinc/50/58/99/683505899.db2.gz BFLKWIOFOCOHOC-OAHLLOKOSA-N 1 3 360.424 2.143 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876520454 686214151 /nfs/dbraw/zinc/21/41/51/686214151.db2.gz LQCIUVXZJRWCQR-LSDHHAIUSA-N 1 3 351.834 2.004 20 30 FEEDHO C[NH+](C)CC1CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001165041929 721950688 /nfs/dbraw/zinc/95/06/88/721950688.db2.gz CGXIPLKXEPLZLY-OAHLLOKOSA-N 1 3 359.474 2.203 20 30 FEEDHO CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758653 540442668 /nfs/dbraw/zinc/44/26/68/540442668.db2.gz RNAFRHFYLLEDBB-UHFFFAOYSA-N 1 3 369.513 2.258 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1 ZINC000081525031 542663476 /nfs/dbraw/zinc/66/34/76/542663476.db2.gz OMUXIYUWGWUFCU-SFHVURJKSA-N 1 3 354.502 2.014 20 30 FEEDHO C[C@H](C(=O)N(C)CCC#N)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821448 542888914 /nfs/dbraw/zinc/88/89/14/542888914.db2.gz KGLGFDKXBNWENX-QGZVFWFLSA-N 1 3 357.502 2.380 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)CC1 ZINC000103077359 543091290 /nfs/dbraw/zinc/09/12/90/543091290.db2.gz DVEZMHNNVGXJTP-UHFFFAOYSA-N 1 3 372.538 2.325 20 30 FEEDHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272214537 329760371 /nfs/dbraw/zinc/76/03/71/329760371.db2.gz CTDXJQZFDJXGFX-UHFFFAOYSA-N 1 3 367.497 2.284 20 30 FEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194149084 548440513 /nfs/dbraw/zinc/44/05/13/548440513.db2.gz ZQBOSPZMFVECNH-IBGZPJMESA-N 1 3 356.514 2.458 20 30 FEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194149084 548440517 /nfs/dbraw/zinc/44/05/17/548440517.db2.gz ZQBOSPZMFVECNH-IBGZPJMESA-N 1 3 356.514 2.458 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000297514480 553302573 /nfs/dbraw/zinc/30/25/73/553302573.db2.gz PLCXCXGOVASATM-FQEVSTJZSA-N 1 3 371.529 2.033 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000297514480 553302575 /nfs/dbraw/zinc/30/25/75/553302575.db2.gz PLCXCXGOVASATM-FQEVSTJZSA-N 1 3 371.529 2.033 20 30 FEEDHO N#Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312626587 553756626 /nfs/dbraw/zinc/75/66/26/553756626.db2.gz IDVSWESSAIDIGI-LEWJYISDSA-N 1 3 365.477 2.410 20 30 FEEDHO N#Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626587 553756627 /nfs/dbraw/zinc/75/66/27/553756627.db2.gz IDVSWESSAIDIGI-LEWJYISDSA-N 1 3 365.477 2.410 20 30 FEEDHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329284062 553917970 /nfs/dbraw/zinc/91/79/70/553917970.db2.gz FXWQDLPNOKGULD-GOSISDBHSA-N 1 3 371.529 2.171 20 30 FEEDHO CC(C)[C@](C)(C#N)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886881 556165526 /nfs/dbraw/zinc/16/55/26/556165526.db2.gz RIQUIVNFFRTFDU-FQEVSTJZSA-N 1 3 357.502 2.284 20 30 FEEDHO C=CCN1CCC(NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000369073760 556497651 /nfs/dbraw/zinc/49/76/51/556497651.db2.gz JGLPRNWHYLGUHM-UHFFFAOYSA-N 1 3 357.502 2.342 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CC1 ZINC000369909811 556727743 /nfs/dbraw/zinc/72/77/43/556727743.db2.gz RIUZNKMNGYCFEQ-UHFFFAOYSA-N 1 3 369.509 2.099 20 30 FEEDHO C#CCN1CCC(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CC1 ZINC000369909811 556727747 /nfs/dbraw/zinc/72/77/47/556727747.db2.gz RIUZNKMNGYCFEQ-UHFFFAOYSA-N 1 3 369.509 2.099 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418512150 559404422 /nfs/dbraw/zinc/40/44/22/559404422.db2.gz DRMDMSNXQNOTHH-UHFFFAOYSA-N 1 3 357.502 2.021 20 30 FEEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971642 560995553 /nfs/dbraw/zinc/99/55/53/560995553.db2.gz XVHMYLVVQCXGMW-VQTJNVASSA-N 1 3 368.481 2.200 20 30 FEEDHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000817971652 675188213 /nfs/dbraw/zinc/18/82/13/675188213.db2.gz FZVJTLYLYLAIAR-XJKSGUPXSA-N 1 3 356.392 2.076 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751728 673020298 /nfs/dbraw/zinc/02/02/98/673020298.db2.gz JQCLKBPWRXAXEG-ZDUSSCGKSA-N 1 3 358.408 2.473 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000876722048 686252719 /nfs/dbraw/zinc/25/27/19/686252719.db2.gz ZUOLMZYJIVWSOY-INIZCTEOSA-N 1 3 366.893 2.167 20 30 FEEDHO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CCN(C)CC1 ZINC000160679837 546062785 /nfs/dbraw/zinc/06/27/85/546062785.db2.gz CFZNFUJFZFFXHU-CYBMUJFWSA-N 1 3 373.423 2.195 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195355367 548630055 /nfs/dbraw/zinc/63/00/55/548630055.db2.gz HWIJWNBMKKUPJS-UHFFFAOYSA-N 1 3 354.498 2.323 20 30 FEEDHO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264121765 549981365 /nfs/dbraw/zinc/98/13/65/549981365.db2.gz VGUBMXZQEPVJDZ-MAUKXSAKSA-N 1 3 359.518 2.104 20 30 FEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000265082433 550005834 /nfs/dbraw/zinc/00/58/34/550005834.db2.gz KFCRFGLUXPKTRC-SFHVURJKSA-N 1 3 366.550 2.095 20 30 FEEDHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1 ZINC000267393862 550030517 /nfs/dbraw/zinc/03/05/17/550030517.db2.gz DNNHIMCCWPWMTM-SFHVURJKSA-N 1 3 371.529 2.121 20 30 FEEDHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888450 550939722 /nfs/dbraw/zinc/93/97/22/550939722.db2.gz CURCGEKEQYDNQI-UXHICEINSA-N 1 3 350.466 2.431 20 30 FEEDHO C#CCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000294633962 552922338 /nfs/dbraw/zinc/92/23/38/552922338.db2.gz GHHYLDHZKZLBGY-UHFFFAOYSA-N 1 3 369.509 2.377 20 30 FEEDHO CCN1CCCN(c2nc(N3CCC[N@H+](CC)CC3)ccc2C#N)CC1 ZINC000302876918 553739281 /nfs/dbraw/zinc/73/92/81/553739281.db2.gz GGMYQQYQXUCJHR-UHFFFAOYSA-N 1 3 356.518 2.017 20 30 FEEDHO CCN1CCCN(c2nc(N3CCC[N@@H+](CC)CC3)ccc2C#N)CC1 ZINC000302876918 553739282 /nfs/dbraw/zinc/73/92/82/553739282.db2.gz GGMYQQYQXUCJHR-UHFFFAOYSA-N 1 3 356.518 2.017 20 30 FEEDHO CN(CCC#N)C[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517129666 562076712 /nfs/dbraw/zinc/07/67/12/562076712.db2.gz INIIHLWNCALRQZ-RTWAWAEBSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129666 562076714 /nfs/dbraw/zinc/07/67/14/562076714.db2.gz INIIHLWNCALRQZ-RTWAWAEBSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000517129666 562076715 /nfs/dbraw/zinc/07/67/15/562076715.db2.gz INIIHLWNCALRQZ-RTWAWAEBSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418534666 559405134 /nfs/dbraw/zinc/40/51/34/559405134.db2.gz GIFKSWZTKBQIBA-HXUWFJFHSA-N 1 3 357.502 2.021 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000602535130 567992241 /nfs/dbraw/zinc/99/22/41/567992241.db2.gz NSSBLFRTLORGPW-QGZVFWFLSA-N 1 3 372.513 2.167 20 30 FEEDHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583907 567994145 /nfs/dbraw/zinc/99/41/45/567994145.db2.gz VLVVMYMWWCAFAK-LSDHHAIUSA-N 1 3 356.392 2.445 20 30 FEEDHO C[C@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543535 671816915 /nfs/dbraw/zinc/81/69/15/671816915.db2.gz HFHOYDHWEOWCSR-KRWDZBQOSA-N 1 3 363.527 2.434 20 30 FEEDHO C[C@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543535 671816919 /nfs/dbraw/zinc/81/69/19/671816919.db2.gz HFHOYDHWEOWCSR-KRWDZBQOSA-N 1 3 363.527 2.434 20 30 FEEDHO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](N2CCCCC2)C1 ZINC000262767478 672920407 /nfs/dbraw/zinc/92/04/07/672920407.db2.gz HUPCHLALONROEH-BJLQDIEVSA-N 1 3 350.551 2.453 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl ZINC000303872049 673018073 /nfs/dbraw/zinc/01/80/73/673018073.db2.gz BSRUGJCCBPYWDX-GFCCVEGCSA-N 1 3 359.305 2.189 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521145 686214809 /nfs/dbraw/zinc/21/48/09/686214809.db2.gz IEYZDVHUCCQBFR-TZMCWYRMSA-N 1 3 351.834 2.004 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000876964900 686301739 /nfs/dbraw/zinc/30/17/39/686301739.db2.gz VBZSFZWWXSFKBO-BBWFWOEESA-N 1 3 351.878 2.117 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550069 542526160 /nfs/dbraw/zinc/52/61/60/542526160.db2.gz MJBMIVXYLRFZIW-VQTJNVASSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550069 542526163 /nfs/dbraw/zinc/52/61/63/542526163.db2.gz MJBMIVXYLRFZIW-VQTJNVASSA-N 1 3 369.513 2.258 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1 ZINC000081525254 542662767 /nfs/dbraw/zinc/66/27/67/542662767.db2.gz FUNQDVWHIMEZIQ-IBGZPJMESA-N 1 3 368.529 2.405 20 30 FEEDHO CC(C)Oc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C#N ZINC000133088698 544255451 /nfs/dbraw/zinc/25/54/51/544255451.db2.gz IINZKPVSZVAPGK-UHFFFAOYSA-N 1 3 361.490 2.303 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000139914665 544405665 /nfs/dbraw/zinc/40/56/65/544405665.db2.gz GDQONEHQXMLSNV-QGZVFWFLSA-N 1 3 359.539 2.422 20 30 FEEDHO N#Cc1ccccc1NC(=O)CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266785872 329259759 /nfs/dbraw/zinc/25/97/59/329259759.db2.gz