smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139778 /nfs/dbraw/zinc/13/97/78/1013139778.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 2 0 316.514 3.694 20 30 DHEDRP C#CCCC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209268056 1013142931 /nfs/dbraw/zinc/14/29/31/1013142931.db2.gz RLVNWNLVCMDZTQ-UHFFFAOYSA-N 2 0 310.485 3.778 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817684 1014809568 /nfs/dbraw/zinc/80/95/68/1014809568.db2.gz LKEUJQAUIADFEC-HDICACEKSA-N 2 0 316.489 3.709 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891611338 1015446017 /nfs/dbraw/zinc/44/60/17/1015446017.db2.gz KZRZSFUEFBLVBJ-UHFFFAOYSA-N 2 0 305.491 3.564 20 30 DHEDRP C[NH+](C)C1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001168328456 1032298592 /nfs/dbraw/zinc/29/85/92/1032298592.db2.gz HBIWFQHRZWBNKE-UHFFFAOYSA-N 2 0 310.485 3.623 20 30 DHEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000067507099 1017366727 /nfs/dbraw/zinc/36/67/27/1017366727.db2.gz ZDILQHGZYNVWRB-NRFANRHFSA-N 2 0 319.452 3.560 20 30 DHEDRP C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444674379 1017625839 /nfs/dbraw/zinc/62/58/39/1017625839.db2.gz PBZOBQYMTQEOAO-DLBZAZTESA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230153 /nfs/dbraw/zinc/23/01/53/1018230153.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 0 317.502 3.706 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377583 1018567086 /nfs/dbraw/zinc/56/70/86/1018567086.db2.gz YJWOTXDSVJKIOE-UHFFFAOYSA-N 2 0 319.880 3.764 20 30 DHEDRP C=CCCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565226978 1019827973 /nfs/dbraw/zinc/82/79/73/1019827973.db2.gz PSQGMVVMDRMSJH-MJGOQNOKSA-N 2 0 300.446 3.578 20 30 DHEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252135996 1021353735 /nfs/dbraw/zinc/35/37/35/1021353735.db2.gz KVTBPUDKQCYIRS-GOSISDBHSA-N 2 0 300.531 3.810 20 30 DHEDRP C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064465 1032988642 /nfs/dbraw/zinc/98/86/42/1032988642.db2.gz BKLVRPFVKNFJOY-MZADTFQBSA-N 2 0 310.485 3.965 20 30 DHEDRP C#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064467 1032989413 /nfs/dbraw/zinc/98/94/13/1032989413.db2.gz BKLVRPFVKNFJOY-WKCHPHFGSA-N 2 0 310.485 3.965 20 30 DHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136232 1021923802 /nfs/dbraw/zinc/92/38/02/1021923802.db2.gz ZFPGAUMGNJBIBU-FXAWDEMLSA-N 2 0 319.452 3.731 20 30 DHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])c2cccnc2)cc1 ZINC001168838796 1022148253 /nfs/dbraw/zinc/14/82/53/1022148253.db2.gz OKOVIARSRPKFKJ-FQEVSTJZSA-N 2 0 322.456 3.501 20 30 DHEDRP C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728031 1022447452 /nfs/dbraw/zinc/44/74/52/1022447452.db2.gz FRZYTGHPCCJKPM-GUYCJALGSA-N 2 0 314.408 3.659 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000695865961 1023037615 /nfs/dbraw/zinc/03/76/15/1023037615.db2.gz VYGQEWQEKJGIMD-YLJYHZDGSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172296160 1033101743 /nfs/dbraw/zinc/10/17/43/1033101743.db2.gz XQWPYHYGGVNMHR-DYESRHJHSA-N 2 0 321.468 3.772 20 30 DHEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121531 1024179505 /nfs/dbraw/zinc/17/95/05/1024179505.db2.gz MWXFNPDDBDLARJ-HUYLIWGRSA-N 2 0 311.473 3.819 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001172480657 1033192144 /nfs/dbraw/zinc/19/21/44/1033192144.db2.gz WNFWSRSCVIWHDY-BTHPGYMESA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486494 1033197726 /nfs/dbraw/zinc/19/77/26/1033197726.db2.gz FMYYDZNQJYRIND-SZMVWBNQSA-N 2 0 317.452 3.980 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172486131 1033198565 /nfs/dbraw/zinc/19/85/65/1033198565.db2.gz ZDDCGTDNLCZVGW-AFYVEPGGSA-N 2 0 311.473 3.854 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453106324 1024333751 /nfs/dbraw/zinc/33/37/51/1024333751.db2.gz IQUXIXKJWDCGKQ-XUVXKRRUSA-N 2 0 311.473 3.713 20 30 DHEDRP CSc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773707 1024353491 /nfs/dbraw/zinc/35/34/91/1024353491.db2.gz OKRCQVMHHXVWCW-DLBZAZTESA-N 2 0 309.438 3.515 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228368 /nfs/dbraw/zinc/22/83/68/1033228368.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 2 0 311.473 3.523 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001170364835 1024755345 /nfs/dbraw/zinc/75/53/45/1024755345.db2.gz HOFUEFVHMDNEHQ-UHFFFAOYSA-N 2 0 319.452 3.639 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000350561128 1024828490 /nfs/dbraw/zinc/82/84/90/1024828490.db2.gz RIPYSVYCAGXSBZ-YZDRJCRTSA-N 2 0 323.484 3.607 20 30 DHEDRP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135212939 1033265638 /nfs/dbraw/zinc/26/56/38/1033265638.db2.gz DUTMXTTXXFOHIU-UHFFFAOYSA-N 2 0 313.489 3.794 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000809603181 1026572528 /nfs/dbraw/zinc/57/25/28/1026572528.db2.gz LAJQKFIQJDPGPB-UHFFFAOYSA-N 2 0 304.437 3.554 20 30 DHEDRP C[NH+](C)C1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000421871934 1027081735 /nfs/dbraw/zinc/08/17/35/1027081735.db2.gz GIEZUEMVJQIDKC-QLOJAFMTSA-N 2 0 311.473 3.788 20 30 DHEDRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712866 1028221737 /nfs/dbraw/zinc/22/17/37/1028221737.db2.gz NAUZLOOKYQWGOM-ROUUACIJSA-N 2 0 301.478 3.965 20 30 DHEDRP C=CCSCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449133638 1028389777 /nfs/dbraw/zinc/38/97/77/1028389777.db2.gz ZDJVUHODBACEAO-QGZVFWFLSA-N 2 0 318.530 3.591 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449294951 1028517483 /nfs/dbraw/zinc/51/74/83/1028517483.db2.gz OIZIPBQGKRQTRP-HDYDNRTBSA-N 2 0 311.473 3.571 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000449303100 1028525237 /nfs/dbraw/zinc/52/52/37/1028525237.db2.gz WZMCJKFYNKGPER-AVAKVYKDSA-N 2 0 303.494 3.846 20 30 DHEDRP CC1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000373187409 1028969690 /nfs/dbraw/zinc/96/96/90/1028969690.db2.gz MHNGQOZKHZTDLM-DPCKTDSQSA-N 2 0 303.494 3.701 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018901 1029187500 /nfs/dbraw/zinc/18/75/00/1029187500.db2.gz QAMFEMIYOPYMCB-HSALFYBXSA-N 2 0 323.484 3.571 20 30 DHEDRP CCCCCCC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817891804 1029264451 /nfs/dbraw/zinc/26/44/51/1029264451.db2.gz HHNIWTDHOHVOAR-WJFTUGDTSA-N 2 0 310.526 3.730 20 30 DHEDRP C[N@H+](C[C@H]1CC12CC[NH+](CC(C)(C)CCC#N)CC2)C1CC1 ZINC000374284311 1029272192 /nfs/dbraw/zinc/27/21/92/1029272192.db2.gz SVNAEAFIHVPNCQ-MRXNPFEDSA-N 2 0 303.494 3.513 20 30 DHEDRP CCCCCCCCCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC001246407128 1030716369 /nfs/dbraw/zinc/71/63/69/1030716369.db2.gz WQLSFVLRTAUZMW-GOSISDBHSA-N 2 0 311.558 3.918 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000926614842 1030826762 /nfs/dbraw/zinc/82/67/62/1030826762.db2.gz LRMHLNQUDCINRR-RZQVSUQPSA-N 2 0 323.484 3.854 20 30 DHEDRP C[C@H]([NH3+])c1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171181713 1031577010 /nfs/dbraw/zinc/57/70/10/1031577010.db2.gz ALUWJZDXUJYZFX-LBPRGKRZSA-N 2 0 305.381 3.602 20 30 DHEDRP N#CC1(CCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718277 1031589494 /nfs/dbraw/zinc/58/94/94/1031589494.db2.gz DJSLQZHKWVBDRC-SFHVURJKSA-N 2 0 303.494 3.658 20 30 DHEDRP C[NH+]1CCC2(CCC[N@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC000930309998 1031775393 /nfs/dbraw/zinc/77/53/93/1031775393.db2.gz PZEQFDPXSAJOEK-UHFFFAOYSA-N 2 0 303.494 3.658 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173316338 1033710004 /nfs/dbraw/zinc/71/00/04/1033710004.db2.gz GWPZQQJFYMUQMX-UHFFFAOYSA-N 2 0 320.521 3.744 20 30 DHEDRP C=CCOC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318751 1033712180 /nfs/dbraw/zinc/71/21/80/1033712180.db2.gz KIXFLEWKPLBMKM-VHQLZKCGSA-N 2 0 306.494 3.625 20 30 DHEDRP CC1(C#N)CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786589 /nfs/dbraw/zinc/78/65/89/1033786589.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 2 0 323.484 3.523 20 30 DHEDRP C#CC[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001176070156 1035190772 /nfs/dbraw/zinc/19/07/72/1035190772.db2.gz NCVSIZOXIVGRPE-QFIPXVFZSA-N 2 0 324.512 3.676 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541282979 1036283950 /nfs/dbraw/zinc/28/39/50/1036283950.db2.gz ROMNBRHBDBBLNE-UHFFFAOYSA-N 2 0 313.489 3.697 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001183651641 1036642146 /nfs/dbraw/zinc/64/21/46/1036642146.db2.gz HPNSAJWWJNVWBV-CGBFIWBNSA-N 2 0 302.506 3.811 20 30 DHEDRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275947 1036943045 /nfs/dbraw/zinc/94/30/45/1036943045.db2.gz CFGYTWCTMMQECB-VQIMIIECSA-N 2 0 311.473 3.609 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC001199336623 1037240300 /nfs/dbraw/zinc/24/03/00/1037240300.db2.gz SWWDORMHFZGJRR-SFHVURJKSA-N 2 0 313.489 3.919 20 30 DHEDRP CCCCCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201852760 1037909039 /nfs/dbraw/zinc/90/90/39/1037909039.db2.gz KDEUBARIPUKDLQ-UHFFFAOYSA-N 2 0 323.569 3.696 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404488 1039448214 /nfs/dbraw/zinc/44/82/14/1039448214.db2.gz YQPUPFCLRJEBQH-DQLDELGASA-N 2 0 319.452 3.554 20 30 DHEDRP N#CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622491 1040195643 /nfs/dbraw/zinc/19/56/43/1040195643.db2.gz BJCABFMZFTXZNR-SFHVURJKSA-N 2 0 311.473 3.798 20 30 DHEDRP N#CC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623220 1040196349 /nfs/dbraw/zinc/19/63/49/1040196349.db2.gz KFQLSHMISIBURT-SFHVURJKSA-N 2 0 311.473 3.798 20 30 DHEDRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000593320189 1040720204 /nfs/dbraw/zinc/72/02/04/1040720204.db2.gz ACJVACLFQZCAJY-NRFANRHFSA-N 2 0 319.452 3.835 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000602515548 1041066403 /nfs/dbraw/zinc/06/64/03/1041066403.db2.gz PIYZUKLSEVTLKG-ROUUACIJSA-N 2 0 313.489 3.948 20 30 DHEDRP C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192977121 335043143 /nfs/dbraw/zinc/04/31/43/335043143.db2.gz CRJVZNBXBSTZNM-YQQQUEKLSA-N 2 0 316.514 3.691 20 30 DHEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309778940 333196688 /nfs/dbraw/zinc/19/66/88/333196688.db2.gz KDNITOXWBNAZMV-IEBWSBKVSA-N 2 0 313.489 3.817 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415063938 334262314 /nfs/dbraw/zinc/26/23/14/334262314.db2.gz JGQHLNBCDBFJHH-FQEVSTJZSA-N 2 0 310.441 3.821 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000532563567 336255668 /nfs/dbraw/zinc/25/56/68/336255668.db2.gz DFZPKVVLMVODRQ-PKOBYXMFSA-N 2 0 317.452 3.688 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515177 337074947 /nfs/dbraw/zinc/07/49/47/337074947.db2.gz FXHWLNLYEQABJS-ORYQWCPZSA-N 2 0 319.452 3.902 20 30 DHEDRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929333 337080611 /nfs/dbraw/zinc/08/06/11/337080611.db2.gz SLTVNXDZJQTZPZ-HNNXBMFYSA-N 2 0 315.461 3.502 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000185866210 337252051 /nfs/dbraw/zinc/25/20/51/337252051.db2.gz HFTBSUVCAVKFNT-BMHOQUIDSA-N 2 0 303.494 3.701 20 30 DHEDRP N#Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437121 338369414 /nfs/dbraw/zinc/36/94/14/338369414.db2.gz ISRWXWVPQOSGEU-KRWDZBQOSA-N 2 0 317.864 3.662 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000133107428 341154765 /nfs/dbraw/zinc/15/47/65/341154765.db2.gz JILXRODKFQMEHM-UHFFFAOYSA-N 2 0 313.420 3.504 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611306 /nfs/dbraw/zinc/61/13/06/1014611306.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 2 0 313.489 3.792 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442710953 1014720911 /nfs/dbraw/zinc/72/09/11/1014720911.db2.gz REDGSYCQPAVTLW-NSISKUIASA-N 2 0 311.473 3.843 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000106245373 1015180643 /nfs/dbraw/zinc/18/06/43/1015180643.db2.gz LEQSQGKUDUXAOH-UHFFFAOYSA-N 2 0 302.462 3.604 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000896391669 1015569552 /nfs/dbraw/zinc/56/95/52/1015569552.db2.gz MRULMHGZGCEZGA-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000092587882 1032504090 /nfs/dbraw/zinc/50/40/90/1032504090.db2.gz MVPGMPBMKWDVST-GOSISDBHSA-N 2 0 305.510 3.760 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000921514479 1018811292 /nfs/dbraw/zinc/81/12/92/1018811292.db2.gz RRBYOVJURKMIQA-UHFFFAOYSA-N 2 0 307.441 3.527 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083177 1018929158 /nfs/dbraw/zinc/92/91/58/1018929158.db2.gz FWUZRVQYJZFTGT-JXXFODFXSA-N 2 0 311.473 3.503 20 30 DHEDRP N#CC1(CCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000929275003 1019775262 /nfs/dbraw/zinc/77/52/62/1019775262.db2.gz DRVIHTJZVIZOHB-UHFFFAOYSA-N 2 0 303.494 3.658 20 30 DHEDRP C=CCOCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000658206724 1020224314 /nfs/dbraw/zinc/22/43/14/1020224314.db2.gz PLENHKSDLQUGDV-UHFFFAOYSA-N 2 0 316.489 3.612 20 30 DHEDRP C#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781424822 1021367133 /nfs/dbraw/zinc/36/71/33/1021367133.db2.gz ZBGLORPSDIVFRH-QHAWAJNXSA-N 2 0 310.485 3.680 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181866853 1021376498 /nfs/dbraw/zinc/37/64/98/1021376498.db2.gz VIPHDAOSFVVPJN-KRWDZBQOSA-N 2 0 313.489 3.967 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181866873 1021377492 /nfs/dbraw/zinc/37/74/92/1021377492.db2.gz VIPHDAOSFVVPJN-QGZVFWFLSA-N 2 0 313.489 3.967 20 30 DHEDRP C=C(Br)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647900 1021661936 /nfs/dbraw/zinc/66/19/36/1021661936.db2.gz LGXQGGQCCBZKID-HOCLYGCPSA-N 2 0 323.278 3.538 20 30 DHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136585 1021923432 /nfs/dbraw/zinc/92/34/32/1021923432.db2.gz KLXQBNDKJZPKRD-FXAWDEMLSA-N 2 0 319.452 3.731 20 30 DHEDRP C=CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000768552729 1022988811 /nfs/dbraw/zinc/98/88/11/1022988811.db2.gz YILUUDZFDTXBJH-UHFFFAOYSA-N 2 0 302.462 3.558 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000695866006 1023037218 /nfs/dbraw/zinc/03/72/18/1023037218.db2.gz WZVMXZRRXOGLQB-MJGOQNOKSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121533 1024180326 /nfs/dbraw/zinc/18/03/26/1024180326.db2.gz MWXFNPDDBDLARJ-MVJPYGJCSA-N 2 0 311.473 3.819 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453210403 1024402736 /nfs/dbraw/zinc/40/27/36/1024402736.db2.gz JLUTZBVWNCRFRX-ZCNNSNEGSA-N 2 0 323.484 3.713 20 30 DHEDRP Cc1cc(N2CC[NH+]([C@H](C)CCCC#N)CC2)c2ccccc2[nH+]1 ZINC001172494862 1033225907 /nfs/dbraw/zinc/22/59/07/1033225907.db2.gz YSWCUEBMCMTVIZ-QGZVFWFLSA-N 2 0 322.456 3.748 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499494 1033228206 /nfs/dbraw/zinc/22/82/06/1033228206.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 2 0 311.473 3.667 20 30 DHEDRP C/C(N[C@@H]1CC[C@@H](c2ccccc2)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172554854 1033249714 /nfs/dbraw/zinc/24/97/14/1033249714.db2.gz AQCZWOGPYASJFT-NHCUHLMSSA-N 2 0 321.468 3.990 20 30 DHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384784 1025045864 /nfs/dbraw/zinc/04/58/64/1025045864.db2.gz LAHKPRSVZUWUTK-UZLBHIALSA-N 2 0 311.473 3.647 20 30 DHEDRP CCCC[N@H+](C)C[C@H](C)/[NH+]=C\c1ccc(N(CC)CC)cc1O ZINC000809144001 1026461249 /nfs/dbraw/zinc/46/12/49/1026461249.db2.gz ACDFVBBHMGAKHZ-IEOAWGNMSA-N 2 0 319.493 3.778 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000809606969 1026562079 /nfs/dbraw/zinc/56/20/79/1026562079.db2.gz LAJOQTRIGSCWIC-UHFFFAOYSA-N 2 0 306.453 3.800 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624080 1026574646 /nfs/dbraw/zinc/57/46/46/1026574646.db2.gz GEWQIDCPKSKEDS-PGRDOPGGSA-N 2 0 318.464 3.668 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000421321891 1026953371 /nfs/dbraw/zinc/95/33/71/1026953371.db2.gz CPFLLBBHJPMPOS-UHFFFAOYSA-N 2 0 323.415 3.583 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)CC(C)C ZINC000562763711 1027594756 /nfs/dbraw/zinc/59/47/56/1027594756.db2.gz OKPSUXQIIMXROQ-RTBURBONSA-N 2 0 305.510 3.759 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000813878176 1027747383 /nfs/dbraw/zinc/74/73/83/1027747383.db2.gz LEOHQYGGINFWQI-DZGCQCFKSA-N 2 0 310.869 3.666 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000368366392 1028342075 /nfs/dbraw/zinc/34/20/75/1028342075.db2.gz CKFJKLINBUQQLU-VAMGGRTRSA-N 2 0 311.473 3.571 20 30 DHEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCCCC(C)(C)C#N)CC2)C1CC1 ZINC000373117316 1028954856 /nfs/dbraw/zinc/95/48/56/1028954856.db2.gz FIKOMIDFXOGRBZ-QGZVFWFLSA-N 2 0 317.521 3.903 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000567899540 1028968579 /nfs/dbraw/zinc/96/85/79/1028968579.db2.gz CRVMXXWQYDKNOM-UHFFFAOYSA-N 2 0 319.452 3.639 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950599 1029294737 /nfs/dbraw/zinc/29/47/37/1029294737.db2.gz YMSYHOPNJVEJKN-OAQYLSRUSA-N 2 0 319.452 3.617 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817976220 1029313566 /nfs/dbraw/zinc/31/35/66/1029313566.db2.gz WDVHOHTUTUFXCG-CABCVRRESA-N 2 0 310.869 3.986 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000817982230 1029320224 /nfs/dbraw/zinc/32/02/24/1029320224.db2.gz PQIIOWVFNDNLQB-SQWLQELKSA-N 2 0 308.853 3.596 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000817982255 1029321147 /nfs/dbraw/zinc/32/11/47/1029321147.db2.gz QEZUJMDXURONFB-DYESRHJHSA-N 2 0 322.452 3.829 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866231949 1030168560 /nfs/dbraw/zinc/16/85/60/1030168560.db2.gz AVCYQSWRRSVZOK-CVEARBPZSA-N 2 0 315.461 3.569 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000866516060 1030341949 /nfs/dbraw/zinc/34/19/49/1030341949.db2.gz MYKIWSLZMJVNQP-LSJNQWAISA-N 2 0 315.461 3.502 20 30 DHEDRP C=C1CCC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925836353 1030514747 /nfs/dbraw/zinc/51/47/47/1030514747.db2.gz ZWSGXGXIJFBOAI-AZUAARDMSA-N 2 0 312.457 3.578 20 30 DHEDRP C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926529979 1030782064 /nfs/dbraw/zinc/78/20/64/1030782064.db2.gz IOEIESYJBFMHFE-QGZVFWFLSA-N 2 0 322.452 3.611 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001171179919 1031562732 /nfs/dbraw/zinc/56/27/32/1031562732.db2.gz YWVOJKLZUIXBNX-UTKZUKDTSA-N 2 0 321.468 3.772 20 30 DHEDRP CCCC[NH+]1CCC(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171196102 1031662805 /nfs/dbraw/zinc/66/28/05/1031662805.db2.gz XOBLATVZRBQDOH-QGZVFWFLSA-N 2 0 313.489 3.591 20 30 DHEDRP C[C@@H](CCC1CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000361460464 1031934907 /nfs/dbraw/zinc/93/49/07/1031934907.db2.gz XTTDVBXNOWBFPX-INIZCTEOSA-N 2 0 311.473 3.691 20 30 DHEDRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001173110534 1033545112 /nfs/dbraw/zinc/54/51/12/1033545112.db2.gz VLJUJRXJCRVACT-UHFFFAOYSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CCOC1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001173317234 1033710750 /nfs/dbraw/zinc/71/07/50/1033710750.db2.gz SYCDZGJHTXMJRU-KKXNLOMOSA-N 2 0 316.489 3.597 20 30 DHEDRP CC1(C#N)CCC(N2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001173595055 1033780487 /nfs/dbraw/zinc/78/04/87/1033780487.db2.gz KRGULFDUKNSRRH-UHFFFAOYSA-N 2 0 315.505 3.799 20 30 DHEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314750 1036036351 /nfs/dbraw/zinc/03/63/51/1036036351.db2.gz WSFMMBJNWKWTJN-IIBYNOLFSA-N 2 0 319.452 3.655 20 30 DHEDRP N#CC1(CCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689200 1036353205 /nfs/dbraw/zinc/35/32/05/1036353205.db2.gz WTAGVVRFTVPDEP-SFHVURJKSA-N 2 0 303.494 3.801 20 30 DHEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236929 1036530417 /nfs/dbraw/zinc/53/04/17/1036530417.db2.gz VRRAOXBYALIKFR-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCC)CC2)cc1 ZINC000164463525 1038191647 /nfs/dbraw/zinc/19/16/47/1038191647.db2.gz FGCYUIBHPLMUGY-KRWDZBQOSA-N 2 0 314.473 3.614 20 30 DHEDRP C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775412864 1038383339 /nfs/dbraw/zinc/38/33/39/1038383339.db2.gz YSROPAINASQMTC-CQSZACIVSA-N 2 0 310.869 3.940 20 30 DHEDRP C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775412863 1038383466 /nfs/dbraw/zinc/38/34/66/1038383466.db2.gz YSROPAINASQMTC-AWEZNQCLSA-N 2 0 310.869 3.940 20 30 DHEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000591577897 1038937478 /nfs/dbraw/zinc/93/74/78/1038937478.db2.gz ZVRCWBJYARZIKB-VBKZILBWSA-N 2 0 305.425 3.745 20 30 DHEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)CC1 ZINC000929421404 1040676915 /nfs/dbraw/zinc/67/69/15/1040676915.db2.gz HNSKQDRMXVNCQQ-MHJFOBGBSA-N 2 0 317.521 3.760 20 30 DHEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)CC1 ZINC000929421405 1040677826 /nfs/dbraw/zinc/67/78/26/1040677826.db2.gz HNSKQDRMXVNCQQ-SOAGJPPSSA-N 2 0 317.521 3.760 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000602569659 1041099788 /nfs/dbraw/zinc/09/97/88/1041099788.db2.gz RAVAJVCPBLUYLU-KZNAEPCWSA-N 2 0 313.489 3.672 20 30 DHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660272 1041145691 /nfs/dbraw/zinc/14/56/91/1041145691.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 2 0 311.473 3.524 20 30 DHEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284386773 335014710 /nfs/dbraw/zinc/01/47/10/335014710.db2.gz OVAGOSZKFOHOIP-INIZCTEOSA-N 2 0 302.462 3.604 20 30 DHEDRP C=C(C)C[NH+]1CCC(N[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289790630 335065440 /nfs/dbraw/zinc/06/54/40/335065440.db2.gz OJYZFDJEDJAONF-GOSISDBHSA-N 2 0 322.880 3.658 20 30 DHEDRP C=CCN1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000569464035 332094657 /nfs/dbraw/zinc/09/46/57/332094657.db2.gz VAIJOCMQJJSVKZ-AWEZNQCLSA-N 2 0 308.416 3.526 20 30 DHEDRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137672 /nfs/dbraw/zinc/13/76/72/332137672.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 2 0 313.489 3.770 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309672966 333187049 /nfs/dbraw/zinc/18/70/49/333187049.db2.gz UOZPWFVKVOSDCC-IBGZPJMESA-N 2 0 313.489 3.818 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762168 333213746 /nfs/dbraw/zinc/21/37/46/333213746.db2.gz GUUQSFCUIYEOEJ-WOJBJXKFSA-N 2 0 311.473 3.844 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000192783818 333292668 /nfs/dbraw/zinc/29/26/68/333292668.db2.gz HBLBNXLSQSWQAS-SJORKVTESA-N 2 0 317.502 3.632 20 30 DHEDRP C[NH+](C)CCCC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411416020 333666777 /nfs/dbraw/zinc/66/67/77/333666777.db2.gz CGQLCUXYVFGANB-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)CC1CC1 ZINC000353417614 334055440 /nfs/dbraw/zinc/05/54/40/334055440.