WARWOOSTEVJNQZ-UHFFFAOYSA-N 1 3 370.497 2.464 20 30 FEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1cc(F)ccc1F ZINC000262335055 549811937 /nfs/dbraw/zinc/81/19/37/549811937.db2.gz ZDJWAKCCEMJIEP-MRXNPFEDSA-N 1 3 360.408 2.458 20 30 FEEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536731 550383515 /nfs/dbraw/zinc/38/35/15/550383515.db2.gz XVEGPOCGDFYMBS-HTXRYDERSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536731 550383518 /nfs/dbraw/zinc/38/35/18/550383518.db2.gz XVEGPOCGDFYMBS-HTXRYDERSA-N 1 3 368.481 2.013 20 30 FEEDHO OCC[C@@H](NCC#CC[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693262 550811877 /nfs/dbraw/zinc/81/18/77/550811877.db2.gz SKGYVEQRRSHBOJ-SZPZYZBQSA-N 1 3 352.478 2.416 20 30 FEEDHO OCC[C@@H]([NH2+]CC#CCN[C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000278693262 550811879 /nfs/dbraw/zinc/81/18/79/550811879.db2.gz SKGYVEQRRSHBOJ-SZPZYZBQSA-N 1 3 352.478 2.416 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000305631271 553748295 /nfs/dbraw/zinc/74/82/95/553748295.db2.gz FPTQRJIJZYGLKU-HOCLYGCPSA-N 1 3 356.474 2.229 20 30 FEEDHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330331454 554106585 /nfs/dbraw/zinc/10/65/85/554106585.db2.gz OAYCKGHVTMVGEU-KPFFTGBYSA-N 1 3 371.529 2.405 20 30 FEEDHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330331454 554106586 /nfs/dbraw/zinc/10/65/86/554106586.db2.gz OAYCKGHVTMVGEU-KPFFTGBYSA-N 1 3 371.529 2.405 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000369994801 556751999 /nfs/dbraw/zinc/75/19/99/556751999.db2.gz IXNLIRLMFHBKBZ-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000369994801 556752002 /nfs/dbraw/zinc/75/20/02/556752002.db2.gz IXNLIRLMFHBKBZ-IBGZPJMESA-N 1 3 353.510 2.455 20 30 FEEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769205 560964173 /nfs/dbraw/zinc/96/41/73/560964173.db2.gz NSPROWLZRREBCG-HLNWXESRSA-N 1 3 366.550 2.156 20 30 FEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602333731 567969381 /nfs/dbraw/zinc/96/93/81/567969381.db2.gz OBUFVZOUKKANKD-KRWDZBQOSA-N 1 3 371.529 2.092 20 30 FEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602333731 567969382 /nfs/dbraw/zinc/96/93/82/567969382.db2.gz OBUFVZOUKKANKD-KRWDZBQOSA-N 1 3 371.529 2.092 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595823 567999509 /nfs/dbraw/zinc/99/95/09/567999509.db2.gz DDBRPCXCKLXLEI-YLJYHZDGSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000602595823 567999510 /nfs/dbraw/zinc/99/95/10/567999510.db2.gz DDBRPCXCKLXLEI-YLJYHZDGSA-N 1 3 357.498 2.442 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000602595823 567999512 /nfs/dbraw/zinc/99/95/12/567999512.db2.gz DDBRPCXCKLXLEI-YLJYHZDGSA-N 1 3 357.498 2.442 20 30 FEEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCSC(C)(C)C1 ZINC000261790183 672903162 /nfs/dbraw/zinc/90/31/62/672903162.db2.gz GDIOQXYONHEERS-UHFFFAOYSA-N 1 3 368.591 2.424 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1 ZINC000304761680 673020868 /nfs/dbraw/zinc/02/08/68/673020868.db2.gz USTRHVNNMZOCMM-INIZCTEOSA-N 1 3 352.404 2.446 20 30 FEEDHO N#CCCCC[C@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000594435885 673071676 /nfs/dbraw/zinc/07/16/76/673071676.db2.gz AQLSMFQCYFJJBU-INIZCTEOSA-N 1 3 352.548 2.266 20 30 FEEDHO N#CCCCC[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000594435885 673071680 /nfs/dbraw/zinc/07/16/80/673071680.db2.gz AQLSMFQCYFJJBU-INIZCTEOSA-N 1 3 352.548 2.266 20 30 FEEDHO C[C@@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)CN1CCN(C)CC1 ZINC000912506105 685388668 /nfs/dbraw/zinc/38/86/68/685388668.db2.gz JGVYWQYAANZWLW-INIZCTEOSA-N 1 3 365.591 2.465 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876520451 686214285 /nfs/dbraw/zinc/21/42/85/686214285.db2.gz LQCIUVXZJRWCQR-GJZGRUSLSA-N 1 3 351.834 2.004 20 30 FEEDHO C[NH+](C)[C@@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722803 686253676 /nfs/dbraw/zinc/25/36/76/686253676.db2.gz FMUMMHRKVPKYAC-ROUUACIJSA-N 1 3 354.479 2.226 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000876745772 686259175 /nfs/dbraw/zinc/25/91/75/686259175.db2.gz LPNCYPWZMASWDF-KRWDZBQOSA-N 1 3 351.878 2.299 20 30 FEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000876904439 686291505 /nfs/dbraw/zinc/29/15/05/686291505.db2.gz YZVVDZAOAHKANK-DLBZAZTESA-N 1 3 351.878 2.418 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926212 686295821 /nfs/dbraw/zinc/29/58/21/686295821.db2.gz MHBLRDOZHRAYFJ-OAHLLOKOSA-N 1 3 365.909 2.053 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000057126633 540769731 /nfs/dbraw/zinc/76/97/31/540769731.db2.gz GIFLXFYENLQIHT-NRFANRHFSA-N 1 3 369.509 2.294 20 30 FEEDHO CN(CCC#N)C(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821205 542889037 /nfs/dbraw/zinc/88/90/37/542889037.db2.gz PMOHTHIXHVBYRU-UHFFFAOYSA-N 1 3 357.502 2.382 20 30 FEEDHO CN(CCC#N)C(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821205 542889042 /nfs/dbraw/zinc/88/90/42/542889042.db2.gz PMOHTHIXHVBYRU-UHFFFAOYSA-N 1 3 357.502 2.382 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C(C)C ZINC000262822346 549853523 /nfs/dbraw/zinc/85/35/23/549853523.db2.gz RIAHAAOKGLEPFI-PKOBYXMFSA-N 1 3 359.518 2.236 20 30 FEEDHO CN1CCN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1(C)C ZINC000282429433 551227536 /nfs/dbraw/zinc/22/75/36/551227536.db2.gz TWHCHIVTDBIIID-UHFFFAOYSA-N 1 3 369.557 2.138 20 30 FEEDHO CCN1CCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285476507 551762208 /nfs/dbraw/zinc/76/22/08/551762208.db2.gz BFQLXTCLOYJSDK-UHFFFAOYSA-N 1 3 355.530 2.144 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000299482569 553569543 /nfs/dbraw/zinc/56/95/43/553569543.db2.gz FUUHXFKUKNTTNV-UHFFFAOYSA-N 1 3 371.485 2.269 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076816 561784087 /nfs/dbraw/zinc/78/40/87/561784087.db2.gz HESKMEGBWBIWTF-QGZVFWFLSA-N 1 3 360.477 2.114 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076816 561784088 /nfs/dbraw/zinc/78/40/88/561784088.db2.gz HESKMEGBWBIWTF-QGZVFWFLSA-N 1 3 360.477 2.114 20 30 FEEDHO C[N@H+](C[C@@H]1CC12CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618193 554976038 /nfs/dbraw/zinc/97/60/38/554976038.db2.gz WYQOMWDITWQBCJ-ICSRJNTNSA-N 1 3 369.509 2.494 20 30 FEEDHO C[N@@H+](C[C@@H]1CC12CCN(C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618193 554976039 /nfs/dbraw/zinc/97/60/39/554976039.db2.gz WYQOMWDITWQBCJ-ICSRJNTNSA-N 1 3 369.509 2.494 20 30 FEEDHO C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147556 556793327 /nfs/dbraw/zinc/79/33/27/556793327.db2.gz DNTHEZAFAVRWQC-RXVVDRJESA-N 1 3 356.514 2.285 20 30 FEEDHO CN(CCC#N)C[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517129667 562076813 /nfs/dbraw/zinc/07/68/13/562076813.db2.gz INIIHLWNCALRQZ-SFTDATJTSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129667 562076814 /nfs/dbraw/zinc/07/68/14/562076814.db2.gz INIIHLWNCALRQZ-SFTDATJTSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000517129667 562076815 /nfs/dbraw/zinc/07/68/15/562076815.db2.gz INIIHLWNCALRQZ-SFTDATJTSA-N 1 3 358.530 2.085 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000423323681 559625482 /nfs/dbraw/zinc/62/54/82/559625482.db2.gz AKVOYMCIRMLFLZ-SJLPKXTDSA-N 1 3 359.518 2.305 20 30 FEEDHO C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000451673883 560321209 /nfs/dbraw/zinc/32/12/09/560321209.db2.gz MCSSPLHUEARJHX-UXHICEINSA-N 1 3 357.498 2.222 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459251813 560676065 /nfs/dbraw/zinc/67/60/65/560676065.db2.gz GMSJHCZPFCDWCS-IBGZPJMESA-N 1 3 371.529 2.363 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459251813 560676066 /nfs/dbraw/zinc/67/60/66/560676066.db2.gz GMSJHCZPFCDWCS-IBGZPJMESA-N 1 3 371.529 2.363 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000304811700 673021270 /nfs/dbraw/zinc/02/12/70/673021270.db2.gz XLVKFWGSQBRNNW-MRXNPFEDSA-N 1 3 352.404 2.446 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(C#N)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995826246 680304661 /nfs/dbraw/zinc/30/46/61/680304661.db2.gz PIATWPWBXHVOCU-KBRIMQKVSA-N 1 3 360.527 2.287 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(C#N)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995826246 680304667 /nfs/dbraw/zinc/30/46/67/680304667.db2.gz PIATWPWBXHVOCU-KBRIMQKVSA-N 1 3 360.527 2.287 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000155349666 545515731 /nfs/dbraw/zinc/51/57/31/545515731.db2.gz JUUAXSJZJDNRLD-QGZVFWFLSA-N 1 3 354.498 2.068 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150866 546237907 /nfs/dbraw/zinc/23/79/07/546237907.db2.gz