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 0 313.489 3.770 20 30 DHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000276205127 334075053 /nfs/dbraw/zinc/07/50/53/334075053.db2.gz JWOXCQONDCRMOT-IAGOWNOFSA-N 2 0 313.489 3.672 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278501222 334096929 /nfs/dbraw/zinc/09/69/29/334096929.db2.gz AGOOQNDFMMESSV-PMACEKPBSA-N 2 0 311.473 3.523 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797507 334101270 /nfs/dbraw/zinc/10/12/70/334101270.db2.gz QXPDQFVDIWSTKJ-FRYIKTPZSA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204292 335565467 /nfs/dbraw/zinc/56/54/67/335565467.db2.gz GIKCUEAJHDOSSD-AEFFLSMTSA-N 2 0 305.510 3.949 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000532563498 336255597 /nfs/dbraw/zinc/25/55/97/336255597.db2.gz DFZPKVVLMVODRQ-HKUYNNGSSA-N 2 0 317.452 3.688 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000378476355 337073709 /nfs/dbraw/zinc/07/37/09/337073709.db2.gz RYBGWRKQEJNDNT-WDSOQIARSA-N 2 0 318.509 3.528 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000378476356 337073718 /nfs/dbraw/zinc/07/37/18/337073718.db2.gz RYBGWRKQEJNDNT-YTQUADARSA-N 2 0 318.509 3.528 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423099519 337699302 /nfs/dbraw/zinc/69/93/02/337699302.db2.gz FIRNOECBBMRLFF-XUVXKRRUSA-N 2 0 314.473 3.652 20 30 DHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507019 337723741 /nfs/dbraw/zinc/72/37/41/337723741.db2.gz JJTHXOJXRRPMCW-WOJBJXKFSA-N 2 0 305.425 3.615 20 30 DHEDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522642 337724541 /nfs/dbraw/zinc/72/45/41/337724541.db2.gz VCKZHXSAGZVHJU-IFXJQAMLSA-N 2 0 311.404 3.828 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000537648931 337953205 /nfs/dbraw/zinc/95/32/05/337953205.db2.gz NQBZWKXCZUFNHY-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000436284476 338265312 /nfs/dbraw/zinc/26/53/12/338265312.db2.gz BACPGWCJWDWZGF-LFGUQSLTSA-N 2 0 320.521 3.600 20 30 DHEDRP CCC[NH+]1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438178 338369465 /nfs/dbraw/zinc/36/94/65/338369465.db2.gz JYGWUGSDSZKKEQ-UHFFFAOYSA-N 2 0 305.853 3.518 20 30 DHEDRP C=CCOCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000470771784 339327476 /nfs/dbraw/zinc/32/74/76/339327476.db2.gz HFCGELQISQAQDK-GOSISDBHSA-N 2 0 308.510 3.556 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000248624145 341381881 /nfs/dbraw/zinc/38/18/81/341381881.db2.gz CGEQOYSKNBRAIC-RZQQEMMASA-N 2 0 307.441 3.900 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000181696773 520257979 /nfs/dbraw/zinc/25/79/79/520257979.db2.gz YBUBBHNPVMFDNV-MRXNPFEDSA-N 2 0 307.441 3.861 20 30 DHEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221267 525440150 /nfs/dbraw/zinc/44/01/50/525440150.db2.gz CRLWNFHPVLSASE-OXQOHEQNSA-N 2 0 319.452 3.798 20 30 DHEDRP CC[N@H+](Cc1csc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455719 1013374548 /nfs/dbraw/zinc/37/45/48/1013374548.db2.gz IPDILFGJXYIUDY-UHFFFAOYSA-N 2 0 313.470 3.703 20 30 DHEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442648920 1014710100 /nfs/dbraw/zinc/71/01/00/1014710100.db2.gz MKSSBCDDVSVRMO-VQTJNVASSA-N 2 0 311.473 3.700 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000176943160 1017058975 /nfs/dbraw/zinc/05/89/75/1017058975.db2.gz NYNKPCYAMMMSHG-UHFFFAOYSA-N 2 0 311.454 3.505 20 30 DHEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944536 1032405579 /nfs/dbraw/zinc/40/55/79/1032405579.db2.gz KNCLPXYJEWCKSI-TZIWHRDSSA-N 2 0 312.501 3.885 20 30 DHEDRP C=CCOc1cccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000516993167 1012883393 /nfs/dbraw/zinc/88/33/93/1012883393.db2.gz PJQALVCSNVXJMR-GOSISDBHSA-N 2 0 304.478 3.707 20 30 DHEDRP C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444674381 1017623604 /nfs/dbraw/zinc/62/36/04/1017623604.db2.gz PBZOBQYMTQEOAO-IRXDYDNUSA-N 2 0 305.510 3.949 20 30 DHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000658168556 1018201522 /nfs/dbraw/zinc/20/15/22/1018201522.db2.gz XOFGLSDPDOIMRF-HXUWFJFHSA-N 2 0 313.489 3.628 20 30 DHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000340472477 1018698798 /nfs/dbraw/zinc/69/87/98/1018698798.db2.gz CFUUZVPFNMWUDE-OAHLLOKOSA-N 2 0 303.425 3.614 20 30 DHEDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390974 1019465972 /nfs/dbraw/zinc/46/59/72/1019465972.db2.gz YKFPADYTQCYJBH-OAQYLSRUSA-N 2 0 319.452 3.787 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391911 1019466375 /nfs/dbraw/zinc/46/63/75/1019466375.db2.gz DWBUPCJEEWMMKV-YLJYHZDGSA-N 2 0 311.473 3.646 20 30 DHEDRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390372 1019474517 /nfs/dbraw/zinc/47/45/17/1019474517.db2.gz WNVJZPHCMRKLBN-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668422 1019774781 /nfs/dbraw/zinc/77/47/81/1019774781.db2.gz BUYDGBKBQAISKZ-UHFFFAOYSA-N 2 0 307.441 3.688 20 30 DHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000065976511 1020615474 /nfs/dbraw/zinc/61/54/74/1020615474.db2.gz YZKKUZSKNYSDCW-UHFFFAOYSA-N 2 0 307.441 3.688 20 30 DHEDRP C=C1C[C@@H]2CC([NH2+]CC3CN(Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000716276203 1020843054 /nfs/dbraw/zinc/84/30/54/1020843054.db2.gz HTQZUQNQIALQHG-PMSBKCLSSA-N 2 0 310.485 3.843 20 30 DHEDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174649 1020963350 /nfs/dbraw/zinc/96/33/50/1020963350.db2.gz GQZZHKNYHGCWJL-UZLBHIALSA-N 2 0 311.473 3.647 20 30 DHEDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174644 1020963406 /nfs/dbraw/zinc/96/34/06/1020963406.db2.gz GQZZHKNYHGCWJL-OXJNMPFZSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181513484 1021220763 /nfs/dbraw/zinc/22/07/63/1021220763.db2.gz NEIUCLSQZXIKGU-KURKYZTESA-N 2 0 313.489 3.967 20 30 DHEDRP CCC[NH+]1CCC(/[NH+]=C\c2ccc(N(CC)CC)cc2O)CC1 ZINC000743334333 1021261222 /nfs/dbraw/zinc/26/12/22/1021261222.db2.gz USGUBSJYCWDLSE-HKWRFOASSA-N 2 0 317.477 3.532 20 30 DHEDRP CCCCCCCC[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252136631 1021353567 /nfs/dbraw/zinc/35/35/67/1021353567.db2.gz SJCSHXQDWCTLOU-IBGZPJMESA-N 2 0 312.542 3.808 20 30 DHEDRP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1ccc(C#N)cc1 ZINC000365731823 1021965406 /nfs/dbraw/zinc/96/54/06/1021965406.db2.gz CWAORUIZPRZDSY-QZTJIDSGSA-N 2 0 308.429 3.682 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001172300870 1033072914 /nfs/dbraw/zinc/07/29/14/1033072914.db2.gz IKKWMFCXZXVSMP-BPAFIMBUSA-N 2 0 313.489 3.623 20 30 DHEDRP CC(C)C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304132 1033075872 /nfs/dbraw/zinc/07/58/72/1033075872.db2.gz HOTSAFRIWJFAJJ-VDGAXYAQSA-N 2 0 313.489 3.717 20 30 DHEDRP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121545 1024179909 /nfs/dbraw/zinc/17/99/09/1024179909.db2.gz NDOBCDZMEWTWDI-XLNTUCKNSA-N 2 0 311.473 3.819 20 30 DHEDRP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121534 1024180518 /nfs/dbraw/zinc/18/05/18/1024180518.db2.gz MWXFNPDDBDLARJ-XLNTUCKNSA-N 2 0 311.473 3.819 20 30 DHEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172490799 1033223568 /nfs/dbraw/zinc/22/35/68/1033223568.db2.gz AOTKFDCCPQKZRU-OAHLLOKOSA-N 2 0 319.880 3.758 20 30 DHEDRP Cc1cc(N2CC[NH+]([C@@H](C)CCCC#N)CC2)c2ccccc2[nH+]1 ZINC001172494861 1033225075 /nfs/dbraw/zinc/22/50/75/1033225075.db2.gz YSWCUEBMCMTVIZ-KRWDZBQOSA-N 2 0 322.456 3.748 20 30 DHEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172490797 1033223679 /nfs/dbraw/zinc/22/36/79/1033223679.db2.gz AOTKFDCCPQKZRU-HNNXBMFYSA-N 2 0 319.880 3.758 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172499146 1033229244 /nfs/dbraw/zinc/22/92/44/1033229244.db2.gz BAZIBOTVKNDDLF-SFHVURJKSA-N 2 0 313.489 3.913 20 30 DHEDRP CCCCCCC[C@H](CCC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172500658 1033229398 /nfs/dbraw/zinc/22/93/98/1033229398.db2.gz BYCOLKADUVOTNW-IBGZPJMESA-N 2 0 312.542 3.810 20 30 DHEDRP CCCCCCC[C@@H](CCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172508490 1033237782 /nfs/dbraw/zinc/23/77/82/1033237782.db2.gz KYUGLJBYPSSBES-LJQANCHMSA-N 2 0 311.558 3.872 20 30 DHEDRP C/C(N[C@H]1CC[C@@H](c2ccccc2)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172554855 1033250756 /nfs/dbraw/zinc/25/07/56/1033250756.db2.gz AQCZWOGPYASJFT-RTWAWAEBSA-N 2 0 321.468 3.990 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384899 1025052055 /nfs/dbraw/zinc/05/20/55/1025052055.db2.gz LSBUPTUQSQQKOL-UZLBHIALSA-N 2 0 311.473 3.790 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886650375 1025764119 /nfs/dbraw/zinc/76/41/19/1025764119.db2.gz VHMQERGFQNNYAW-ZONLJJFTSA-N 2 0 322.496 3.821 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025790933 /nfs/dbraw/zinc/79/09/33/1025790933.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 2 0 313.489 3.792 20 30 DHEDRP C#Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552352 /nfs/dbraw/zinc/55/23/52/1026552352.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 2 0 318.464 3.622 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422997904 1027387296 /nfs/dbraw/zinc/38/72/96/1027387296.db2.gz PCTVNZFNYVQWAT-KXBFYZLASA-N 2 0 308.429 3.544 20 30 DHEDRP C=CCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004892 1027388953 /nfs/dbraw/zinc/38/89/53/1027388953.db2.gz QENFONUPCLUZRQ-MLGOLLRUSA-N 2 0 312.379 3.910 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423132230 1027426139 /nfs/dbraw/zinc/42/61/39/1027426139.db2.gz OXAXFEQHDCZWEX-UZLBHIALSA-N 2 0 322.456 3.935 20 30 DHEDRP C[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671809 1028514575 /nfs/dbraw/zinc/51/45/75/1028514575.db2.gz JQYQOJSWEAQCKV-GDBMZVCRSA-N 2 0 305.491 3.660 20 30 DHEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449546474 1028762244 /nfs/dbraw/zinc/76/22/44/1028762244.db2.gz CFGRGYGRJNMPJO-MSOLQXFVSA-N 2 0 322.537 3.989 20 30 DHEDRP N#CC1(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315876 1029098983 /nfs/dbraw/zinc/09/89/83/1029098983.db2.gz VMUCWTIXABSMMK-GOSISDBHSA-N 2 0 303.494 3.658 20 30 DHEDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817981998 1029319544 /nfs/dbraw/zinc/31/95/44/1029319544.db2.gz ARIGTQYZAAJVIY-OXJNMPFZSA-N 2 0 323.440 3.720 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000817982258 1029321176 /nfs/dbraw/zinc/32/11/76/1029321176.db2.gz QEZUJMDXURONFB-UWJYYQICSA-N 2 0 322.452 3.829 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCCCN1CC[NH2+]CC1 ZINC001246087703 1029754620 /nfs/dbraw/zinc/75/46/20/1029754620.db2.gz HGSXTALXSXFCOG-LJQANCHMSA-N 2 0 311.558 3.791 20 30 DHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924660180 1030154319 /nfs/dbraw/zinc/15/43/19/1030154319.db2.gz XHRBFLOPYNGPDS-INIZCTEOSA-N 2 0 301.478 3.945 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1F ZINC000927036967 1031046078 /nfs/dbraw/zinc/04/60/78/1031046078.db2.gz HLPSMAUEGWFYED-ICXUMSERSA-N 2 0 315.436 3.755 20 30 DHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000293572504 1031520623 /nfs/dbraw/zinc/52/06/23/1031520623.db2.gz BJTCCVFHEYGSSJ-OAHLLOKOSA-N 2 0 303.425 3.614 20 30 DHEDRP N#CCC1CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001173336262 1033690562 /nfs/dbraw/zinc/69/05/62/1033690562.db2.gz UGOYBAOVQPCPRP-UHFFFAOYSA-N 2 0 315.505 3.799 20 30 DHEDRP C=CCOC1CCC([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001173319678 1033712608 /nfs/dbraw/zinc/71/26/08/1033712608.db2.gz RFQWLLACGKJXIA-CRIGQSRLSA-N 2 0 308.510 3.743 20 30 DHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176956954 1034123153 /nfs/dbraw/zinc/12/31/53/1034123153.db2.gz HTZXGVQWFCBZMK-UHFFFAOYSA-N 2 0 313.470 3.750 20 30 DHEDRP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035873927 /nfs/dbraw/zinc/87/39/27/1035873927.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 2 0 302.462 3.556 20 30 DHEDRP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875891 /nfs/dbraw/zinc/87/58/91/1035875891.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 2 0 302.462 3.556 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000668552337 1035978600 /nfs/dbraw/zinc/97/86/00/1035978600.db2.gz JFZLGDUSSZMHFL-HKUYNNGSSA-N 2 0 320.521 3.744 20 30 DHEDRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708418 1036135276 /nfs/dbraw/zinc/13/52/76/1036135276.db2.gz SBFCCCXBBVVVJZ-CXAGYDPISA-N 2 0 305.441 3.714 20 30 DHEDRP CC(C)(C#N)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000594503725 1039804852 /nfs/dbraw/zinc/80/48/52/1039804852.db2.gz IOLAPUYYZIVHON-UHFFFAOYSA-N 2 0 313.489 3.699 20 30 DHEDRP CC(C)(C#N)CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509905 1040158106 /nfs/dbraw/zinc/15/81/06/1040158106.db2.gz YPOXBOCOCQGTPV-UHFFFAOYSA-N 2 0 313.489 3.961 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000152994154 332331948 /nfs/dbraw/zinc/33/19/48/332331948.db2.gz DCWMIEFXLDBWNL-OAHLLOKOSA-N 2 0 317.433 3.594 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174278766 333084567 /nfs/dbraw/zinc/08/45/67/333084567.db2.gz QLSHVTZHCYASKT-UHFFFAOYSA-N 2 0 301.478 3.948 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000361463366 336757573 /nfs/dbraw/zinc/75/75/73/336757573.db2.gz FQUKEUYLQKUQKN-YLJYHZDGSA-N 2 0 311.473 3.844 20 30 DHEDRP C=C(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036115 337696492 /nfs/dbraw/zinc/69/64/92/337696492.db2.gz ZXCUPQDJFSGNNJ-FPOVZHCZSA-N 2 0 320.436 3.545 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423099516 337699387 /nfs/dbraw/zinc/69/93/87/337699387.db2.gz FIRNOECBBMRLFF-HSALFYBXSA-N 2 0 314.473 3.652 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000436284474 338265354 /nfs/dbraw/zinc/26/53/54/338265354.db2.gz BACPGWCJWDWZGF-HNJRGHQBSA-N 2 0 320.521 3.600 20 30 DHEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094964 338593063 /nfs/dbraw/zinc/59/30/63/338593063.db2.gz VGVLGJRRCVHKGL-XNYRCJLNSA-N 2 0 305.510 3.805 20 30 DHEDRP CC1(C#N)CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000449223303 338603946 /nfs/dbraw/zinc/60/39/46/338603946.db2.gz XOUTXVYPBAKAEQ-UHFFFAOYSA-N 2 0 311.473 3.844 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000503924137 340137076 /nfs/dbraw/zinc/13/70/76/340137076.db2.gz DCHFLPQSDPMNEJ-UHFFFAOYSA-N 2 0 322.880 3.726 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000512415863 340361145 /nfs/dbraw/zinc/36/11/45/340361145.db2.gz PMNZTZCZTSUQRC-UHFFFAOYSA-N 2 0 317.452 3.641 20 30 DHEDRP C=CCCCCCCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001209439791 1013283403 /nfs/dbraw/zinc/28/34/03/1013283403.db2.gz ZGAGZKGEDSRTNF-UHFFFAOYSA-N 2 0 323.569 3.863 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177686850 1013979221 /nfs/dbraw/zinc/97/92/21/1013979221.db2.gz QOBMIASRGHLYHS-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP CC[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000581166822 1014598636 /nfs/dbraw/zinc/59/86/36/1014598636.db2.gz YVMGJVPTKPHHPN-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000442790430 1014735504 /nfs/dbraw/zinc/73/55/04/1014735504.db2.gz GJDCIONIEOVHLE-YLJYHZDGSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318357 1014793872 /nfs/dbraw/zinc/79/38/72/1014793872.db2.gz YNQHMYIGVHPGGK-UTKZUKDTSA-N 2 0 319.452 3.558 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000106245119 1015180838 /nfs/dbraw/zinc/18/08/38/1015180838.db2.gz KTLRZEVQWMBDOE-UHFFFAOYSA-N 2 0 324.472 3.515 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186170944 1017037053 /nfs/dbraw/zinc/03/70/53/1017037053.db2.gz DYZXAFLDDJLQBN-UHFFFAOYSA-N 2 0 313.489 3.811 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424324907 1011982025 /nfs/dbraw/zinc/98/20/25/1011982025.db2.gz KKEGMVQRNMBLQN-NXNFSMPISA-N 2 0 323.484 3.569 20 30 DHEDRP C=CCOc1ccc(C[N@@H+](CCn2ccnc2)C(C)(C)C)cc1 ZINC000179466737 1012687142 /nfs/dbraw/zinc/68/71/42/1012687142.db2.gz IPYSCLWRCKLERH-UHFFFAOYSA-N 2 0 313.445 3.749 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921511153 1018356764 /nfs/dbraw/zinc/35/67/64/1018356764.db2.gz CFJVLCAEXRIBLH-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278220636 1018395115 /nfs/dbraw/zinc/39/51/15/1018395115.db2.gz JAHZPMKGLCVOOM-HXUWFJFHSA-N 2 0 307.441 3.861 20 30 DHEDRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278220630 1018396124 /nfs/dbraw/zinc/39/61/24/1018396124.db2.gz JAHZPMKGLCVOOM-FQEVSTJZSA-N 2 0 307.441 3.861 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921514426 1018810343 /nfs/dbraw/zinc/81/03/43/1018810343.db2.gz YWQFBYJQRVPTPI-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP C=C(C)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000681401510 1019576140 /nfs/dbraw/zinc/57/61/40/1019576140.db2.gz XOMATKDGYZUNLT-SCLBCKFNSA-N 2 0 308.416 3.902 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569855 1020209168 /nfs/dbraw/zinc/20/91/68/1020209168.db2.gz BCCZSODZKWCXEA-UWJYYQICSA-N 2 0 319.452 3.873 20 30 DHEDRP C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569852 1020209372 /nfs/dbraw/zinc/20/93/72/1020209372.db2.gz BCCZSODZKWCXEA-DYESRHJHSA-N 2 0 319.452 3.873 20 30 DHEDRP C[C@@H](NCC#Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205325 1020341897 /nfs/dbraw/zinc/34/18/97/1020341897.db2.gz CSMDFEPETLPJTK-KNQAVFIVSA-N 2 0 318.464 3.538 20 30 DHEDRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000283010976 1020378303 /nfs/dbraw/zinc/37/83/03/1020378303.db2.gz OTKUTMHSHYMHMH-IBGZPJMESA-N 2 0 323.440 3.542 20 30 DHEDRP C[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1cccc(C#N)c1 ZINC000612185556 1020388811 /nfs/dbraw/zinc/38/88/11/1020388811.db2.gz MBEHCTVVRHMUTK-ZDUSSCGKSA-N 2 0 308.410 3.656 20 30 DHEDRP CC1(C)C[C@H](NCC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964903 1032932588 /nfs/dbraw/zinc/93/25/88/1032932588.db2.gz NIQPSMUYSULQLC-GOSISDBHSA-N 2 0 311.473 3.713 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000695866007 1023036513 /nfs/dbraw/zinc/03/65/13/1023036513.db2.gz WZVMXZRRXOGLQB-PKOBYXMFSA-N 2 0 313.489 3.817 20 30 DHEDRP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173139 1024269348 /nfs/dbraw/zinc/26/93/48/1024269348.db2.gz CSNPYLIDWKVNCB-IPMKNSEASA-N 2 0 314.473 3.617 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453210400 1024402205 /nfs/dbraw/zinc/40/22/05/1024402205.db2.gz JLUTZBVWNCRFRX-VAMGGRTRSA-N 2 0 323.484 3.713 20 30 DHEDRP CCCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000792269881 1024657687 /nfs/dbraw/zinc/65/76/87/1024657687.db2.gz XXRITNWWDHQDLJ-UXHICEINSA-N 2 0 323.569 3.695 20 30 DHEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000809611370 1026563085 /nfs/dbraw/zinc/56/30/85/1026563085.db2.gz ACBYNCRYUUYNRN-UHFFFAOYSA-N 2 0 324.493 3.731 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422997901 1027386602 /nfs/dbraw/zinc/38/66/02/1027386602.db2.gz PCTVNZFNYVQWAT-BEFAXECRSA-N 2 0 308.429 3.544 20 30 DHEDRP C=C(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036114 1027401095 /nfs/dbraw/zinc/40/10/95/1027401095.db2.gz ZXCUPQDJFSGNNJ-CTNGQTDRSA-N 2 0 320.436 3.545 20 30 DHEDRP C=C(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036117 1027401472 /nfs/dbraw/zinc/40/14/72/1027401472.db2.gz ZXCUPQDJFSGNNJ-TZIWHRDSSA-N 2 0 320.436 3.545 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423490727 1027571284 /nfs/dbraw/zinc/57/12/84/1027571284.db2.gz YCTGTAVNYNMFHZ-XEVCZEQESA-N 2 0 311.473 3.512 20 30 DHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082203 1028349777 /nfs/dbraw/zinc/34/97/77/1028349777.db2.gz LMHHAXNQORZDDB-LPOKXYRGSA-N 2 0 305.510 3.807 20 30 DHEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000370003316 1028552267 /nfs/dbraw/zinc/55/22/67/1028552267.db2.gz ZUMFLMFZFHUIHJ-SFHVURJKSA-N 2 0 305.510 3.760 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566807166 1028783390 /nfs/dbraw/zinc/78/33/90/1028783390.db2.gz FZVZDMMJLIILCR-MOPGFXCFSA-N 2 0 305.425 3.585 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566807168 1028784164 /nfs/dbraw/zinc/78/41/64/1028784164.db2.gz FZVZDMMJLIILCR-RBUKOAKNSA-N 2 0 305.425 3.585 20 30 DHEDRP C=CCCCCC[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000373240504 1028984501 /nfs/dbraw/zinc/98/45/01/1028984501.db2.gz DDKVZRCZCUWEOC-UHFFFAOYSA-N 2 0 315.505 3.767 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000817968457 1029306604 /nfs/dbraw/zinc/30/66/04/1029306604.db2.gz JNZADWXGWSTXHM-GOEBONIOSA-N 2 0 308.853 3.611 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817976223 1029312862 /nfs/dbraw/zinc/31/28/62/1029312862.db2.gz WDVHOHTUTUFXCG-GJZGRUSLSA-N 2 0 310.869 3.986 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817976227 1029314099 /nfs/dbraw/zinc/31/40/99/1029314099.db2.gz WDVHOHTUTUFXCG-LSDHHAIUSA-N 2 0 310.869 3.986 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000817982257 1029319412 /nfs/dbraw/zinc/31/94/12/1029319412.db2.gz QEZUJMDXURONFB-UTKZUKDTSA-N 2 0 322.452 3.829 20 30 DHEDRP N#C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866470608 1030310123 /nfs/dbraw/zinc/31/01/23/1030310123.db2.gz VQDJHLAPLXJQKG-PMACEKPBSA-N 2 0 311.473 3.571 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000866467655 1030311053 /nfs/dbraw/zinc/31/10/53/1030311053.db2.gz MVNYOHWCYNRMOR-OAHLLOKOSA-N 2 0 317.452 3.858 20 30 DHEDRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000866517099 1030341351 /nfs/dbraw/zinc/34/13/51/1030341351.db2.gz WNHUAWZKAIXYSL-SKINQDTJSA-N 2 0 311.473 3.788 20 30 DHEDRP C=C1CCC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925836355 1030513761 /nfs/dbraw/zinc/51/37/61/1030513761.db2.gz ZWSGXGXIJFBOAI-QUCCMNQESA-N 2 0 312.457 3.578 20 30 DHEDRP C=CCC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccco1 ZINC000925886213 1030535031 /nfs/dbraw/zinc/53/50/31/1030535031.db2.gz DGGZZTMOHYDOEB-GGPKGHCWSA-N 2 0 310.441 3.936 20 30 DHEDRP C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312924 1030693400 /nfs/dbraw/zinc/69/34/00/1030693400.db2.gz CCCSGZIXSAUUFO-QVKFZJNVSA-N 2 0 319.452 3.958 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248756626 1030766580 /nfs/dbraw/zinc/76/65/80/1030766580.db2.gz GGMIWYUZHYEQEB-RZQVSUQPSA-N 2 0 323.484 3.854 20 30 DHEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663458 1031512185 /nfs/dbraw/zinc/51/21/85/1031512185.db2.gz JQVNHHANLGFWGK-QWFCFKBJSA-N 2 0 311.473 3.788 20 30 DHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001171179918 1031563517 /nfs/dbraw/zinc/56/35/17/1031563517.db2.gz YWVOJKLZUIXBNX-LAUBAEHRSA-N 2 0 321.468 3.772 20 30 DHEDRP [NH2+]=C(Nc1cccc2c1CC[C@@H]2[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171181792 1031578547 /nfs/dbraw/zinc/57/85/47/1031578547.db2.gz CAGAQPHISGBLQF-SFHVURJKSA-N 2 0 317.392 3.528 20 30 DHEDRP CN(Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930090035 1031697421 /nfs/dbraw/zinc/69/74/21/1031697421.db2.gz KRAASGNATQYGNY-UHFFFAOYSA-N 2 0 313.489 3.817 20 30 DHEDRP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908929 1033503477 /nfs/dbraw/zinc/50/34/77/1033503477.db2.gz SZQFPJHEFGNXON-UHFFFAOYSA-N 2 0 322.456 3.518 20 30 DHEDRP Cc1ccc(NC(=[NH2+])NCCCCCCC[NH+](C)C)cc1C ZINC000104180988 1033654032 /nfs/dbraw/zinc/65/40/32/1033654032.db2.gz QTNUDYHCZUSFEX-UHFFFAOYSA-N 2 0 304.482 3.542 20 30 DHEDRP C=CCOC1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173316156 1033708723 /nfs/dbraw/zinc/70/87/23/1033708723.db2.gz XOADGCCOLWQWRN-FLAMNCDFSA-N 2 0 308.510 3.634 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519693 1034083448 /nfs/dbraw/zinc/08/34/48/1034083448.db2.gz QFGHJEFYNCSHRM-MJCUULBUSA-N 2 0 323.484 3.569 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176949862 1034122266 /nfs/dbraw/zinc/12/22/66/1034122266.db2.gz QHGBPHUNFHJOGR-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP Cc1cc(C)[nH+]c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000183224660 1034361988 /nfs/dbraw/zinc/36/19/88/1034361988.db2.gz UYHRFOWYAASMDF-UHFFFAOYSA-N 2 0 320.440 3.647 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)CC1CC1 ZINC000559147043 1034960982 /nfs/dbraw/zinc/96/09/82/1034960982.db2.gz RFELCKQZYOFMRQ-RTBURBONSA-N 2 0 303.494 3.513 20 30 DHEDRP CC(C)(C#N)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000903101389 1035280860 /nfs/dbraw/zinc/28/08/60/1035280860.db2.gz GVPMCZANISAZRK-IPMKNSEASA-N 2 0 311.473 3.569 20 30 DHEDRP C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000539688376 1035826301 /nfs/dbraw/zinc/82/63/01/1035826301.db2.gz GWTXRAUGSMWJDI-CVEARBPZSA-N 2 0 316.493 3.625 20 30 DHEDRP C#C[C@@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558829 1036285861 /nfs/dbraw/zinc/28/58/61/1036285861.db2.gz QUPLHRFNOWDSNL-HXUWFJFHSA-N 2 0 324.512 3.676 20 30 DHEDRP C=CCCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310202 /nfs/dbraw/zinc/31/02/02/1036310202.