VCKNWDFDYSHDAV-MJGOQNOKSA-N 1 3 366.550 2.073 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150866 546237914 /nfs/dbraw/zinc/23/79/14/546237914.db2.gz VCKNWDFDYSHDAV-MJGOQNOKSA-N 1 3 366.550 2.073 20 30 FEEDHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000263681490 549918230 /nfs/dbraw/zinc/91/82/30/549918230.db2.gz KTXUVAVXHZRNFB-UHFFFAOYSA-N 1 3 357.502 2.116 20 30 FEEDHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000263681490 549918231 /nfs/dbraw/zinc/91/82/31/549918231.db2.gz KTXUVAVXHZRNFB-UHFFFAOYSA-N 1 3 357.502 2.116 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1 ZINC000264112131 549980821 /nfs/dbraw/zinc/98/08/21/549980821.db2.gz PEBGBXNVOGOGIK-GOSISDBHSA-N 1 3 357.502 2.314 20 30 FEEDHO C#CCN(C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000296557158 553179055 /nfs/dbraw/zinc/17/90/55/553179055.db2.gz GFDXENQWOMKQKR-SEJPIABJSA-N 1 3 368.525 2.436 20 30 FEEDHO C#CCN(C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296557158 553179059 /nfs/dbraw/zinc/17/90/59/553179059.db2.gz GFDXENQWOMKQKR-SEJPIABJSA-N 1 3 368.525 2.436 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984629 559517360 /nfs/dbraw/zinc/51/73/60/559517360.db2.gz UAFVGDOUVHAFQJ-LJQANCHMSA-N 1 3 362.562 2.068 20 30 FEEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984629 559517361 /nfs/dbraw/zinc/51/73/61/559517361.db2.gz UAFVGDOUVHAFQJ-LJQANCHMSA-N 1 3 362.562 2.068 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000455899224 560499618 /nfs/dbraw/zinc/49/96/18/560499618.db2.gz ACOJWGLVJWAGFK-UHFFFAOYSA-N 1 3 355.486 2.433 20 30 FEEDHO CN(C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000931282885 684254137 /nfs/dbraw/zinc/25/41/37/684254137.db2.gz MAUFSJFLDRXJMC-HWWDLCQESA-N 1 3 358.511 2.319 20 30 FEEDHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000931282885 684254143 /nfs/dbraw/zinc/25/41/43/684254143.db2.gz MAUFSJFLDRXJMC-HWWDLCQESA-N 1 3 358.511 2.319 20 30 FEEDHO CCN1CCN(CCC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000064613978 541212933 /nfs/dbraw/zinc/21/29/33/541212933.db2.gz SXEFNZBLKJOSCP-UHFFFAOYSA-N 1 3 374.529 2.495 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081613814 542668323 /nfs/dbraw/zinc/66/83/23/542668323.db2.gz QURVZBMYMAIAER-UXHICEINSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081613814 542668329 /nfs/dbraw/zinc/66/83/29/542668329.db2.gz QURVZBMYMAIAER-UXHICEINSA-N 1 3 354.498 2.323 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131785590 544206812 /nfs/dbraw/zinc/20/68/12/544206812.db2.gz PCAVEAPZMFUTDJ-ICSRJNTNSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785590 544206815 /nfs/dbraw/zinc/20/68/15/544206815.db2.gz PCAVEAPZMFUTDJ-ICSRJNTNSA-N 1 3 353.510 2.358 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160693661 546064169 /nfs/dbraw/zinc/06/41/69/546064169.db2.gz FGNZKPNJDXWGPI-FQEVSTJZSA-N 1 3 369.513 2.116 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160693661 546064172 /nfs/dbraw/zinc/06/41/72/546064172.db2.gz FGNZKPNJDXWGPI-FQEVSTJZSA-N 1 3 369.513 2.116 20 30 FEEDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C#N ZINC000180997412 547227404 /nfs/dbraw/zinc/22/74/04/547227404.db2.gz FDLATKATPKXRKH-HXUWFJFHSA-N 1 3 351.450 2.423 20 30 FEEDHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C#N ZINC000180997412 547227409 /nfs/dbraw/zinc/22/74/09/547227409.db2.gz FDLATKATPKXRKH-HXUWFJFHSA-N 1 3 351.450 2.423 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1 ZINC000264098703 549979006 /nfs/dbraw/zinc/97/90/06/549979006.db2.gz NJIAKZQJHPLHGM-GOSISDBHSA-N 1 3 362.493 2.263 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536741 550383533 /nfs/dbraw/zinc/38/35/33/550383533.db2.gz XVEGPOCGDFYMBS-XANXLALBSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536741 550383535 /nfs/dbraw/zinc/38/35/35/550383535.db2.gz XVEGPOCGDFYMBS-XANXLALBSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H](C#N)Oc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000368584049 556352621 /nfs/dbraw/zinc/35/26/21/556352621.db2.gz LPKWUEJZBOBCDC-SFHVURJKSA-N 1 3 356.514 2.437 20 30 FEEDHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049618 562274561 /nfs/dbraw/zinc/27/45/61/562274561.db2.gz GCTCEYZGDRJNKR-IRXDYDNUSA-N 1 3 354.498 2.295 20 30 FEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1 ZINC000417529626 559366085 /nfs/dbraw/zinc/36/60/85/559366085.db2.gz QBLFTGWGBUFPPW-RBUKOAKNSA-N 1 3 360.477 2.302 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418534665 559405161 /nfs/dbraw/zinc/40/51/61/559405161.db2.gz GIFKSWZTKBQIBA-FQEVSTJZSA-N 1 3 357.502 2.021 20 30 FEEDHO C=CCOc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469850053 560966583 /nfs/dbraw/zinc/96/65/83/560966583.db2.gz GMQNBVVQIODGPG-AZUAARDMSA-N 1 3 357.498 2.332 20 30 FEEDHO N#Cc1cc(NCC[NH+]2CCCC2)cc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000536986936 562583780 /nfs/dbraw/zinc/58/37/80/562583780.db2.gz JLWDTTANSNHZDQ-UHFFFAOYSA-N 1 3 372.473 2.482 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl ZINC000126155698 672020930 /nfs/dbraw/zinc/02/09/30/672020930.db2.gz JVUYPMGRIXDNEQ-LBPRGKRZSA-N 1 3 360.289 2.156 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1 ZINC000303868045 673018191 /nfs/dbraw/zinc/01/81/91/673018191.db2.gz DHGSTHWTEMHAJX-AWEZNQCLSA-N 1 3 358.408 2.473 20 30 FEEDHO CCN(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccsc1 ZINC000884188679 687812430 /nfs/dbraw/zinc/81/24/30/687812430.db2.gz NKGLUTHJPABLFO-ISXWCOSWSA-N 1 3 360.527 2.387 20 30 FEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067861084 541521930 /nfs/dbraw/zinc/52/19/30/541521930.db2.gz HXWNZPCGKICWKS-UHFFFAOYSA-N 1 3 353.510 2.360 20 30 FEEDHO C#CCN1CCC(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092517364 542867360 /nfs/dbraw/zinc/86/73/60/542867360.db2.gz CSGYDYNFUBGUER-UHFFFAOYSA-N 1 3 368.525 2.492 20 30 FEEDHO CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127475448 543995347 /nfs/dbraw/zinc/99/53/47/543995347.db2.gz VGBANBIMBQIKJQ-UHFFFAOYSA-N 1 3 369.513 2.258 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000129172750 544094942 /nfs/dbraw/zinc/09/49/42/544094942.db2.gz AEZWKCNHKLAPHS-ZWKOTPCHSA-N 1 3 360.502 2.051 20 30 FEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000145670160 544436216 /nfs/dbraw/zinc/43/62/16/544436216.db2.gz KQIHWUMQDHGKTC-UHFFFAOYSA-N 1 3 359.539 2.422 20 30 FEEDHO CN1CCC(Nc2cc(NC3CC[NH+](C)CC3)cc(C#N)c2[N+](=O)[O-])CC1 ZINC000269365840 329511796 /nfs/dbraw/zinc/51/17/96/329511796.db2.gz OBMIMXQVXFVRRR-UHFFFAOYSA-N 1 3 372.473 2.479 20 30 FEEDHO CN(C)CCN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181467329 547320254 /nfs/dbraw/zinc/32/02/54/547320254.db2.gz XNOAGEJBMGGLMD-UHFFFAOYSA-N 1 3 369.557 2.138 20 30 FEEDHO C[C@H]1C[NH+]=C(NCc2ccccc2CN2CCN(c3ccccc3)CC2)N1 ZINC000262627114 549833195 /nfs/dbraw/zinc/83/31/95/549833195.db2.gz DWCBABRHLLUNAU-SFHVURJKSA-N 1 3 363.509 2.446 20 30 FEEDHO C[C@@H]1C[NH+]=C(NCc2ccccc2CN2CCN(c3ccccc3)CC2)N1 ZINC000262627112 549833365 /nfs/dbraw/zinc/83/33/65/549833365.db2.gz DWCBABRHLLUNAU-GOSISDBHSA-N 1 3 363.509 2.446 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000264113973 549980782 /nfs/dbraw/zinc/98/07/82/549980782.db2.gz PMEOVPVWKZAMIH-QGZVFWFLSA-N 1 3 369.469 2.421 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272719 550029588 /nfs/dbraw/zinc/02/95/88/550029588.db2.gz ARIQPXWYALIDMC-RXVVDRJESA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272719 550029592 /nfs/dbraw/zinc/02/95/92/550029592.db2.gz ARIQPXWYALIDMC-RXVVDRJESA-N 1 3 353.510 2.358 20 30 FEEDHO COc1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000328804135 553824464 /nfs/dbraw/zinc/82/44/64/553824464.db2.gz BPAUNNIRVJGLBD-UHFFFAOYSA-N 1 3 353.492 2.036 20 30 FEEDHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000377559963 558364586 /nfs/dbraw/zinc/36/45/86/558364586.db2.gz FEYKHTZFKYVWHC-MANSERQUSA-N 1 3 358.486 2.351 20 30 FEEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971641 560995487 /nfs/dbraw/zinc/99/54/87/560995487.db2.gz XVHMYLVVQCXGMW-UXHICEINSA-N 1 3 368.481 2.200 20 30 FEEDHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000472267012 561022350 /nfs/dbraw/zinc/02/23/50/561022350.db2.gz AMPDTCHDNHIEQT-SFHVURJKSA-N 1 3 358.486 2.320 20 30 FEEDHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000472269388 561022442 /nfs/dbraw/zinc/02/24/42/561022442.db2.gz VQMQTMGNXOHQNV-IBGZPJMESA-N 1 3 358.486 2.320 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000569600964 568409133 /nfs/dbraw/zinc/40/91/33/568409133.db2.gz NGGATRQKFLSIQS-UHFFFAOYSA-N 1 3 365.481 2.290 20 30 FEEDHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000817971641 675188484 /nfs/dbraw/zinc/18/84/84/675188484.db2.gz FZVJTLYLYLAIAR-BBRMVZONSA-N 1 3 356.392 2.076 20 30 FEEDHO CC1CC[NH+](CCCCNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000580064199 671780068 /nfs/dbraw/zinc/78/00/68/671780068.db2.gz PBMAGYXRWXKCAG-UHFFFAOYSA-N 1 3 363.527 2.434 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303888140 673018316 /nfs/dbraw/zinc/01/83/16/673018316.db2.gz LGCBNIUYGXCRPQ-CYBMUJFWSA-N 1 3 356.417 2.185 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520340 686214044 /nfs/dbraw/zinc/21/40/44/686214044.db2.gz JKVJITWAYYULHY-CQSZACIVSA-N 1 3 351.834 2.004 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067361159 541449479 /nfs/dbraw/zinc/44/94/79/541449479.db2.gz CAUOKNLCTOUQBS-FQEVSTJZSA-N 1 3 353.510 2.360 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067361159 541449480 /nfs/dbraw/zinc/44/94/80/541449480.db2.gz CAUOKNLCTOUQBS-FQEVSTJZSA-N 1 3 353.510 2.360 20 30 FEEDHO C=C(C)C[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073437106 541953731 /nfs/dbraw/zinc/95/37/31/541953731.db2.gz QVGXNVZGKFPSPA-UHFFFAOYSA-N 1 3 370.541 2.355 20 30 FEEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180051678 327669182 /nfs/dbraw/zinc/66/91/82/327669182.db2.gz ANLUKEIWPUBNRV-QGZVFWFLSA-N 1 3 366.513 2.074 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790592 327284473 /nfs/dbraw/zinc/28/44/73/327284473.db2.gz OERHERBQRVHZOC-IBGZPJMESA-N 1 3 357.502 2.116 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790592 327284474 /nfs/dbraw/zinc/28/44/74/327284474.db2.gz OERHERBQRVHZOC-IBGZPJMESA-N 1 3 357.502 2.116 20 30 FEEDHO C#CCOc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186798533 548195030 /nfs/dbraw/zinc/19/50/30/548195030.db2.gz IRESFNLPPMHNSW-UHFFFAOYSA-N 1 3 370.497 2.379 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187455156 548257258 /nfs/dbraw/zinc/25/72/58/548257258.db2.gz PENXIWFGXKGSDV-NRFANRHFSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455156 548257262 /nfs/dbraw/zinc/25/72/62/548257262.db2.gz PENXIWFGXKGSDV-NRFANRHFSA-N 1 3 353.510 2.358 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N(C)CCC#N ZINC000249296892 549577927 /nfs/dbraw/zinc/57/79/27/549577927.db2.gz NBRNFQIJMFRVKR-WGMWDUQUSA-N 1 3 356.514 2.495 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N(C)CCC#N ZINC000249296892 549577929 /nfs/dbraw/zinc/57/79/29/549577929.db2.gz NBRNFQIJMFRVKR-WGMWDUQUSA-N 1 3 356.514 2.495 20 30 FEEDHO CCc1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000264132740 549983383 /nfs/dbraw/zinc/98/33/83/549983383.db2.gz YKWDSYRQJAWYDY-UHFFFAOYSA-N 1 3 367.497 2.467 20 30 FEEDHO CN1CC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693353 /nfs/dbraw/zinc/69/33/53/552693353.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 1 3 358.511 2.465 20 30 FEEDHO CN1CC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693354 /nfs/dbraw/zinc/69/33/54/552693354.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 1 3 358.511 2.465 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504316259 561656201 /nfs/dbraw/zinc/65/62/01/561656201.db2.gz GBUZVCRBLDHNFP-WOJBJXKFSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316259 561656202 /nfs/dbraw/zinc/65/62/02/561656202.db2.gz GBUZVCRBLDHNFP-WOJBJXKFSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504316256 561656258 /nfs/dbraw/zinc/65/62/58/561656258.db2.gz GBUZVCRBLDHNFP-PMACEKPBSA-N 1 3 369.513 2.258 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316256 561656259 /nfs/dbraw/zinc/65/62/59/561656259.db2.gz GBUZVCRBLDHNFP-PMACEKPBSA-N 1 3 369.513 2.258 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333135340 554577972 /nfs/dbraw/zinc/57/79/72/554577972.db2.gz CFFMWCZEBRQIJM-UHFFFAOYSA-N 1 3 360.546 2.480 20 30 FEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000372567400 557506918 /nfs/dbraw/zinc/50/69/18/557506918.db2.gz FVMVVSQRDVJCAI-NEYJZJCJSA-N 1 3 363.546 2.334 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418608645 559407728 /nfs/dbraw/zinc/40/77/28/559407728.db2.gz BMYXOUYCUIXJEO-LJQANCHMSA-N 1 3 357.502 2.149 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211524 559571665 /nfs/dbraw/zinc/57/16/65/559571665.db2.gz DBGNZZSNRXOJOK-OAHLLOKOSA-N 1 3 363.531 2.177 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211524 559571666 /nfs/dbraw/zinc/57/16/66/559571666.db2.gz DBGNZZSNRXOJOK-OAHLLOKOSA-N 1 3 363.531 2.177 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCCN(C)[C@H]3C)n2)CCC[N@@H+]1C ZINC000436354610 559940478 /nfs/dbraw/zinc/94/04/78/559940478.db2.gz CBPGUBDJAMBLQO-ATLSCFEFSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCCN(C)[C@H]3C)n2)CCC[N@H+]1C ZINC000436354610 559940479 /nfs/dbraw/zinc/94/04/79/559940479.db2.gz CBPGUBDJAMBLQO-ATLSCFEFSA-N 1 3 356.518 2.742 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815174 560896472 /nfs/dbraw/zinc/89/64/72/560896472.db2.gz LKCJJOMWUFXCPL-HXUWFJFHSA-N 1 3 371.529 2.158 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815174 560896474 /nfs/dbraw/zinc/89/64/74/560896474.db2.gz LKCJJOMWUFXCPL-HXUWFJFHSA-N 1 3 371.529 2.158 20 30 FEEDHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602583906 567994138 /nfs/dbraw/zinc/99/41/38/567994138.db2.gz VLVVMYMWWCAFAK-HUUCEWRRSA-N 1 3 356.392 2.445 20 30 FEEDHO C[C@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945515 675162804 /nfs/dbraw/zinc/16/28/04/675162804.db2.gz IRGRXQMLFIRZMY-KRWDZBQOSA-N 1 3 363.527 2.434 20 30 FEEDHO C[C@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945515 675162807 /nfs/dbraw/zinc/16/28/07/675162807.db2.gz IRGRXQMLFIRZMY-KRWDZBQOSA-N 1 3 363.527 2.434 20 30 FEEDHO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000303975526 673019009 /nfs/dbraw/zinc/01/90/09/673019009.db2.gz JDIZHDBQOONTCR-SJORKVTESA-N 1 3 353.555 2.048 20 30 FEEDHO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000303975523 673019163 /nfs/dbraw/zinc/01/91/63/673019163.db2.gz JDIZHDBQOONTCR-DLBZAZTESA-N 1 3 353.555 2.048 20 30 FEEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000884178790 687809150 /nfs/dbraw/zinc/80/91/50/687809150.db2.gz UYBODCGZRCIXPI-IOSXPMGOSA-N 1 3 358.511 2.141 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080572493 542595564 /nfs/dbraw/zinc/59/55/64/542595564.db2.gz YRNKDDGTBAJJJL-VQTJNVASSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080572493 542595567 /nfs/dbraw/zinc/59/55/67/542595567.db2.gz YRNKDDGTBAJJJL-VQTJNVASSA-N 1 3 354.498 2.323 20 30 FEEDHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178524853 546807471 /nfs/dbraw/zinc/80/74/71/546807471.db2.gz FXSZOUMWUNNGAM-UHFFFAOYSA-N 1 3 356.514 2.378 20 30 FEEDHO CCN(CCC#N)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248865412 549517199 /nfs/dbraw/zinc/51/71/99/549517199.db2.gz AWMMNZZDUBSOII-WGMWDUQUSA-N 1 3 356.514 2.495 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1 ZINC000264330164 549994595 /nfs/dbraw/zinc/99/45/95/549994595.db2.gz ZYORGYQSHUEVPF-QGZVFWFLSA-N 1 3 359.449 2.412 20 30 FEEDHO C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000378371934 558542104 /nfs/dbraw/zinc/54/21/04/558542104.db2.gz SYBJGPIJUAATFG-GOSISDBHSA-N 1 3 356.514 2.427 20 30 FEEDHO C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000378371934 558542105 /nfs/dbraw/zinc/54/21/05/558542105.db2.gz SYBJGPIJUAATFG-GOSISDBHSA-N 1 3 356.514 2.427 20 30 FEEDHO C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371934 558542109 /nfs/dbraw/zinc/54/21/09/558542109.db2.gz SYBJGPIJUAATFG-GOSISDBHSA-N 1 3 356.514 2.427 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1 ZINC000303878064 673017856 /nfs/dbraw/zinc/01/78/56/673017856.db2.gz IYKNBJZJCTTZKH-CQSZACIVSA-N 1 3 358.408 2.473 20 30 FEEDHO CCCN(CCNC(=[NH2+])NC[C@@H]1CCCN1CC)C(=O)OC(C)(C)C ZINC000305269406 673021321 /nfs/dbraw/zinc/02/13/21/673021321.db2.gz SFZOUXBDOGRLDP-HNNXBMFYSA-N 1 3 355.527 2.022 20 30 FEEDHO C=CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)COC ZINC000617582619 676293353 /nfs/dbraw/zinc/29/33/53/676293353.db2.gz QOFKLPBTYKKDDS-KRWDZBQOSA-N 1 3 351.535 2.232 20 30 FEEDHO CN(C)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1 ZINC000884312764 687844142 /nfs/dbraw/zinc/84/41/42/687844142.db2.gz NJAVZDFTDVPELF-HLCARVAJSA-N 1 3 360.889 2.198 20 30 FEEDHO CN(C)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1 ZINC000884312765 687844728 /nfs/dbraw/zinc/84/47/28/687844728.db2.gz NJAVZDFTDVPELF-QXCFYTAISA-N 1 3 360.889 2.198 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160693532 546064069 /nfs/dbraw/zinc/06/40/69/546064069.db2.gz FGNZKPNJDXWGPI-HXUWFJFHSA-N 