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 2 0 316.489 3.694 20 30 DHEDRP C=CCCCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000487874410 1036758667 /nfs/dbraw/zinc/75/86/67/1036758667.db2.gz FFLJNZKNLMTNPV-QZTJIDSGSA-N 2 0 308.510 3.554 20 30 DHEDRP CCCCCCC[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001201798131 1037895222 /nfs/dbraw/zinc/89/52/22/1037895222.db2.gz PPTBLBMOXXUGDZ-UHFFFAOYSA-N 2 0 311.558 3.696 20 30 DHEDRP CCCCCCCCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001201875407 1037928003 /nfs/dbraw/zinc/92/80/03/1037928003.db2.gz YMYROLIXRGEGFN-UHFFFAOYSA-N 2 0 311.558 3.696 20 30 DHEDRP C(#CC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1)c1ccccc1 ZINC001168388284 1038453362 /nfs/dbraw/zinc/45/33/62/1038453362.db2.gz DCARHLNKQXJBCW-UHFFFAOYSA-N 2 0 322.496 3.625 20 30 DHEDRP N#Cc1ccc(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168388663 1038456616 /nfs/dbraw/zinc/45/66/16/1038456616.db2.gz DYBKOMYPAOFZTO-UHFFFAOYSA-N 2 0 323.484 3.612 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582336 1038940090 /nfs/dbraw/zinc/94/00/90/1038940090.db2.gz ISPXQQYWOJOXPU-PKOBYXMFSA-N 2 0 309.457 3.590 20 30 DHEDRP N#CC1(c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013298 1040624966 /nfs/dbraw/zinc/62/49/66/1040624966.db2.gz HNTPODSLUYEROQ-HXUWFJFHSA-N 2 0 323.484 3.692 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000602514737 1041063916 /nfs/dbraw/zinc/06/39/16/1041063916.db2.gz LVASOTZJXDYWFR-QZTJIDSGSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660271 1041145338 /nfs/dbraw/zinc/14/53/38/1041145338.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 2 0 311.473 3.524 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602772411 1041202711 /nfs/dbraw/zinc/20/27/11/1041202711.db2.gz IRVLFAUAYVLSHY-UHFFFAOYSA-N 2 0 311.473 3.524 20 30 DHEDRP N#CCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602860301 1041264764 /nfs/dbraw/zinc/26/47/64/1041264764.db2.gz ATMCDSKLXHSMKS-UHFFFAOYSA-N 2 0 311.473 3.668 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442708811 335035117 /nfs/dbraw/zinc/03/51/17/335035117.db2.gz LPOWHLLZNFPLJF-HLIPFELVSA-N 2 0 311.473 3.700 20 30 DHEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442718563 335050032 /nfs/dbraw/zinc/05/00/32/335050032.db2.gz PFLFZGVETYWWNB-FXAWDEMLSA-N 2 0 311.473 3.700 20 30 DHEDRP C=CCN1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000569464037 332094590 /nfs/dbraw/zinc/09/45/90/332094590.db2.gz VAIJOCMQJJSVKZ-CQSZACIVSA-N 2 0 308.416 3.526 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000153023136 332338602 /nfs/dbraw/zinc/33/86/02/332338602.db2.gz LENOBYGWMCEZMG-AWEZNQCLSA-N 2 0 315.486 3.987 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443981996 338465287 /nfs/dbraw/zinc/46/52/87/338465287.db2.gz SQSILWUEZMNUIB-UHFFFAOYSA-N 2 0 321.468 3.998 20 30 DHEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423013783 337695597 /nfs/dbraw/zinc/69/55/97/337695597.db2.gz GSNFJXHMDZSPIF-IERDGZPVSA-N 2 0 319.452 3.703 20 30 DHEDRP C=CCCC[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536995494 337860462 /nfs/dbraw/zinc/86/04/62/337860462.db2.gz NUSJBBYEABJPOV-BZSNNMDCSA-N 2 0 308.510 3.552 20 30 DHEDRP C(#CC[NH+](C1CCC1)C1CCC1)C[NH+](C1CCC1)C1CCC1 ZINC000429157338 338072165 /nfs/dbraw/zinc/07/21/65/338072165.db2.gz UYGCDEGTKHPJAS-UHFFFAOYSA-N 2 0 300.490 3.804 20 30 DHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874246 338437100 /nfs/dbraw/zinc/43/71/00/338437100.db2.gz SXJHEVAEMWUUJB-CKVGWXAMSA-N 2 0 317.521 3.949 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283656 339113364 /nfs/dbraw/zinc/11/33/64/339113364.db2.gz OAGVHEWRFGIPDU-MSOLQXFVSA-N 2 0 303.494 3.847 20 30 DHEDRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424442 339204266 /nfs/dbraw/zinc/20/42/66/339204266.db2.gz HXVKDSOZGBMUTK-UWJYYQICSA-N 2 0 319.452 3.526 20 30 DHEDRP CC(C)[NH+](CCCN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512667450 340372017 /nfs/dbraw/zinc/37/20/17/340372017.db2.gz POUPJGDGFNQNFD-OAHLLOKOSA-N 2 0 305.441 3.857 20 30 DHEDRP C=CCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134204402 341209332 /nfs/dbraw/zinc/20/93/32/341209332.db2.gz GICMNQQOKJHFQI-UHFFFAOYSA-N 2 0 314.473 3.559 20 30 DHEDRP C=CCSCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551296045 341337522 /nfs/dbraw/zinc/33/75/22/341337522.db2.gz DZRKHARHLIMQDT-UHFFFAOYSA-N 2 0 318.530 3.938 20 30 DHEDRP C#CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138606 /nfs/dbraw/zinc/13/86/06/1013138606.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 2 0 316.514 3.694 20 30 DHEDRP C=CC[C@H](NC1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925073791 1013385235 /nfs/dbraw/zinc/38/52/35/1013385235.db2.gz DSMBWNVJHSIHNU-IBGZPJMESA-N 2 0 301.478 3.799 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442710950 1014721240 /nfs/dbraw/zinc/72/12/40/1014721240.db2.gz REDGSYCQPAVTLW-LSTHTHJFSA-N 2 0 311.473 3.843 20 30 DHEDRP CCCCCCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000711792269 1012149011 /nfs/dbraw/zinc/14/90/11/1012149011.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 0 318.505 3.526 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001167078814 1012551486 /nfs/dbraw/zinc/55/14/86/1012551486.db2.gz XDJVQROBTINJCU-UHFFFAOYSA-N 2 0 313.489 3.811 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729267 /nfs/dbraw/zinc/72/92/67/1032729267.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 2 0 323.484 3.667 20 30 DHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070483 1018028705 /nfs/dbraw/zinc/02/87/05/1018028705.db2.gz PHORFDWNZOSQPV-AZUAARDMSA-N 2 0 320.521 3.602 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000765452255 1018790913 /nfs/dbraw/zinc/79/09/13/1018790913.db2.gz ZMWGUTRBSLMSHU-GJZGRUSLSA-N 2 0 310.869 3.809 20 30 DHEDRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393536 1019468349 /nfs/dbraw/zinc/46/83/49/1019468349.db2.gz VRDIIXXRRCJIRA-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174250003 1020963480 /nfs/dbraw/zinc/96/34/80/1020963480.db2.gz KZVITVRAYVRTJG-UHFFFAOYSA-N 2 0 301.478 3.948 20 30 DHEDRP CCCCCCCC[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252135997 1021352903 /nfs/dbraw/zinc/35/29/03/1021352903.db2.gz KVTBPUDKQCYIRS-SFHVURJKSA-N 2 0 300.531 3.810 20 30 DHEDRP C=CCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000850503000 1021565875 /nfs/dbraw/zinc/56/58/75/1021565875.db2.gz YUZMJBNEXCKSPL-MRXNPFEDSA-N 2 0 302.462 3.908 20 30 DHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136593 1021922818 /nfs/dbraw/zinc/92/28/18/1021922818.db2.gz KLXQBNDKJZPKRD-YLJYHZDGSA-N 2 0 319.452 3.731 20 30 DHEDRP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1ccc(C#N)cc1 ZINC000365731825 1021966455 /nfs/dbraw/zinc/96/64/55/1021966455.db2.gz CWAORUIZPRZDSY-ROUUACIJSA-N 2 0 308.429 3.682 20 30 DHEDRP CCCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000792269882 1024657373 /nfs/dbraw/zinc/65/73/73/1024657373.db2.gz XXRITNWWDHQDLJ-VQTJNVASSA-N 2 0 323.569 3.695 20 30 DHEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172488880 1033223778 /nfs/dbraw/zinc/22/37/78/1033223778.db2.gz XDHLSDVIXXVFMH-HNNXBMFYSA-N 2 0 319.880 3.758 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229129 /nfs/dbraw/zinc/22/91/29/1033229129.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 2 0 311.473 3.523 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172505029 1033235612 /nfs/dbraw/zinc/23/56/12/1033235612.db2.gz IYCDTRLFNRWUFH-LJQANCHMSA-N 2 0 311.558 3.695 20 30 DHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384777 1025046936 /nfs/dbraw/zinc/04/69/36/1025046936.db2.gz LAHKPRSVZUWUTK-JXFKEZNVSA-N 2 0 311.473 3.647 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624078 1026575908 /nfs/dbraw/zinc/57/59/08/1026575908.db2.gz GEWQIDCPKSKEDS-AVRDEDQJSA-N 2 0 318.464 3.668 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369001405 1028432444 /nfs/dbraw/zinc/43/24/44/1028432444.db2.gz LPCLBRPMSIKEHQ-SFHVURJKSA-N 2 0 305.510 3.904 20 30 DHEDRP C=CC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449486469 1028697879 /nfs/dbraw/zinc/69/78/79/1028697879.db2.gz SMTMQQOKICDVGE-UHFFFAOYSA-N 2 0 315.505 3.519 20 30 DHEDRP N#CC1(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297544 1029097702 /nfs/dbraw/zinc/09/77/02/1029097702.db2.gz UIHGXJAYTBYQEV-GOSISDBHSA-N 2 0 303.494 3.801 20 30 DHEDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817982002 1029319021 /nfs/dbraw/zinc/31/90/21/1029319021.db2.gz ARIGTQYZAAJVIY-UZLBHIALSA-N 2 0 323.440 3.720 20 30 DHEDRP CCC1([NH3+])CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000925757611 1030482303 /nfs/dbraw/zinc/48/23/03/1030482303.db2.gz UQAZNBFKUGFTQM-UHFFFAOYSA-N 2 0 311.473 3.594 20 30 DHEDRP C=CCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248756039 1030766280 /nfs/dbraw/zinc/76/62/80/1030766280.db2.gz CRJVZNBXBSTZNM-REPLKXPHSA-N 2 0 316.514 3.691 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000559111266 1031130236 /nfs/dbraw/zinc/13/02/36/1031130236.db2.gz QFXUTEUNDDQPAC-QRQLOZEOSA-N 2 0 303.494 3.655 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844923303 1031402023 /nfs/dbraw/zinc/40/20/23/1031402023.db2.gz RAYMHTKZPIGGIA-CQSZACIVSA-N 2 0 308.853 3.598 20 30 DHEDRP N#Cc1ccc(C[NH2+]CCCCCCC[NH+]2CCCC2)c(F)c1 ZINC000772919897 1031528839 /nfs/dbraw/zinc/52/88/39/1031528839.db2.gz PCPYUGNWPWQBRS-UHFFFAOYSA-N 2 0 317.452 3.833 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171201365 1031770726 /nfs/dbraw/zinc/77/07/26/1031770726.db2.gz LEIYTOHURXCWFW-VDGAXYAQSA-N 2 0 313.489 3.732 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171201363 1031771983 /nfs/dbraw/zinc/77/19/83/1031771983.db2.gz LEIYTOHURXCWFW-FFZOFVMBSA-N 2 0 313.489 3.732 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001173107970 1033544769 /nfs/dbraw/zinc/54/47/69/1033544769.db2.gz USYLVAVYUTXGOJ-LBXVMSDZSA-N 2 0 311.473 3.788 20 30 DHEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000104169908 1033652805 /nfs/dbraw/zinc/65/28/05/1033652805.db2.gz KNVLIHKLJQUGLB-HNNXBMFYSA-N 2 0 316.493 3.542 20 30 DHEDRP CCCCCCCC[C@@H](CCC)[NH2+]CCN1CC[NH+](C)CC1 ZINC001173308979 1033663401 /nfs/dbraw/zinc/66/34/01/1033663401.db2.gz OWGWEGLIPJNRPD-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP N#CCC1CCC([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173332367 1033692021 /nfs/dbraw/zinc/69/20/21/1033692021.db2.gz LYEGGYVNAAWPAM-JLAWEPINSA-N 2 0 315.505 3.869 20 30 DHEDRP N#Cc1cc(C[NH2+]C2(C3CC3)CC2)cc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000878409927 1033693340 /nfs/dbraw/zinc/69/33/40/1033693340.db2.gz RZRCUGLZTOINBP-UHFFFAOYSA-N 2 0 321.468 3.623 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057198 1034113766 /nfs/dbraw/zinc/11/37/66/1034113766.db2.gz AQXRAFLNLZCMEL-WOJBJXKFSA-N 2 0 323.484 3.667 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000903253659 1035294922 /nfs/dbraw/zinc/29/49/22/1035294922.db2.gz NWBJOEDQAIIRKD-VEDCXYSMSA-N 2 0 323.484 3.932 20 30 DHEDRP C=CCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC001179143471 1035465024 /nfs/dbraw/zinc/46/50/24/1035465024.db2.gz XOEXRIDFIZQASC-UHFFFAOYSA-N 2 0 310.445 3.884 20 30 DHEDRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1C#N ZINC000443986261 1036970024 /nfs/dbraw/zinc/97/00/24/1036970024.db2.gz VUBIJWKSVKEBAZ-UHFFFAOYSA-N 2 0 319.452 3.752 20 30 DHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCCCCC)CC1 ZINC001201840474 1037919118 /nfs/dbraw/zinc/91/91/18/1037919118.db2.gz XMNCCCOKTMRVMH-UHFFFAOYSA-N 2 0 321.553 3.639 20 30 DHEDRP CCCCCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001201874604 1037924954 /nfs/dbraw/zinc/92/49/54/1037924954.db2.gz AECSXLPRCVWHPY-UHFFFAOYSA-N 2 0 323.569 3.839 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494133 1039797266 /nfs/dbraw/zinc/79/72/66/1039797266.db2.gz URVGHHHNUTXVDU-QGZVFWFLSA-N 2 0 313.489 3.842 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924096 1039928911 /nfs/dbraw/zinc/92/89/11/1039928911.db2.gz NEIRZGWODLJAOH-KRWDZBQOSA-N 2 0 313.489 3.842 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094809 