1 3 369.513 2.116 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160693532 546064073 /nfs/dbraw/zinc/06/40/73/546064073.db2.gz FGNZKPNJDXWGPI-HXUWFJFHSA-N 1 3 369.513 2.116 20 30 FEEDHO C=CCN1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000171709569 546219948 /nfs/dbraw/zinc/21/99/48/546219948.db2.gz UAQMWCAOUNHYFH-UHFFFAOYSA-N 1 3 360.502 2.077 20 30 FEEDHO C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000264564880 549997897 /nfs/dbraw/zinc/99/78/97/549997897.db2.gz RFEJNPKVPNCIEM-OAQYLSRUSA-N 1 3 368.525 2.240 20 30 FEEDHO C#CCN1CCC(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000264564880 549997900 /nfs/dbraw/zinc/99/79/00/549997900.db2.gz RFEJNPKVPNCIEM-OAQYLSRUSA-N 1 3 368.525 2.240 20 30 FEEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000265082431 550005715 /nfs/dbraw/zinc/00/57/15/550005715.db2.gz KFCRFGLUXPKTRC-GOSISDBHSA-N 1 3 366.550 2.095 20 30 FEEDHO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272562268 550458153 /nfs/dbraw/zinc/45/81/53/550458153.db2.gz GUMVMTXFDOQYMW-XANXLALBSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H](NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562268 550458154 /nfs/dbraw/zinc/45/81/54/550458154.db2.gz GUMVMTXFDOQYMW-XANXLALBSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@@H](NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562268 550458155 /nfs/dbraw/zinc/45/81/55/550458155.db2.gz GUMVMTXFDOQYMW-XANXLALBSA-N 1 3 368.481 2.013 20 30 FEEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285626551 551785273 /nfs/dbraw/zinc/78/52/73/551785273.db2.gz QZQOALGBNNGDPQ-NRFANRHFSA-N 1 3 354.498 2.347 20 30 FEEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285626551 551785275 /nfs/dbraw/zinc/78/52/75/551785275.db2.gz QZQOALGBNNGDPQ-NRFANRHFSA-N 1 3 354.498 2.347 20 30 FEEDHO N#Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000289892569 552395236 /nfs/dbraw/zinc/39/52/36/552395236.db2.gz SXYICPRFTMATMH-UHFFFAOYSA-N 1 3 354.498 2.372 20 30 FEEDHO CCOCCCNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000303896012 553746812 /nfs/dbraw/zinc/74/68/12/553746812.db2.gz UCWHGMVIMDYXDI-UHFFFAOYSA-N 1 3 362.518 2.238 20 30 FEEDHO CCOCCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000304757420 553747713 /nfs/dbraw/zinc/74/77/13/553747713.db2.gz OVPITPQJGBGKJG-IEBWSBKVSA-N 1 3 362.518 2.409 20 30 FEEDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCC[N@H+](C)[C@@H]3C)ccc2C#N)CCCN1C ZINC000436354612 559940490 /nfs/dbraw/zinc/94/04/90/559940490.db2.gz CBPGUBDJAMBLQO-JOCBIADPSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)ccc2C#N)CCCN1C ZINC000436354612 559940491 /nfs/dbraw/zinc/94/04/91/559940491.db2.gz CBPGUBDJAMBLQO-JOCBIADPSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000601968585 567889949 /nfs/dbraw/zinc/88/99/49/567889949.db2.gz OVGPMKKISSOSBZ-HLAWJBBLSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000601968585 567889950 /nfs/dbraw/zinc/88/99/50/567889950.db2.gz OVGPMKKISSOSBZ-HLAWJBBLSA-N 1 3 371.525 2.415 20 30 FEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000601968585 567889951 /nfs/dbraw/zinc/88/99/51/567889951.db2.gz OVGPMKKISSOSBZ-HLAWJBBLSA-N 1 3 371.525 2.415 20 30 FEEDHO CC1CC[NH+](CCCCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000583495062 672100190 /nfs/dbraw/zinc/10/01/90/672100190.db2.gz OXQQNMJCBHLZQV-UHFFFAOYSA-N 1 3 363.527 2.434 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000303778317 673017471 /nfs/dbraw/zinc/01/74/71/673017471.db2.gz JLUXNUYKNLBFRA-CQSZACIVSA-N 1 3 366.893 2.042 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001024967442 680308458 /nfs/dbraw/zinc/30/84/58/680308458.db2.gz OVDYQTHTOFSQMD-IIDMSEBBSA-N 1 3 360.527 2.431 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001024967442 680308459 /nfs/dbraw/zinc/30/84/59/680308459.db2.gz OVDYQTHTOFSQMD-IIDMSEBBSA-N 1 3 360.527 2.431 20 30 FEEDHO C=C(CC[NH+](C)C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000907994759 691595062 /nfs/dbraw/zinc/59/50/62/691595062.db2.gz YSUWXPSBSAHNGL-GOSISDBHSA-N 1 3 353.551 2.214 20 30 FEEDHO C[NH+](C)CC1CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001165041928 721950543 /nfs/dbraw/zinc/95/05/43/721950543.db2.gz CGXIPLKXEPLZLY-HNNXBMFYSA-N 1 3 359.474 2.203 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000045121571 540204210 /nfs/dbraw/zinc/20/42/10/540204210.db2.gz LTQNDTKXMYKLQW-UHFFFAOYSA-N 1 3 357.502 2.117 20 30 FEEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180051666 547044103 /nfs/dbraw/zinc/04/41/03/547044103.db2.gz ANLUKEIWPUBNRV-KRWDZBQOSA-N 1 3 366.513 2.074 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264344631 549994303 /nfs/dbraw/zinc/99/43/03/549994303.db2.gz WBFMFLWSKOWUFB-HXUWFJFHSA-N 1 3 353.510 2.012 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264344631 549994305 /nfs/dbraw/zinc/99/43/05/549994305.db2.gz WBFMFLWSKOWUFB-HXUWFJFHSA-N 1 3 353.510 2.012 20 30 FEEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536737 550383702 /nfs/dbraw/zinc/38/37/02/550383702.db2.gz XVEGPOCGDFYMBS-WLOXRLQYSA-N 1 3 368.481 2.013 20 30 FEEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000271536737 550383705 /nfs/dbraw/zinc/38/37/05/550383705.db2.gz XVEGPOCGDFYMBS-WLOXRLQYSA-N 1 3 368.481 2.013 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368417934 556303191 /nfs/dbraw/zinc/30/31/91/556303191.db2.gz VFYAHFORLTUCHT-BHIYHBOVSA-N 1 3 373.497 2.425 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368417934 556303188 /nfs/dbraw/zinc/30/31/88/556303188.db2.gz VFYAHFORLTUCHT-BHIYHBOVSA-N 1 3 373.497 2.425 20 30 FEEDHO CN(C)C1(CNc2cc(NCC3([NH+](C)C)CC3)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000419002593 559425069 /nfs/dbraw/zinc/42/50/69/559425069.db2.gz CESOSSMHQVMBSS-UHFFFAOYSA-N 1 3 372.473 2.479 20 30 FEEDHO N#CCc1ccc(OC[C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847299 568000488 /nfs/dbraw/zinc/00/04/88/568000488.db2.gz VZOUHDNNHJHCDL-FQEVSTJZSA-N 1 3 366.465 2.100 20 30 FEEDHO C#CCOc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000817971604 675188337 /nfs/dbraw/zinc/18/83/37/675188337.db2.gz FVQVRCXOFVLPEM-YOEHRIQHSA-N 1 3 355.404 2.185 20 30 FEEDHO C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262305344 672913179 /nfs/dbraw/zinc/91/31/79/672913179.db2.gz AJHZDFJMPYBKMH-ZWKOTPCHSA-N 1 3 363.575 2.486 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1 ZINC000303971311 673019144 /nfs/dbraw/zinc/01/91/44/673019144.db2.gz DIPLIWOBULFKDA-CYBMUJFWSA-N 1 3 369.307 2.346 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000876707572 686248978 /nfs/dbraw/zinc/24/89/78/686248978.db2.gz KIIJFLGCIAKFTG-INIZCTEOSA-N 1 3 366.893 2.167 20 30 FEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000876782647 686268419 /nfs/dbraw/zinc/26/84/19/686268419.db2.gz YAOPDHSYERPPCC-SFHVURJKSA-N 1 3 364.921 2.175 20 30 FEEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000092820949 542888131 /nfs/dbraw/zinc/88/81/31/542888131.db2.gz OZAHKLVNLVTQDZ-NRFANRHFSA-N 1 3 369.513 2.428 20 30 FEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180285462 547078686 /nfs/dbraw/zinc/07/86/86/547078686.db2.gz AKTUSNIEWPCCPN-IBGZPJMESA-N 1 3 355.486 2.405 20 30 FEEDHO CN1CCCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181704561 547363364 /nfs/dbraw/zinc/36/33/64/547363364.db2.gz HBFMHLVKUUOXNG-UHFFFAOYSA-N 1 3 369.557 2.140 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263244093 549888691 /nfs/dbraw/zinc/88/86/91/549888691.db2.gz MDVFZMCBQHKTMS-CQSZACIVSA-N 1 3 366.893 2.390 20 30 FEEDHO COc1ccc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000264137711 549983903 /nfs/dbraw/zinc/98/39/03/549983903.db2.gz VTCUNEGSLFOVMR-UHFFFAOYSA-N 1 3 367.497 2.369 20 30 FEEDHO C=CCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000279581750 550905368 /nfs/dbraw/zinc/90/53/68/550905368.db2.gz QOSVELLRPHPDSS-BGYRXZFFSA-N 1 3 368.525 2.410 20 30 FEEDHO C=CCN1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000279581750 550905370 /nfs/dbraw/zinc/90/53/70/550905370.db2.gz QOSVELLRPHPDSS-BGYRXZFFSA-N 1 3 368.525 2.410 20 30 FEEDHO C#Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000296429859 553158397 /nfs/dbraw/zinc/15/83/97/553158397.db2.gz SSYOUCABMADWEQ-UHFFFAOYSA-N 1 3 354.498 2.026 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297523834 553304027 /nfs/dbraw/zinc/30/40/27/553304027.db2.gz NWHMFGQDNCXUDH-IHWFROFDSA-N 1 3 369.513 2.257 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297523834 553304029 /nfs/dbraw/zinc/30/40/29/553304029.db2.gz NWHMFGQDNCXUDH-IHWFROFDSA-N 1 3 369.513 2.257 20 30 FEEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517129664 562076657 /nfs/dbraw/zinc/07/66/57/562076657.db2.gz INIIHLWNCALRQZ-LEWJYISDSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129664 562076658 /nfs/dbraw/zinc/07/66/58/562076658.db2.gz INIIHLWNCALRQZ-LEWJYISDSA-N 1 3 358.530 2.085 20 30 FEEDHO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000517129664 562076659 /nfs/dbraw/zinc/07/66/59/562076659.db2.gz INIIHLWNCALRQZ-LEWJYISDSA-N 1 3 358.530 2.085 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000437986892 559972615 /nfs/dbraw/zinc/97/26/15/559972615.db2.gz NSQZRUYYKONAFN-QYZOEREBSA-N 1 3 366.550 2.025 20 30 FEEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000437986892 559972616 /nfs/dbraw/zinc/97/26/16/559972616.db2.gz NSQZRUYYKONAFN-QYZOEREBSA-N 1 3 366.550 2.025 20 30 FEEDHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022811 560793251 /nfs/dbraw/zinc/79/32/51/560793251.db2.gz HIHNARIVGVJNDF-INIZCTEOSA-N 1 3 354.498 2.337 20 30 FEEDHO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000771005786 681036330 /nfs/dbraw/zinc/03/63/30/681036330.db2.gz SFCVZLRDJNZIMF-HNNXBMFYSA-N 1 3 365.547 2.229 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518193 686214308 /nfs/dbraw/zinc/21/43/08/686214308.db2.gz CKQRWDLFLWYCMK-OAHLLOKOSA-N 1 3 351.834 2.004 20 30 FEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425797 688610497 /nfs/dbraw/zinc/61/04/97/688610497.db2.gz BDMPBZUKGFYAIG-JTQLQIEISA-N 1 3 358.899 2.062 20 30 FEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425797 688610500 /nfs/dbraw/zinc/61/05/00/688610500.db2.gz BDMPBZUKGFYAIG-JTQLQIEISA-N 1 3 358.899 2.062 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150870 546238459 /nfs/dbraw/zinc/23/84/59/546238459.db2.gz VCKNWDFDYSHDAV-IEBWSBKVSA-N 1 3 366.550 2.073 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150870 546238461 /nfs/dbraw/zinc/23/84/61/546238461.db2.gz VCKNWDFDYSHDAV-IEBWSBKVSA-N 1 3 366.550 2.073 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248911683 549526873 /nfs/dbraw/zinc/52/68/73/549526873.db2.gz VMCGXOOGSQPKNF-FXAWDEMLSA-N 1 3 356.514 2.457 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248911683 549526876 /nfs/dbraw/zinc/52/68/76/549526876.db2.gz VMCGXOOGSQPKNF-FXAWDEMLSA-N 1 3 356.514 2.457 20 30 FEEDHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000281458225 551099954 /nfs/dbraw/zinc/09/99/54/551099954.db2.gz ARSMTWZBSIYPDM-HXUWFJFHSA-N 1 3 351.450 2.423 20 30 FEEDHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000281458225 551099955 /nfs/dbraw/zinc/09/99/55/551099955.db2.gz ARSMTWZBSIYPDM-HXUWFJFHSA-N 1 3 351.450 2.423 20 30 FEEDHO C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703292 554982181 /nfs/dbraw/zinc/98/21/81/554982181.db2.gz PYRIJDXNMAHCTJ-RXVVDRJESA-N 1 3 356.514 2.285 20 30 FEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000372567405 557507102 /nfs/dbraw/zinc/50/71/02/557507102.db2.gz FVMVVSQRDVJCAI-XKGFGPFHSA-N 1 3 363.546 2.334 20 30 FEEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000458330996 560615448 /nfs/dbraw/zinc/61/54/48/560615448.db2.gz HFFLHRYJPSPAOF-UHFFFAOYSA-N 1 3 350.532 2.472 20 30 FEEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769207 560964186 /nfs/dbraw/zinc/96/41/86/560964186.db2.gz NSPROWLZRREBCG-XSYGEPLQSA-N 1 3 366.550 2.156 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC000533401527 562507464 /nfs/dbraw/zinc/50/74/64/562507464.db2.gz PNTKABIWQCMNST-UHFFFAOYSA-N 1 3 366.509 2.265 20 30 FEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000602709266 568018575 /nfs/dbraw/zinc/01/85/75/568018575.db2.gz JCWHBMPMHQJUNF-FXAWDEMLSA-N 1 3 357.498 2.442 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Br)s1 ZINC000303774348 673017679 /nfs/dbraw/zinc/01/76/79/673017679.db2.gz FVTXGSGXXFJLDS-LLVKDONJSA-N 1 3 359.337 2.442 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1 ZINC000303975642 673018940 /nfs/dbraw/zinc/01/89/40/673018940.db2.gz JGTBHKQCSFZSNG-AWEZNQCLSA-N 1 3 369.307 2.217 20 30 FEEDHO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000303975525 673019259 /nfs/dbraw/zinc/01/92/59/673019259.db2.gz JDIZHDBQOONTCR-IRXDYDNUSA-N 1 3 353.555 2.048 20 30 FEEDHO C=C(CC[NH+](C)C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000907994760 691595013 /nfs/dbraw/zinc/59/50/13/691595013.db2.gz YSUWXPSBSAHNGL-SFHVURJKSA-N 1 3 353.551 2.214 20 30 FEEDHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761591 540443679 /nfs/dbraw/zinc/44/36/79/540443679.db2.gz AIQVHFOSYHSVPF-INIZCTEOSA-N 1 3 369.513 2.477 20 30 FEEDHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])NC2CCCCCC2)c1 ZINC000092277849 542853297 /nfs/dbraw/zinc/85/32/97/542853297.db2.gz ISMJFAZFHXDQOO-UHFFFAOYSA-N 1 3 359.518 2.105 20 30 FEEDHO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119961876 543674116 /nfs/dbraw/zinc/67/41/16/543674116.db2.gz KDFDOLWKCLVNIQ-UHFFFAOYSA-N 1 3 361.490 2.303 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131785127 544206754 /nfs/dbraw/zinc/20/67/54/544206754.db2.gz PCAVEAPZMFUTDJ-AZUAARDMSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785127 544206756 /nfs/dbraw/zinc/20/67/56/544206756.db2.gz PCAVEAPZMFUTDJ-AZUAARDMSA-N 1 3 353.510 2.358 20 30 FEEDHO CCOCCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000304757419 553747659 /nfs/dbraw/zinc/74/76/59/553747659.db2.gz OVPITPQJGBGKJG-HKUYNNGSSA-N 1 3 362.518 2.409 20 30 FEEDHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330193740 554082280 /nfs/dbraw/zinc/08/22/80/554082280.db2.gz OJKDLUMEDTVYQD-VQIMIIECSA-N 1 3 366.550 2.084 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418436129 559401451 /nfs/dbraw/zinc/40/14/51/559401451.db2.gz WTFZBQKYJDKNPU-MOPGFXCFSA-N 1 3 357.502 2.149 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979332 559516594 /nfs/dbraw/zinc/51/65/94/559516594.db2.gz KKMYAWGHRULHAF-LJQANCHMSA-N 1 3 364.578 2.292 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979332 559516595 /nfs/dbraw/zinc/51/65/95/559516595.db2.gz KKMYAWGHRULHAF-LJQANCHMSA-N 1 3 364.578 2.292 20 30 FEEDHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000540789196 562593184 /nfs/dbraw/zinc/59/31/84/562593184.db2.gz RXBLAVGQMBIVMS-UWJYYQICSA-N 1 3 364.493 2.498 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000303899139 673018442 /nfs/dbraw/zinc/01/84/42/673018442.db2.gz VZOKCUDALREWJH-INIZCTEOSA-N 1 3 365.909 2.447 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001029742524 680391369 /nfs/dbraw/zinc/39/13/69/680391369.db2.gz VTTDGKAAFWDYOR-RVKKMQEKSA-N 1 3 360.527 2.240 20 30 FEEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001029742524 680391374 /nfs/dbraw/zinc/39/13/74/680391374.db2.gz VTTDGKAAFWDYOR-RVKKMQEKSA-N 1 3 360.527 2.240 20 30 FEEDHO C[NH+](C)[C@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722801 686253229 /nfs/dbraw/zinc/25/32/29/686253229.db2.gz FMUMMHRKVPKYAC-MSOLQXFVSA-N 1 3 354.479 2.226 20 30 FEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000876768455 686265013 /nfs/dbraw/zinc/26/50/13/686265013.db2.gz ITTFPTMPONSYAO-QGZVFWFLSA-N 1 3 369.868 2.255 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)Nc2ccccc2N2CCN(CC)CC2)CC1 ZINC000067143434 541424021 /nfs/dbraw/zinc/42/40/21/541424021.db2.gz MMLUWESEFSTMRD-UHFFFAOYSA-N 1 3 354.498 2.112 20 30 FEEDHO COCC[NH+]1CCC(NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180129257 547056990 /nfs/dbraw/zinc/05/69/90/547056990.db2.gz PNGDDIXQTGTRME-UHFFFAOYSA-N 1 3 353.470 2.159 20 30 FEEDHO CCOCCOCc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264124044 549982221 /nfs/dbraw/zinc/98/22/21/549982221.db2.gz VXYNCZBALQXQIO-IBGZPJMESA-N 1 3 362.518 2.128 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)CC1 ZINC000272693636 550465660 /nfs/dbraw/zinc/46/56/60/550465660.db2.gz UVQVEGFVQQSLPW-OAQYLSRUSA-N 1 3 369.509 2.294 20 30 FEEDHO C[NH+](C)CCCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280389319 550988268 /nfs/dbraw/zinc/98/82/68/550988268.db2.gz NHIJZKAXEHAQAK-LJQANCHMSA-N 1 3 368.481 2.200 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123314 553713046 /nfs/dbraw/zinc/71/30/46/553713046.db2.gz VHEATYNNCXPMGS-QGZVFWFLSA-N 1 3 358.490 2.142 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123314 553713047 /nfs/dbraw/zinc/71/30/47/553713047.db2.gz VHEATYNNCXPMGS-QGZVFWFLSA-N 1 3 358.490 2.142 20 30 FEEDHO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CCN(C)[C@@H](C)C3)n2)CC[N@@H+]1C ZINC000333047619 554564510 /nfs/dbraw/zinc/56/45/10/554564510.db2.gz KSALMUADTRWUDU-ATLSCFEFSA-N 1 3 356.518 2.742 20 30 FEEDHO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CCN(C)[C@@H](C)C3)n2)CC[N@H+]1C ZINC000333047619 554564511 /nfs/dbraw/zinc/56/45/11/554564511.db2.gz KSALMUADTRWUDU-ATLSCFEFSA-N 1 3 356.518 2.742 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368417935 556302979 /nfs/dbraw/zinc/30/29/79/556302979.db2.gz VFYAHFORLTUCHT-NZSAHSFTSA-N 1 3 373.497 2.425 20 30 FEEDHO COc1cc(C#N)ccc1OCCN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368417935 556302982 /nfs/dbraw/zinc/30/29/82/556302982.db2.gz VFYAHFORLTUCHT-NZSAHSFTSA-N 1 3 373.497 2.425 20 30 FEEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000376387833 558166686 /nfs/dbraw/zinc/16/66/86/558166686.db2.gz RMJNNMPZRMTQRT-UHFFFAOYSA-N 1 3 361.534 2.174 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000412033449 559004676 /nfs/dbraw/zinc/00/46/76/559004676.db2.gz FDMPVFVLKBVNSW-GOSISDBHSA-N 1 3 351.560 2.361 20 30 FEEDHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000540788203 562593149 /nfs/dbraw/zinc/59/31/49/562593149.db2.gz ASOBKJTXIVINDO-UTKZUKDTSA-N 1 3 364.493 2.498 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000303904466 673019115 /nfs/dbraw/zinc/01/91/15/673019115.db2.gz YTZOYXXZXAYDAY-CQSZACIVSA-N 1 3 357.271 2.477 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000876785226 686268391 /nfs/dbraw/zinc/26/83/91/686268391.db2.gz RBCBUUGEBPTPQE-HNNXBMFYSA-N 1 3 351.882 2.020 20 30 FEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000876904441 686291565 /nfs/dbraw/zinc/29/15/65/686291565.db2.gz YZVVDZAOAHKANK-IRXDYDNUSA-N 1 3 351.878 2.418 20 30 FEEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000123384646 543758906 /nfs/dbraw/zinc/75/89/06/543758906.db2.gz AMSQTLGNNKXSLE-UHFFFAOYSA-N 1 3 374.492 2.243 20 30 FEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000131833271 544208771 /nfs/dbraw/zinc/20/87/71/544208771.db2.gz KKAWOTSCIHOWBI-UHFFFAOYSA-N 1 3 369.416 2.117 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173793993 327284657 /nfs/dbraw/zinc/28/46/57/327284657.db2.gz OZNKSMROTICFMI-LJQANCHMSA-N 1 3 357.502 2.116 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173793993 327284658 /nfs/dbraw/zinc/28/46/58/327284658.db2.gz OZNKSMROTICFMI-LJQANCHMSA-N 1 3 357.502 2.116 20 30 FEEDHO CCN1CCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181491409 547323490 /nfs/dbraw/zinc/32/34/90/547323490.db2.gz XTKDQBFIOOUBAI-UHFFFAOYSA-N 1 3 369.557 2.140 20 30 FEEDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)N(C)CCC#N ZINC000189948274 548313760 /nfs/dbraw/zinc/31/37/60/548313760.db2.gz NBRNFQIJMFRVKR-ROUUACIJSA-N 1 3 356.514 2.495 20 30 FEEDHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000369198182 556533535 /nfs/dbraw/zinc/53/35/35/556533535.db2.gz NBZBJLVFKNAILV-UHFFFAOYSA-N 1 3 369.557 2.486 20 30 FEEDHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000369198182 556533537 /nfs/dbraw/zinc/53/35/37/556533537.db2.gz NBZBJLVFKNAILV-UHFFFAOYSA-N 1 3 369.557 2.486 20 30 FEEDHO C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370695706 556942628 /nfs/dbraw/zinc/94/26/28/556942628.db2.gz CKRJLLVLAFXEOZ-UGKGYDQZSA-N 1 3 369.557 2.494 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000517393239 562088552 /nfs/dbraw/zinc/08/85/52/562088552.db2.gz JTXCTWXYCBEZDD-UHFFFAOYSA-N 1 3 366.550 2.216 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732438 560055503 /nfs/dbraw/zinc/05/55/03/560055503.db2.gz YJPXKBIOQGALJG-CTWPCTMYSA-N 1 3 363.550 2.374 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732438 560055504 /nfs/dbraw/zinc/05/55/04/560055504.db2.gz YJPXKBIOQGALJG-CTWPCTMYSA-N 1 3 363.550 2.374 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602557806 567991358 /nfs/dbraw/zinc/99/13/58/567991358.db2.gz JGANRLKZLFIOJJ-WIYYLYMNSA-N 1 3 357.498 2.312 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557806 567991359 /nfs/dbraw/zinc/99/13/59/567991359.db2.gz JGANRLKZLFIOJJ-WIYYLYMNSA-N 1 3 357.498 2.312 20 30 FEEDHO C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262305342 672913132 /nfs/dbraw/zinc/91/31/32/672913132.db2.gz AJHZDFJMPYBKMH-QZTJIDSGSA-N 1 3 363.575 2.486 20 30 FEEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000884178789 687809222 /nfs/dbraw/zinc/80/92/22/687809222.db2.gz UYBODCGZRCIXPI-BWRBCVJASA-N 1 3 358.511 2.141 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000050029276 540397595 /nfs/dbraw/zinc/39/75/95/540397595.db2.gz NDYQRJVRDXNEAZ-OAQYLSRUSA-N 1 3 355.526 2.401 20 30 FEEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000057126631 540769939 /nfs/dbraw/zinc/76/99/39/540769939.db2.gz GIFLXFYENLQIHT-OAQYLSRUSA-N 1 3 369.509 2.294 20 30 FEEDHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(CC#N)CC2)CC1 ZINC000088717143 542755643 /nfs/dbraw/zinc/75/56/43/542755643.db2.gz VUNITSPGENSJMF-UHFFFAOYSA-N 1 3 355.530 2.296 20 30 FEEDHO C#CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000123861128 543787593 /nfs/dbraw/zinc/78/75/93/543787593.db2.gz MMCPUNRWYFGBSJ-UHFFFAOYSA-N 1 3 365.477 2.280 20 30 FEEDHO COc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1C#N ZINC000266208196 329200694 /nfs/dbraw/zinc/20/06/94/329200694.db2.gz NFNPEKJLKKYAAQ-UHFFFAOYSA-N 1 3 365.481 2.264 20 30 FEEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1 ZINC000188692515 548286116 /nfs/dbraw/zinc/28/61/16/548286116.db2.gz HGJDWVJZUCOHOR-UHFFFAOYSA-N 1 3 374.529 2.419 20 30 FEEDHO C#CCCN1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000363299435 555073520 /nfs/dbraw/zinc/07/35/20/555073520.db2.gz PZWQKELHZQXCIJ-UHFFFAOYSA-N 1 3 354.498 2.210 20 30 FEEDHO CN1CCN(CC2(C)CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000368330768 556280204 /nfs/dbraw/zinc/28/02/04/556280204.db2.gz HKQANPOCZQCUEW-UHFFFAOYSA-N 1 3 356.514 2.287 20 30 FEEDHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519975004 562148355 /nfs/dbraw/zinc/14/83/55/562148355.db2.gz QLEZJODYFWHOQN-KRWDZBQOSA-N 1 3 359.518 2.362 20 30 FEEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000415597672 559254105 /nfs/dbraw/zinc/25/41/05/559254105.db2.gz JNJPEVFIGUFWDN-UONOGXRCSA-N 1 3 364.471 2.026 20 30 FEEDHO C#CCOc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000817971600 675188373 /nfs/dbraw/zinc/18/83/73/675188373.db2.gz FVQVRCXOFVLPEM-RHSMWYFYSA-N 1 3 355.404 2.185 20 30 FEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000591580698 672691770 /nfs/dbraw/zinc/69/17/70/672691770.db2.gz NKZADKGPCFCTNL-DLBZAZTESA-N 1 3 352.404 2.361 20 30 FEEDHO C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998794296 680389736 /nfs/dbraw/zinc/38/97/36/680389736.db2.gz OXOOBPHTTLZTBU-PFSRBDOWSA-N 1 3 358.324 2.204 20 30 FEEDHO C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000998794296 680389739 /nfs/dbraw/zinc/38/97/39/680389739.db2.gz OXOOBPHTTLZTBU-PFSRBDOWSA-N 1 3 358.324 2.204 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000876766463 686263883 /nfs/dbraw/zinc/26/38/83/686263883.db2.gz KSMUZCMMFSLQTH-DOTOQJQBSA-N 1 3 365.905 2.473 20 30 FEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710231 687077200 /nfs/dbraw/zinc/07/72/00/687077200.db2.gz LMLIKDOYMYKGGK-LBPRGKRZSA-N 1 3 353.417 2.230 20 30 FEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710231 687077204 /nfs/dbraw/zinc/07/72/04/687077204.db2.gz LMLIKDOYMYKGGK-LBPRGKRZSA-N 1 3 353.417 2.230 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067361160 541449444 /nfs/dbraw/zinc/44/94/44/541449444.db2.gz CAUOKNLCTOUQBS-HXUWFJFHSA-N 1 3 353.510 2.360 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067361160 541449446 /nfs/dbraw/zinc/44/94/46/541449446.db2.gz CAUOKNLCTOUQBS-HXUWFJFHSA-N 1 3 353.510 2.360 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571511 541968838 /nfs/dbraw/zinc/96/88/38/541968838.db2.gz ZJKUIFCEDZZZEL-HXUWFJFHSA-N 1 3 356.514 2.096 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571511 541968841 /nfs/dbraw/zinc/96/88/41/541968841.db2.gz ZJKUIFCEDZZZEL-HXUWFJFHSA-N 1 3 356.514 2.096 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320626 543103520 /nfs/dbraw/zinc/10/35/20/543103520.db2.gz MPUKMIQXZQYKGE-UHFFFAOYSA-N 1 3 371.529 2.363 20 30 FEEDHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC000105267619 543167182 /nfs/dbraw/zinc/16/71/82/543167182.db2.gz ZIKVDFLVVJWCGT-MRXNPFEDSA-N 1 3 357.502 2.114 20 30 FEEDHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@@H+](C)C1CC1 ZINC000105267619 543167185 /nfs/dbraw/zinc/16/71/85/543167185.db2.gz ZIKVDFLVVJWCGT-MRXNPFEDSA-N 1 3 357.502 2.114 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124467488 543823578 /nfs/dbraw/zinc/82/35/78/543823578.db2.gz VMCGXOOGSQPKNF-XLIONFOSSA-N 1 3 356.514 2.457 20 30 FEEDHO C=CCN1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124467488 