1040305617 /nfs/dbraw/zinc/30/56/17/1040305617.db2.gz MKTGHHSEIMJKLS-GHTZIAJQSA-N 2 0 323.484 3.647 20 30 DHEDRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022972 1040857361 /nfs/dbraw/zinc/85/73/61/1040857361.db2.gz VEIKDTRWRFEEMU-PMACEKPBSA-N 2 0 307.441 3.559 20 30 DHEDRP C=CCCOCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285248606 335022281 /nfs/dbraw/zinc/02/22/81/335022281.db2.gz PVDBZPRSOAPLJQ-UHFFFAOYSA-N 2 0 316.489 3.612 20 30 DHEDRP C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000559879210 332289055 /nfs/dbraw/zinc/28/90/55/332289055.db2.gz ZQWIHSSNCFQMSC-MRXNPFEDSA-N 2 0 304.478 3.880 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000152973120 332332541 /nfs/dbraw/zinc/33/25/41/332332541.db2.gz LLOHCDDCOYFGBG-AWEZNQCLSA-N 2 0 306.425 3.525 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185797103 333214246 /nfs/dbraw/zinc/21/42/46/333214246.db2.gz QBDBPTXIYCFSSU-UXHICEINSA-N 2 0 311.473 3.571 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443972400 338464959 /nfs/dbraw/zinc/46/49/59/338464959.db2.gz XYEPUFFLOBPFRI-UHFFFAOYSA-N 2 0 321.468 3.998 20 30 DHEDRP C=CCN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000177910173 337158824 /nfs/dbraw/zinc/15/88/24/337158824.db2.gz YDNIAVSJNPSVMW-SFHVURJKSA-N 2 0 312.457 3.673 20 30 DHEDRP N#CCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000516255414 338008983 /nfs/dbraw/zinc/00/89/83/338008983.db2.gz DGNHYPRVJHOOGA-UHFFFAOYSA-N 2 0 311.473 3.798 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778089 338430629 /nfs/dbraw/zinc/43/06/29/338430629.db2.gz FLVFCJJUJGBFFN-UXHICEINSA-N 2 0 311.473 3.844 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778095 338430631 /nfs/dbraw/zinc/43/06/31/338430631.db2.gz FLVFCJJUJGBFFN-WOJBJXKFSA-N 2 0 311.473 3.844 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1Cl ZINC000469852248 339302743 /nfs/dbraw/zinc/30/27/43/339302743.db2.gz KZKDEMGVSWSWMW-UHFFFAOYSA-N 2 0 322.880 3.726 20 30 DHEDRP CCN(C[C@@H](C)C#N)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509776173 340278862 /nfs/dbraw/zinc/27/88/62/340278862.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 2 0 301.478 3.626 20 30 DHEDRP C=CCCCCC[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001209422830 1013256135 /nfs/dbraw/zinc/25/61/35/1013256135.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 0 308.510 3.556 20 30 DHEDRP C=CCCCCCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001209436046 1013279937 /nfs/dbraw/zinc/27/99/37/1013279937.db2.gz NFEZUYQAPVRVSI-UHFFFAOYSA-N 2 0 308.510 3.698 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177682140 1013962424 /nfs/dbraw/zinc/96/24/24/1013962424.db2.gz RFNMYIGUHQXDMN-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCC(C#N)CC1 ZINC000931272049 1032086963 /nfs/dbraw/zinc/08/69/63/1032086963.db2.gz PQNUNVPGGUOXQD-UHFFFAOYSA-N 2 0 313.489 3.900 20 30 DHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780721 1014729776 /nfs/dbraw/zinc/72/97/76/1014729776.db2.gz NITKIJIZNIZIEY-LPHOPBHVSA-N 2 0 323.440 3.693 20 30 DHEDRP C=CCOc1ccccc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304343 1032132156 /nfs/dbraw/zinc/13/21/56/1032132156.db2.gz XETYBFZRLBFVDD-GTPINHCMSA-N 2 0 302.462 3.775 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054150 /nfs/dbraw/zinc/05/41/50/1017054150.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 0 311.473 3.645 20 30 DHEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944087 1032406535 /nfs/dbraw/zinc/40/65/35/1032406535.db2.gz KNCLPXYJEWCKSI-FPOVZHCZSA-N 2 0 312.501 3.885 20 30 DHEDRP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016909 1032521290 /nfs/dbraw/zinc/52/12/90/1032521290.db2.gz QHNMBQWSWQNYFA-GOSISDBHSA-N 2 0 305.510 3.904 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000424319610 1011975270 /nfs/dbraw/zinc/97/52/70/1011975270.db2.gz FFXIGINLSKGHMU-FDKIHUSFSA-N 2 0 323.484 3.711 20 30 DHEDRP C=CCSCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679420 1032701067 /nfs/dbraw/zinc/70/10/67/1032701067.db2.gz DCNZIKFGUHUWCR-OTWHNJEPSA-N 2 0 316.514 3.548 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000764667873 1018343238 /nfs/dbraw/zinc/34/32/38/1018343238.db2.gz UWLQVCOZUMWUMO-MRXNPFEDSA-N 2 0 322.880 3.954 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000765452254 1018789678 /nfs/dbraw/zinc/78/96/78/1018789678.db2.gz ZMWGUTRBSLMSHU-CABCVRRESA-N 2 0 310.869 3.809 20 30 DHEDRP C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390991 1019474290 /nfs/dbraw/zinc/47/42/90/1019474290.db2.gz LXVKWXMBNZOEBZ-JXFKEZNVSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390995 1019474963 /nfs/dbraw/zinc/47/49/63/1019474963.db2.gz LXVKWXMBNZOEBZ-OXQOHEQNSA-N 2 0 311.473 3.647 20 30 DHEDRP C=C(C)[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000681401508 1019576697 /nfs/dbraw/zinc/57/66/97/1019576697.db2.gz XOMATKDGYZUNLT-ACJLOTCBSA-N 2 0 308.416 3.902 20 30 DHEDRP N#Cc1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)cs1 ZINC000921686335 1020445784 /nfs/dbraw/zinc/44/57/84/1020445784.db2.gz IQRFGLHFJOHIHD-UHFFFAOYSA-N 2 0 305.491 3.756 20 30 DHEDRP C#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781424819 1021367733 /nfs/dbraw/zinc/36/77/33/1021367733.db2.gz ZBGLORPSDIVFRH-NJDAHSKKSA-N 2 0 310.485 3.680 20 30 DHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136573 1021921063 /nfs/dbraw/zinc/92/10/63/1021921063.db2.gz KLXQBNDKJZPKRD-XLIONFOSSA-N 2 0 319.452 3.731 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308732 1033079599 /nfs/dbraw/zinc/07/95/99/1033079599.db2.gz MOXMLAZQOUIULB-NSISKUIASA-N 2 0 313.489 3.732 20 30 DHEDRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccc1C#N ZINC000767689298 1022783214 /nfs/dbraw/zinc/78/32/14/1022783214.db2.gz HENCKFKOIOUBQW-UHFFFAOYSA-N 2 0 311.473 3.753 20 30 DHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000859212400 1033099946 /nfs/dbraw/zinc/09/99/46/1033099946.db2.gz IVGVZPKXWNJREE-UHFFFAOYSA-N 2 0 301.478 3.900 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001172298499 1033104580 /nfs/dbraw/zinc/10/45/80/1033104580.db2.gz XPRQKGYKRSHMMV-OAHLLOKOSA-N 2 0 313.489 3.730 20 30 DHEDRP CC[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(C#N)cc1 ZINC000278835000 1023104216 /nfs/dbraw/zinc/10/42/16/1023104216.db2.gz UIZCMBYVRIUGRH-SFHVURJKSA-N 2 0 308.429 3.886 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172346983 1033130516 /nfs/dbraw/zinc/13/05/16/1033130516.db2.gz OKNPGSXUOGJVIX-LJQANCHMSA-N 2 0 311.558 3.741 20 30 DHEDRP CCCCCCC[C@H](CC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172353774 1033136655 /nfs/dbraw/zinc/13/66/55/1033136655.db2.gz BNGXAJUBXKAJQG-IBGZPJMESA-N 2 0 311.558 3.695 20 30 DHEDRP CCCCCCC[C@H](CC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172354187 1033137630 /nfs/dbraw/zinc/13/76/30/1033137630.db2.gz FQMKYVWBTASTGQ-IBGZPJMESA-N 2 0 323.569 3.837 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000602514741 1024152381 /nfs/dbraw/zinc/15/23/81/1024152381.db2.gz LVASOTZJXDYWFR-ZWKOTPCHSA-N 2 0 313.489 3.948 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453210402 1024403445 /nfs/dbraw/zinc/40/34/45/1024403445.db2.gz JLUTZBVWNCRFRX-XUVXKRRUSA-N 2 0 323.484 3.713 20 30 DHEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172491184 1033222757 /nfs/dbraw/zinc/22/27/57/1033222757.db2.gz DYMFEDOOMIQKTJ-OAHLLOKOSA-N 2 0 319.880 3.758 20 30 DHEDRP N#CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353669508 1025191671 /nfs/dbraw/zinc/19/16/71/1025191671.db2.gz CPLVAENJDRGJSF-XUVXKRRUSA-N 2 0 311.473 3.571 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875200 1025396852 /nfs/dbraw/zinc/39/68/52/1025396852.db2.gz CVTMZUNUZQTPGS-LZWOXQAQSA-N 2 0 308.853 3.596 20 30 DHEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025929979 /nfs/dbraw/zinc/92/99/79/1025929979.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 2 0 303.494 3.514 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)cc1 ZINC000809602828 1026573513 /nfs/dbraw/zinc/57/35/13/1026573513.db2.gz ARMDLVFQVUUPMO-UHFFFAOYSA-N 2 0 306.453 3.800 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416658 1027541657 /nfs/dbraw/zinc/54/16/57/1027541657.db2.gz DDJSCRUEXNSOFM-FTRWYGJKSA-N 2 0 311.473 3.680 20 30 DHEDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522667 1027579985 /nfs/dbraw/zinc/57/99/85/1027579985.db2.gz VEBDETHBIUXVTO-AUUYWEPGSA-N 2 0 311.404 3.828 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000813878182 1027746585 /nfs/dbraw/zinc/74/65/85/1027746585.db2.gz LEOHQYGGINFWQI-ZFWWWQNUSA-N 2 0 310.869 3.666 20 30 DHEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367208166 1028148836 /nfs/dbraw/zinc/14/88/36/1028148836.db2.gz HWIHZEIXNCWORV-APWZRJJASA-N 2 0 323.484 3.816 20 30 DHEDRP C=CCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCCC1 ZINC000449572493 1028819566 /nfs/dbraw/zinc/81/95/66/1028819566.db2.gz JXYPDYCNFJUDOY-UHFFFAOYSA-N 2 0 310.445 3.944 20 30 DHEDRP C=CCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000449605691 1028850750 /nfs/dbraw/zinc/85/07/50/1028850750.db2.gz NXBZGCFLTCKGIE-UHFFFAOYSA-N 2 0 310.445 3.802 20 30 DHEDRP C=CCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567852106 1028964629 /nfs/dbraw/zinc/96/46/29/1028964629.db2.gz PTQSBANTZJOVHI-GOSISDBHSA-N 2 0 316.514 3.692 20 30 DHEDRP N#CC1(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315877 1029097441 /nfs/dbraw/zinc/09/74/41/1029097441.db2.gz VMUCWTIXABSMMK-SFHVURJKSA-N 2 0 303.494 3.658 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817970754 1029311260 /nfs/dbraw/zinc/31/12/60/1029311260.db2.gz DLPJZUNYKWNPLC-DZKIICNBSA-N 2 0 308.853 3.609 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000924584947 1030131662 /nfs/dbraw/zinc/13/16/62/1030131662.db2.gz JIHCPOMZVGWXRO-MRXNPFEDSA-N 2 0 301.478 3.946 20 30 DHEDRP C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226570 1030751338 /nfs/dbraw/zinc/75/13/38/1030751338.db2.gz KFNVKTUXVWVDAR-PGRDOPGGSA-N 2 0 318.464 3.668 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248756617 1030767224 /nfs/dbraw/zinc/76/72/24/1030767224.db2.gz GGMIWYUZHYEQEB-OBKBHFTKSA-N 2 0 323.484 3.854 20 30 DHEDRP C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926529978 1030783317 /nfs/dbraw/zinc/78/33/17/1030783317.db2.gz IOEIESYJBFMHFE-KRWDZBQOSA-N 2 0 322.452 3.611 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123631907 1031218080 /nfs/dbraw/zinc/21/80/80/1031218080.db2.gz VUFPTFVBLZIHDC-QGZVFWFLSA-N 2 0 322.452 3.611 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171192122 1031643280 /nfs/dbraw/zinc/64/32/80/1031643280.db2.gz LEIYTOHURXCWFW-DZIBYMRMSA-N 2 0 313.489 3.732 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171192123 1031644519 /nfs/dbraw/zinc/64/45/19/1031644519.db2.gz LEIYTOHURXCWFW-PBPGXSGUSA-N 2 0 313.489 3.732 20 30 DHEDRP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001144580710 1031718692 /nfs/dbraw/zinc/71/86/92/1031718692.db2.gz FWUATNWQWOLIJJ-UHFFFAOYSA-N 2 0 310.485 3.897 20 30 DHEDRP C[C@]1(C[NH2+]C2CCC(C#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496366 1033324985 /nfs/dbraw/zinc/32/49/85/1033324985.db2.gz QHKMTTFNHPAOKT-LYBXBRPPSA-N 2 0 311.473 3.571 20 30 DHEDRP N#CCC1CCC([NH2+]CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173333250 1033691744 /nfs/dbraw/zinc/69/17/44/1033691744.db2.gz FPYQYXRVLPMNMX-UHFFFAOYSA-N 2 0 317.521 3.951 20 30 DHEDRP N#CCC1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332468 1033692690 /nfs/dbraw/zinc/69/26/90/1033692690.db2.gz LRGZSGABLSQYEP-CTPABKKDSA-N 2 0 303.494 3.973 20 30 DHEDRP C=CCOC1CCC([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001173317236 1033708882 /nfs/dbraw/zinc/70/88/82/1033708882.db2.gz SYCDZGJHTXMJRU-QHGAOEGBSA-N 2 0 316.489 3.597 20 30 DHEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173316922 1033709126 /nfs/dbraw/zinc/70/91/26/1033709126.db2.gz OLYQDZDNZBRGED-UHFFFAOYSA-N 2 0 320.521 3.602 20 30 DHEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862549299 1033885522 /nfs/dbraw/zinc/88/55/22/1033885522.db2.gz ZEZWYTWGHXZHJR-QGZVFWFLSA-N 2 0 322.537 3.684 20 30 DHEDRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708419 1036135802 /nfs/dbraw/zinc/13/58/02/1036135802.db2.gz SBFCCCXBBVVVJZ-DYVFJYSZSA-N 2 0 305.441 3.714 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000486810959 1036417390 /nfs/dbraw/zinc/41/73/90/1036417390.db2.gz JTVYVDUDGAXANA-UHFFFAOYSA-N 2 0 313.489 3.811 20 30 DHEDRP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781190 1037967422 /nfs/dbraw/zinc/96/74/22/1037967422.