543823580 /nfs/dbraw/zinc/82/35/80/543823580.db2.gz VMCGXOOGSQPKNF-XLIONFOSSA-N 1 3 356.514 2.457 20 30 FEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538342 328324645 /nfs/dbraw/zinc/32/46/45/328324645.db2.gz GYTQIBODRBKESN-UHFFFAOYSA-N 1 3 354.498 2.323 20 30 FEEDHO COc1ccccc1CNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000170911473 546181448 /nfs/dbraw/zinc/18/14/48/546181448.db2.gz PWIUZRMPRHASDO-UHFFFAOYSA-N 1 3 356.470 2.240 20 30 FEEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000172185614 546240191 /nfs/dbraw/zinc/24/01/91/546240191.db2.gz BQHRZZPTDXAIGO-PXNSSMCTSA-N 1 3 371.529 2.242 20 30 FEEDHO [NH2+]=C(NCc1cn2ccccc2n1)NC1CCN(Cc2ccccc2)CC1 ZINC000263277424 549891574 /nfs/dbraw/zinc/89/15/74/549891574.db2.gz YWKQTCPFFHYZFH-UHFFFAOYSA-N 1 3 362.481 2.403 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272300377 550435686 /nfs/dbraw/zinc/43/56/86/550435686.db2.gz POOYRJOBGWFPSW-GHTZIAJQSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300377 550435688 /nfs/dbraw/zinc/43/56/88/550435688.db2.gz POOYRJOBGWFPSW-GHTZIAJQSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000296948883 553233777 /nfs/dbraw/zinc/23/37/77/553233777.db2.gz QBMNVKQALSDCMU-HXUWFJFHSA-N 1 3 356.514 2.105 20 30 FEEDHO C#CCN(C)CCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000296948883 553233780 /nfs/dbraw/zinc/23/37/80/553233780.db2.gz QBMNVKQALSDCMU-HXUWFJFHSA-N 1 3 356.514 2.105 20 30 FEEDHO C=CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414490816 559168330 /nfs/dbraw/zinc/16/83/30/559168330.db2.gz YAPSAQKFCSQPOB-UHFFFAOYSA-N 1 3 359.514 2.138 20 30 FEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418712642 559412060 /nfs/dbraw/zinc/41/20/60/559412060.db2.gz GQKAQESKETVGJW-MOPGFXCFSA-N 1 3 357.502 2.149 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979327 559516382 /nfs/dbraw/zinc/51/63/82/559516382.db2.gz KKMYAWGHRULHAF-IBGZPJMESA-N 1 3 364.578 2.292 20 30 FEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979327 559516383 /nfs/dbraw/zinc/51/63/83/559516383.db2.gz KKMYAWGHRULHAF-IBGZPJMESA-N 1 3 364.578 2.292 20 30 FEEDHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000421016800 559519622 /nfs/dbraw/zinc/51/96/22/559519622.db2.gz VCSDCWHYCUHVLH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO CCN1CCC([N@H+]2CCCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000421016800 559519623 /nfs/dbraw/zinc/51/96/23/559519623.db2.gz VCSDCWHYCUHVLH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO CC[NH+]1CCC(N2CCCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000421016800 559519624 /nfs/dbraw/zinc/51/96/24/559519624.db2.gz VCSDCWHYCUHVLH-UHFFFAOYSA-N 1 3 356.514 2.429 20 30 FEEDHO N#Cc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000421327380 559539209 /nfs/dbraw/zinc/53/92/09/559539209.db2.gz PVWZMDULCNHUDN-UHFFFAOYSA-N 1 3 353.445 2.394 20 30 FEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211520 559571722 /nfs/dbraw/zinc/57/17/22/559571722.db2.gz DBGNZZSNRXOJOK-HNNXBMFYSA-N 1 3 363.531 2.177 20 30 FEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211520 559571723 /nfs/dbraw/zinc/57/17/23/559571723.db2.gz DBGNZZSNRXOJOK-HNNXBMFYSA-N 1 3 363.531 2.177 20 30 FEEDHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253310 561021836 /nfs/dbraw/zinc/02/18/36/561021836.db2.gz ATPBWARJPMOWHO-UXHICEINSA-N 1 3 350.466 2.431 20 30 FEEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253310 561021837 /nfs/dbraw/zinc/02/18/37/561021837.db2.gz ATPBWARJPMOWHO-UXHICEINSA-N 1 3 350.466 2.431 20 30 FEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473004834 561040184 /nfs/dbraw/zinc/04/01/84/561040184.db2.gz XUGZKJKCGOHQJA-LJQANCHMSA-N 1 3 366.550 2.169 20 30 FEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008523 562641923 /nfs/dbraw/zinc/64/19/23/562641923.db2.gz BPJGWIVRSJZBNL-LJQANCHMSA-N 1 3 371.529 2.112 20 30 FEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008523 562641924 /nfs/dbraw/zinc/64/19/24/562641924.db2.gz BPJGWIVRSJZBNL-LJQANCHMSA-N 1 3 371.529 2.112 20 30 FEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Br)s1 ZINC000303774351 673017586 /nfs/dbraw/zinc/01/75/86/673017586.db2.gz FVTXGSGXXFJLDS-NSHDSACASA-N 1 3 359.337 2.442 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001034941480 680441303 /nfs/dbraw/zinc/44/13/03/680441303.db2.gz QZGCFQQLCJKMJL-FHLIZLRMSA-N 1 3 360.527 2.431 20 30 FEEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001034941480 680441306 /nfs/dbraw/zinc/44/13/06/680441306.db2.gz QZGCFQQLCJKMJL-FHLIZLRMSA-N 1 3 360.527 2.431 20 30 FEEDHO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1 ZINC000931441125 684283522 /nfs/dbraw/zinc/28/35/22/684283522.db2.gz OFMZKHDBHOIHBN-KGLIPLIRSA-N 1 3 358.511 2.321 20 30 FEEDHO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1 ZINC000931441125 684283525 /nfs/dbraw/zinc/28/35/25/684283525.db2.gz OFMZKHDBHOIHBN-KGLIPLIRSA-N 1 3 358.511 2.321 20 30 FEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000876738516 686257646 /nfs/dbraw/zinc/25/76/46/686257646.db2.gz FSWUQOGMPASHFV-GOSISDBHSA-N 1 3 365.905 2.493 20 30 FEEDHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000876738517 686257839 /nfs/dbraw/zinc/25/78/39/686257839.db2.gz FSWUQOGMPASHFV-SFHVURJKSA-N 1 3 365.905 2.493 20 30 FEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000057174312 540775740 /nfs/dbraw/zinc/77/57/40/540775740.db2.gz XTOTXTLCJRZZKB-UHFFFAOYSA-N 1 3 353.510 2.421 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076389798 542272343 /nfs/dbraw/zinc/27/23/43/542272343.db2.gz JEKFFQYYXLCNQA-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076389798 542272339 /nfs/dbraw/zinc/27/23/39/542272339.db2.gz JEKFFQYYXLCNQA-LJQANCHMSA-N 1 3 353.510 2.455 20 30 FEEDHO C=CCN1CCC(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000171734055 546222392 /nfs/dbraw/zinc/22/23/92/546222392.db2.gz IEFDDCKTQYPCRP-UHFFFAOYSA-N 1 3 374.529 2.467 20 30 FEEDHO CCN(CCC#N)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189955498 548315400 /nfs/dbraw/zinc/31/54/00/548315400.db2.gz AWMMNZZDUBSOII-HTZLVSCSSA-N 1 3 356.514 2.495 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272723 550029267 /nfs/dbraw/zinc/02/92/67/550029267.db2.gz ARIQPXWYALIDMC-WIYYLYMNSA-N 1 3 353.510 2.358 20 30 FEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272723 550029268 /nfs/dbraw/zinc/02/92/68/550029268.db2.gz ARIQPXWYALIDMC-WIYYLYMNSA-N 1 3 353.510 2.358 20 30 FEEDHO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147859 552698465 /nfs/dbraw/zinc/69/84/65/552698465.db2.gz NEANFMYYSNLOKG-NQIIRXRSSA-N 1 3 360.498 2.191 20 30 FEEDHO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000292147859 552698467 /nfs/dbraw/zinc/69/84/67/552698467.db2.gz NEANFMYYSNLOKG-NQIIRXRSSA-N 1 3 360.498 2.191 20 30 FEEDHO CC(C)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000330210280 554085616 /nfs/dbraw/zinc/08/56/16/554085616.db2.gz CGGLIPKSGUUXQY-RTBURBONSA-N 1 3 366.550 2.084 20 30 FEEDHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)ccn1 ZINC000371510113 557204649 /nfs/dbraw/zinc/20/46/49/557204649.db2.gz RROGVBLZCQENSM-OKYOBFRVSA-N 1 3 358.486 2.351 20 30 FEEDHO C=CCOc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414988741 559199133 /nfs/dbraw/zinc/19/91/33/559199133.db2.gz PXWVQYYGBHMAOI-KRWDZBQOSA-N 1 3 373.419 2.186 20 30 FEEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000433341542 559877468 /nfs/dbraw/zinc/87/74/68/559877468.db2.gz IHMLVTYCMJGWGC-OALUTQOASA-N 1 3 355.482 2.376 20 30 FEEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971643 560995611 /nfs/dbraw/zinc/99/56/11/560995611.db2.gz XVHMYLVVQCXGMW-WOJBJXKFSA-N 1 3 368.481 2.200 20 30 FEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000602709272 568018592 /nfs/dbraw/zinc/01/85/92/568018592.db2.gz JCWHBMPMHQJUNF-XLIONFOSSA-N 1 3 357.498 2.442 20 30 FEEDHO C#CCN1CCC(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000808113984 674441776 /nfs/dbraw/zinc/44/17/76/674441776.db2.gz NJVZFFHBNBNOOV-SFHVURJKSA-N 1 3 361.917 2.447 20 30 FEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1 ZINC000304761683 673020663 /nfs/dbraw/zinc/02/06/63/673020663.db2.gz USTRHVNNMZOCMM-MRXNPFEDSA-N 1 3 352.404 2.446 20 30 FEEDHO C[N@@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576338 686861300 /nfs/dbraw/zinc/86/13/00/686861300.db2.gz BLYQCJFVIFVDDR-IIAWOOMASA-N 1 3 354.479 2.499 20 30 FEEDHO C[N@H+]1CC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576338 686861307 /nfs/dbraw/zinc/86/13/07/686861307.db2.gz BLYQCJFVIFVDDR-IIAWOOMASA-N 1 3 354.479 2.499 20 30 FEEDHO