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 2 0 311.473 3.545 20 30 DHEDRP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000594501412 1039803726 /nfs/dbraw/zinc/80/37/26/1039803726.db2.gz VNPJSUQFWDQLKG-KRWDZBQOSA-N 2 0 313.489 3.842 20 30 DHEDRP C=CCCSCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595060185 1040025708 /nfs/dbraw/zinc/02/57/08/1040025708.db2.gz UDGVHCCCJRAYSB-PKOBYXMFSA-N 2 0 318.530 3.796 20 30 DHEDRP CC[N@H+](C[C@H](C)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479957 1041054602 /nfs/dbraw/zinc/05/46/02/1041054602.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 2 0 313.489 3.770 20 30 DHEDRP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602523906 1041071912 /nfs/dbraw/zinc/07/19/12/1041071912.db2.gz IBOSGRMFWUYNPI-SKINQDTJSA-N 2 0 311.473 3.571 20 30 DHEDRP N#CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000602535095 1041092347 /nfs/dbraw/zinc/09/23/47/1041092347.db2.gz MVBVXYXLKJXKSK-NKELODKYSA-N 2 0 303.494 3.703 20 30 DHEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285526462 131177407 /nfs/dbraw/zinc/17/74/07/131177407.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 0 311.429 3.666 20 30 DHEDRP C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000570013531 332701992 /nfs/dbraw/zinc/70/19/92/332701992.db2.gz QTLMALJIKXQTHT-MRXNPFEDSA-N 2 0 304.478 3.880 20 30 DHEDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181438693 333169284 /nfs/dbraw/zinc/16/92/84/333169284.db2.gz AIWFUWADVTZGOE-INIZCTEOSA-N 2 0 323.440 3.501 20 30 DHEDRP CN(Cc1ccccc1)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223332 333205773 /nfs/dbraw/zinc/20/57/73/333205773.db2.gz ZMYWPLURFWVIHF-LJQANCHMSA-N 2 0 313.489 3.817 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032360 333223049 /nfs/dbraw/zinc/22/30/49/333223049.db2.gz YTFGYVJGPFCECP-MJGOQNOKSA-N 2 0 303.494 3.703 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000294955442 334214688 /nfs/dbraw/zinc/21/46/88/334214688.db2.gz DLPCKWGKPXSEKR-DARKYYSBSA-N 2 0 323.484 3.569 20 30 DHEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000348220177 335562753 /nfs/dbraw/zinc/56/27/53/335562753.db2.gz UKYWLYGSENFFDC-MRXNPFEDSA-N 2 0 317.477 3.608 20 30 DHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204301 335565507 /nfs/dbraw/zinc/56/55/07/335565507.db2.gz GIKCUEAJHDOSSD-WMZOPIPTSA-N 2 0 305.510 3.949 20 30 DHEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422904549 337690596 /nfs/dbraw/zinc/69/05/96/337690596.db2.gz GXZKXVPRTMUQPK-CEXWTWQISA-N 2 0 314.473 3.652 20 30 DHEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473834 337721375 /nfs/dbraw/zinc/72/13/75/337721375.db2.gz OJSZWZVUBHDAGS-WXSAJPJJSA-N 2 0 304.453 3.709 20 30 DHEDRP C=CC[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)CC=C ZINC000433242290 338187591 /nfs/dbraw/zinc/18/75/91/338187591.db2.gz DDKANKGUJFLNRG-UHFFFAOYSA-N 2 0 323.278 3.685 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000436284475 338265364 /nfs/dbraw/zinc/26/53/64/338265364.db2.gz BACPGWCJWDWZGF-JYBIWHBTSA-N 2 0 320.521 3.600 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000134172451 341208511 /nfs/dbraw/zinc/20/85/11/341208511.db2.gz XXWGTJCHIBOXLM-UHFFFAOYSA-N 2 0 305.491 3.564 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC000131067445 520996278 /nfs/dbraw/zinc/99/62/78/520996278.db2.gz UXZXHRQWBAWQGS-UHFFFAOYSA-N 2 0 311.473 3.691 20 30 DHEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221296 525269932 /nfs/dbraw/zinc/26/99/32/525269932.db2.gz CRLWNFHPVLSASE-UZLBHIALSA-N 2 0 319.452 3.798 20 30 DHEDRP N#Cc1csc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000177683364 1013977288 /nfs/dbraw/zinc/97/72/88/1013977288.db2.gz NTLLFVAMCOVMTQ-UHFFFAOYSA-N 2 0 311.454 3.505 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610477 /nfs/dbraw/zinc/61/04/77/1014610477.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 2 0 313.489 3.792 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053678 /nfs/dbraw/zinc/05/36/78/1017053678.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 0 311.473 3.645 20 30 DHEDRP C[C@@H](CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422578 1032229313 /nfs/dbraw/zinc/22/93/13/1032229313.db2.gz ANJDAHAGRYCATJ-JXFKEZNVSA-N 2 0 311.473 3.790 20 30 DHEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944229 1032405360 /nfs/dbraw/zinc/40/53/60/1032405360.db2.gz KNCLPXYJEWCKSI-PZJWPPBQSA-N 2 0 312.501 3.885 20 30 DHEDRP C=C(C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000675783681 1018589670 /nfs/dbraw/zinc/58/96/70/1018589670.db2.gz POELVQSAEQTVCM-SFHVURJKSA-N 2 0 324.468 3.991 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019075982 /nfs/dbraw/zinc/07/59/82/1019075982.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 2 0 313.489 3.650 20 30 DHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000065976549 1019464889 /nfs/dbraw/zinc/46/48/89/1019464889.db2.gz CDDPBLZPNVCWQC-UHFFFAOYSA-N 2 0 307.441 3.688 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096626 1019663481 /nfs/dbraw/zinc/66/34/81/1019663481.db2.gz FRLWBDHOGSKRGH-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP N#Cc1ccc(C2=CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000364601768 1020476717 /nfs/dbraw/zinc/47/67/17/1020476717.db2.gz DDUGMOWSRTUWJS-UHFFFAOYSA-N 2 0 309.457 3.523 20 30 DHEDRP CC(C)(S)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077273 1032982574 /nfs/dbraw/zinc/98/25/74/1032982574.db2.gz QNUBPJQWKALPSC-NNZMDNLPSA-N 2 0 318.530 3.870 20 30 DHEDRP N#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065648 1032989435 /nfs/dbraw/zinc/98/94/35/1032989435.db2.gz PTMJWCHESGVYMU-ACDBMABISA-N 2 0 311.473 3.856 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271887562 1022487257 /nfs/dbraw/zinc/48/72/57/1022487257.db2.gz RDUAFJIRBZWCCJ-SJORKVTESA-N 2 0 317.477 3.750 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302135 1033073673 /nfs/dbraw/zinc/07/36/73/1033073673.db2.gz DYFPYVAYKQDEIT-IAGOWNOFSA-N 2 0 301.478 3.589 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308733 1033078833 /nfs/dbraw/zinc/07/88/33/1033078833.db2.gz MOXMLAZQOUIULB-VDGAXYAQSA-N 2 0 313.489 3.732 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172353775 1033137574 /nfs/dbraw/zinc/13/75/74/1033137574.db2.gz BNGXAJUBXKAJQG-LJQANCHMSA-N 2 0 311.558 3.695 20 30 DHEDRP N#CC1(c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2)CC1 ZINC000596980262 1023757998 /nfs/dbraw/zinc/75/79/98/1023757998.db2.gz YIHFOQCXUMGBAR-UHFFFAOYSA-N 2 0 323.484 3.550 20 30 DHEDRP C[C@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121543 1024180528 /nfs/dbraw/zinc/18/05/28/1024180528.db2.gz NDOBCDZMEWTWDI-KNTRFNDTSA-N 2 0 311.473 3.819 20 30 DHEDRP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173140 1024268608 /nfs/dbraw/zinc/26/86/08/1024268608.db2.gz CSNPYLIDWKVNCB-OTWHNJEPSA-N 2 0 314.473 3.617 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001172505355 1033234281 /nfs/dbraw/zinc/23/42/81/1033234281.db2.gz LVXFLJBNYNPYFY-MRXNPFEDSA-N 2 0 317.452 3.804 20 30 DHEDRP CCCCCCCC[C@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172505028 1033235016 /nfs/dbraw/zinc/23/50/16/1033235016.db2.gz IYCDTRLFNRWUFH-IBGZPJMESA-N 2 0 311.558 3.695 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793532112 1025107940 /nfs/dbraw/zinc/10/79/40/1025107940.db2.gz FMVLMPISWOXYFU-ZWKOTPCHSA-N 2 0 308.510 3.602 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000886629645 1025749642 /nfs/dbraw/zinc/74/96/42/1025749642.db2.gz KGNTUEWYOUXBPE-UHFFFAOYSA-N 2 0 311.473 3.639 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093844537 1026131454 /nfs/dbraw/zinc/13/14/54/1026131454.db2.gz CCIXYWNCOWRNJC-INIZCTEOSA-N 2 0 315.461 3.628 20 30 DHEDRP C#Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026551958 /nfs/dbraw/zinc/55/19/58/1026551958.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 2 0 318.464 3.622 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000421338435 1026961191 /nfs/dbraw/zinc/96/11/91/1026961191.db2.gz DFKHYVLFEKNYFG-UHFFFAOYSA-N 2 0 323.415 3.583 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000368366390 1028343285 /nfs/dbraw/zinc/34/32/85/1028343285.db2.gz CKFJKLINBUQQLU-AQNXPRMDSA-N 2 0 311.473 3.571 20 30 DHEDRP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCCCC1 ZINC000449079640 1028344933 /nfs/dbraw/zinc/34/49/33/1028344933.db2.gz ZPBOHXNUOXUVLO-XBMUEBEBSA-N 2 0 305.510 3.949 20 30 DHEDRP CC1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000373187404 1028969101 /nfs/dbraw/zinc/96/91/01/1028969101.db2.gz MHNGQOZKHZTDLM-BDFRZKONSA-N 2 0 303.494 3.701 20 30 DHEDRP N#Cc1ccc(C[NH2+]CCCCCCC[NH+]2CCCC2)cc1F ZINC000817407726 1029150706 /nfs/dbraw/zinc/15/07/06/1029150706.db2.gz ZXTULRGRMSWBMF-UHFFFAOYSA-N 2 0 317.452 3.833 20 30 DHEDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817982000 1029321426 /nfs/dbraw/zinc/32/14/26/1029321426.db2.gz ARIGTQYZAAJVIY-OXQOHEQNSA-N 2 0 323.440 3.720 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450495302 1029516003 /nfs/dbraw/zinc/51/60/03/1029516003.db2.gz UKAWMONAOGCHCJ-QGZVFWFLSA-N 2 0 303.494 3.657 20 30 DHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]CCCC[NH3+] ZINC001245976319 1029614365 /nfs/dbraw/zinc/61/43/65/1029614365.db2.gz RPTACHFNGMJSEW-SFHVURJKSA-N 2 0 300.531 3.987 20 30 DHEDRP CCCCCCCCC[C@H](CCC)NC1(C[NH3+])CC[NH2+]CC1 ZINC001246233841 1030249864 /nfs/dbraw/zinc/24/98/64/1030249864.db2.gz FOWJFEHXNQOHCW-SFHVURJKSA-N 2 0 311.558 3.966 20 30 DHEDRP C=CCOc1ccccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925572886 1030410105 /nfs/dbraw/zinc/41/01/05/1030410105.db2.gz LHDDPJNQGZSASP-IBGZPJMESA-N 2 0 310.441 3.821 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404366 1030744343 /nfs/dbraw/zinc/74/43/43/1030744343.db2.gz QCXCIBGJEMDRGT-SLFFLAALSA-N 2 0 311.473 3.571 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844923300 1031401647 /nfs/dbraw/zinc/40/16/47/1031401647.db2.gz RAYMHTKZPIGGIA-AWEZNQCLSA-N 2 0 308.853 3.598 20 30 DHEDRP C=CCCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000537108893 1031510500 /nfs/dbraw/zinc/51/05/00/1031510500.db2.gz NQXFZPSUWAIKPT-MRXNPFEDSA-N 2 0 319.468 3.584 20 30 DHEDRP C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496367 1033326098 /nfs/dbraw/zinc/32/60/98/1033326098.db2.gz QHKMTTFNHPAOKT-UUKMXZOPSA-N 2 0 311.473 3.571 20 30 DHEDRP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)c1 ZINC000104171762 1033652974 /nfs/dbraw/zinc/65/29/74/1033652974.db2.gz CIBZIWGDEVXDKH-UHFFFAOYSA-N 2 0 324.472 3.798 20 30 DHEDRP N#CCC1CCC([NH+]2CCC(N)(c3ccccc3F)CC2)CC1 ZINC001173331425 1033689219 /nfs/dbraw/zinc/68/92/19/1033689219.db2.gz BHSOBLCYJKKLTO-UHFFFAOYSA-N 2 0 315.436 3.548 20 30 DHEDRP C[NH+]1CCC2(CC1)CC[NH+](CCC1(C#N)CCCCC1)CC2 ZINC000879250830 1033964638 /nfs/dbraw/zinc/96/46/38/1033964638.db2.gz JLGCNEYXJWPNCL-UHFFFAOYSA-N 2 0 303.494 3.658 20 30 DHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176947325 1034122843 /nfs/dbraw/zinc/12/28/43/1034122843.db2.gz HOSLUBPSMHHDMH-UHFFFAOYSA-N 2 0 313.470 3.750 20 30 DHEDRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC001168362976 1034251990 /nfs/dbraw/zinc/25/19/90/1034251990.db2.gz OAODKYFIYATOGG-HXUWFJFHSA-N 2 0 311.473 3.719 20 30 DHEDRP CCCCCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879113 1035334926 /nfs/dbraw/zinc/33/49/26/1035334926.db2.gz BQHGXNHRZADZCT-UHFFFAOYSA-N 2 0 310.526 3.660 20 30 DHEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001178248965 1035416161 /nfs/dbraw/zinc/41/61/61/1035416161.db2.gz HULCOZPEPJPDAE-IBGZPJMESA-N 2 0 316.489 3.709 20 30 DHEDRP CC[N@H+](CCCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660916 1039261450 /nfs/dbraw/zinc/26/14/50/1039261450.db2.gz PZTNIULSBJXXHB-UHFFFAOYSA-N 2 0 301.478 3.900 20 30 DHEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584785 1039859025 /nfs/dbraw/zinc/85/90/25/1039859025.db2.gz JPWXOLGSOMTPFF-QFBILLFUSA-N 2 0 311.473 3.838 20 30 DHEDRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924725 1039928637 /nfs/dbraw/zinc/92/86/37/1039928637.db2.gz MSTPBVBRFMIWSM-GOSISDBHSA-N 2 0 313.489 3.698 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158261840 1040184356 /nfs/dbraw/zinc/18/43/56/1040184356.db2.gz BUBUESLLAFXUQC-HZPDHXFCSA-N 2 0 322.880 3.810 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000057626054 184042649 /nfs/dbraw/zinc/04/26/49/184042649.db2.gz UGPBSBAIQMXVHW-UHFFFAOYSA-N 2 0 307.441 3.690 20 30 DHEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442718570 335050018 /nfs/dbraw/zinc/05/00/18/335050018.db2.gz PFLFZGVETYWWNB-XLIONFOSSA-N 2 0 311.473 3.700 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501224 334096922 /nfs/dbraw/zinc/09/69/22/334096922.db2.gz AGOOQNDFMMESSV-UXHICEINSA-N 2 0 311.473 3.523 20 30 DHEDRP N#C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598002 334199639 /nfs/dbraw/zinc/19/96/39/334199639.db2.gz OSZNQFMPRHGTHA-PMACEKPBSA-N 2 0 323.484 3.667 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294955463 334214850 /nfs/dbraw/zinc/21/48/50/334214850.db2.gz DLPCKWGKPXSEKR-RKFFNLMFSA-N 2 0 323.484 3.569 20 30 DHEDRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919250 336197013 /nfs/dbraw/zinc/19/70/13/336197013.db2.gz PCEXGICGJPNMOD-KRWDZBQOSA-N 2 0 307.441 3.731 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000120174788 337395451 /nfs/dbraw/zinc/39/54/51/337395451.db2.gz TTYWVTJPYSXOLS-IEBWSBKVSA-N 2 0 313.489 3.817 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423132228 337701024 /nfs/dbraw/zinc/70/10/24/337701024.db2.gz OXAXFEQHDCZWEX-OXJNMPFZSA-N 2 0 322.456 3.935 20 30 DHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874248 338437115 /nfs/dbraw/zinc/43/71/15/338437115.db2.gz SXJHEVAEMWUUJB-KMEYYKJISA-N 2 0 317.521 3.949 20 30 DHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CC#N ZINC000459737773 339045390 /nfs/dbraw/zinc/04/53/90/339045390.db2.gz WOMWXHDDFJEKMU-UHFFFAOYSA-N 2 0 301.478 3.674 20 30 DHEDRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712864 1013685153 /nfs/dbraw/zinc/68/51/53/1013685153.db2.gz NAUZLOOKYQWGOM-MSOLQXFVSA-N 2 0 301.478 3.965 20 30 DHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874250 1014753058 /nfs/dbraw/zinc/75/30/58/1014753058.db2.gz SXJHEVAEMWUUJB-NNZWXOEDSA-N 2 0 317.521 3.949 20 30 DHEDRP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016911 1032520252 /nfs/dbraw/zinc/52/02/52/1032520252.db2.gz QHNMBQWSWQNYFA-SFHVURJKSA-N 2 0 305.510 3.904 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2ccnc2)cc1 ZINC000192620789 1032591295 /nfs/dbraw/zinc/59/12/95/1032591295.db2.gz FDXRKDIRRISGCR-AWEZNQCLSA-N 2 0 320.371 3.734 20 30 DHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613250 1017573591 /nfs/dbraw/zinc/57/35/91/1017573591.db2.gz JQSHEYRFIGDODN-FXAWDEMLSA-N 2 0 313.489 3.628 20 30 DHEDRP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447522894 1018404221 /nfs/dbraw/zinc/40/42/21/1018404221.db2.gz ZQRMJEWABJDVEL-FQEVSTJZSA-N 2 0 307.441 3.861 20 30 DHEDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585559 1018430418 /nfs/dbraw/zinc/43/04/18/1018430418.db2.gz KLXFUFQYYPIZLL-UYAOXDASSA-N 2 0 313.489 3.967 20 30 DHEDRP C/C(N[C@H]1CCc2c(C)cccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171564310 1032783010 /nfs/dbraw/zinc/78/30/10/1032783010.db2.gz XYAGDOYLVHDRLY-FQEVSTJZSA-N 2 0 321.468 3.519 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708537130 1018840644 /nfs/dbraw/zinc/84/06/44/1018840644.db2.gz IQOCCTRRLIQDCZ-LMMKCTJWSA-N 2 0 313.489 3.672 20 30 DHEDRP C[NH+]1C(C)(C)CC([NH2+]C23CCC(C#N)(CC2)CC3)CC1(C)C ZINC001171623417 1032807714 /nfs/dbraw/zinc/80/77/14/1032807714.db2.gz XWXBLVFALRHHPJ-UHFFFAOYSA-N 2 0 303.494 3.844 20 30 DHEDRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392278 1019466635 /nfs/dbraw/zinc/46/66/35/1019466635.db2.gz PPMCHRYNUGHLRD-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390340 1019474565 /nfs/dbraw/zinc/47/45/65/1019474565.db2.gz UCOCKBLTLKZDTG-OXJNMPFZSA-N 2 0 311.473 3.790 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069495 1020129474 /nfs/dbraw/zinc/12/94/74/1020129474.db2.gz FVLLCAZOCANCOE-KRWDZBQOSA-N 2 0 308.510 3.602 20 30 DHEDRP C=C(Br)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647895 1021661096 /nfs/dbraw/zinc/66/10/96/1021661096.db2.gz LGXQGGQCCBZKID-GDBMZVCRSA-N 2 0 323.278 3.538 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2OCC)CC1 ZINC000153031912 1021933115 /nfs/dbraw/zinc/93/31/15/1021933115.db2.gz KKJOKCVRPLVLPL-MRXNPFEDSA-N 2 0 302.462 3.776 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000695865959 1023037519 /nfs/dbraw/zinc/03/75/19/1023037519.db2.gz VYGQEWQEKJGIMD-PXNSSMCTSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172296165 1033101498 /nfs/dbraw/zinc/10/14/98/1033101498.db2.gz XQWPYHYGGVNMHR-UTKZUKDTSA-N 2 0 321.468 3.772 20 30 DHEDRP CCCCCCC[C@H](CC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172355444 1033137198 /nfs/dbraw/zinc/13/71/98/1033137198.db2.gz OSSDUSDPXRPFRD-FQEVSTJZSA-N 2 0 323.569 3.839 20 30 DHEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001172486374 1033198131 /nfs/dbraw/zinc/19/81/31/1033198131.db2.gz BMRYPVIIPGNVMY-MRXNPFEDSA-N 2 0 317.452 3.710 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172486132 1033198260 /nfs/dbraw/zinc/19/82/60/1033198260.db2.gz ZDDCGTDNLCZVGW-FRYIKTPZSA-N 2 0 311.473 3.854 20 30 DHEDRP CC[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014838 1024660826 /nfs/dbraw/zinc/66/08/26/1024660826.db2.gz XFTNUTBRUZFYMT-UHFFFAOYSA-N 2 0 313.470 3.703 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172503538 1033232678 /nfs/dbraw/zinc/23/26/78/1033232678.db2.gz GFIUYKUWIQUZGZ-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP C[Si](C)(C)C#C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170331498 1024747146 /nfs/dbraw/zinc/74/71/46/1024747146.db2.gz VYDUPFZRDKXZPK-LDLYASANSA-N 2 0 312.533 3.610 20 30 DHEDRP CCCCCCC[C@H](CCC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172507886 1033238527 /nfs/dbraw/zinc/23/85/27/1033238527.db2.gz CMIXGGBZIGJROE-IBGZPJMESA-N 2 0 311.558 3.695 20 30 DHEDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000421871930 1027081303 /nfs/dbraw/zinc/08/13/03/1027081303.db2.gz GIEZUEMVJQIDKC-AFMYVXGZSA-N 2 0 311.473 3.788 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138776 1028002502 /nfs/dbraw/zinc/00/25/02/1028002502.db2.gz YDPAGBOAGVCSRX-PKOBYXMFSA-N 2 0 313.489 3.674 20 30 DHEDRP CCCCCCCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369592266 1028507134 /nfs/dbraw/zinc/50/71/34/1028507134.db2.gz QPHCRXRQQZDPIU-UHFFFAOYSA-N 2 0 310.526 3.922 20 30 DHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445954 1028648783 /nfs/dbraw/zinc/64/87/83/1028648783.db2.gz MVPJJHXFLUOEDH-KCITZHQASA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@@H](C#N)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399256 1029122890 /nfs/dbraw/zinc/12/28/90/1029122890.db2.gz FSKIUNKUVDSIRX-KRWDZBQOSA-N 2 0 311.473 3.797 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374052397 1029194964 /nfs/dbraw/zinc/19/49/64/1029194964.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 2 0 311.473 3.668 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000817983892 1029319654 /nfs/dbraw/zinc/31/96/54/1029319654.db2.gz KXNIDRVPIVDGLJ-OAHLLOKOSA-N 2 0 320.864 3.778 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000559111257 1031130663 /nfs/dbraw/zinc/13/06/63/1031130663.db2.gz QFXUTEUNDDQPAC-BHIYHBOVSA-N 2 0 303.494 3.655 20 30 DHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171189610 1031617067 /nfs/dbraw/zinc/61/70/67/1031617067.db2.gz HTSPXJFWBYUWRR-HNNXBMFYSA-N 2 0 313.489 3.730 20 30 DHEDRP C=CCOC1CCC([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001173311622 1033666512 /nfs/dbraw/zinc/66/65/12/1033666512.db2.gz MSWMKJFPTNZQOX-SOAGJPPSSA-N 2 0 316.489 3.783 20 30 DHEDRP C[C@@]12CC3([NH3+])CC([NH2+]C4CCC(CC#N)CC4)(C1)C[C@](C)(C3)C2 ZINC001173334860 1033692403 /nfs/dbraw/zinc/69/24/03/1033692403.db2.gz ZERVPMJVEYKXND-YVAWMCKGSA-N 2 0 315.505 3.879 20 30 DHEDRP C[NH+]1CCC(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173599395 1033785501 /nfs/dbraw/zinc/78/55/01/1033785501.db2.gz KXHUBSLLHIQAIB-UHFFFAOYSA-N 2 0 303.494 3.513 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](CC#Cc2ccccc2)CC1)CC1CC1 ZINC000484058553 1035315547 /nfs/dbraw/zinc/31/55/47/1035315547.db2.gz XETCJSAMMLMCNQ-UHFFFAOYSA-N 2 0 324.512 3.872 20 30 DHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001177785332 1035392732 /nfs/dbraw/zinc/39/27/32/1035392732.db2.gz VPNUXLCWUIGKCY-RBUKOAKNSA-N 2 0 316.489 3.504 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000668552591 1035973016 /nfs/dbraw/zinc/97/30/16/1035973016.db2.gz PFNADVGTJAGREX-PKOBYXMFSA-N 2 0 320.521 3.744 20 30 DHEDRP CCC[NH+](CCC)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540706945 1036132213 /nfs/dbraw/zinc/13/22/13/1036132213.db2.gz KRYLSSPRVUVSPG-HNNXBMFYSA-N 2 0 305.441 3.860 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940591 1036721240 /nfs/dbraw/zinc/72/12/40/1036721240.db2.gz OORKSGDQNQMHOW-HZPDHXFCSA-N 2 0 317.452 3.860 20 30 DHEDRP CCCCCCCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201839508 1037917831 /nfs/dbraw/zinc/91/78/31/1037917831.db2.gz GBSGSJHKNNLIDO-UHFFFAOYSA-N 2 0 310.526 3.922 20 30 DHEDRP CC[N@H+](CCCNCc1ccc(C#N)s1)C1CCCCC1 ZINC000593660668 1038978461 /nfs/dbraw/zinc/97/84/61/1038978461.db2.gz NRNDBYHDTVAKST-UHFFFAOYSA-N 2 0 305.491 3.754 20 30 DHEDRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924726 1039929333 /nfs/dbraw/zinc/92/93/33/1039929333.db2.gz MSTPBVBRFMIWSM-SFHVURJKSA-N 2 0 313.489 3.698 20 30 DHEDRP C=CCCSCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595060183 1040024397 /nfs/dbraw/zinc/02/43/97/1040024397.db2.gz UDGVHCCCJRAYSB-IEBWSBKVSA-N 2 0 318.530 3.796 20 30 DHEDRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983078 1040618748 /nfs/dbraw/zinc/61/87/48/1040618748.db2.gz NNZROLJESDQHNU-UHFFFAOYSA-N 2 0 311.473 3.546 20 30 DHEDRP C[C@@H](CCC#N)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000602481977 1041054573 /nfs/dbraw/zinc/05/45/73/1041054573.db2.gz DQUMUEFHDQSRQD-ZWKOTPCHSA-N 2 0 305.510 3.903 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000602548503 1041087798 /nfs/dbraw/zinc/08/77/98/1041087798.db2.gz YITBLYYLCSLRSQ-OHSMVPPVSA-N 2 0 311.473 3.711 20 30 DHEDRP N#CC1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000602531430 1041088554 /nfs/dbraw/zinc/08/85/54/1041088554.db2.gz IAODLWADJIQASO-UHFFFAOYSA-N 2 0 317.502 3.632 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574983 1041109875 /nfs/dbraw/zinc/10/98/75/1041109875.db2.gz DCFFLJZJOYPFLT-WSTZPKSXSA-N 2 0 313.489 3.817 20 30 DHEDRP N#CCC1(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643408 1041129030 /nfs/dbraw/zinc/12/90/30/1041129030.db2.gz QOAGSVLPYOQBHB-HKUYNNGSSA-N 2 0 309.457 3.638 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442708810 335035367 /nfs/dbraw/zinc/03/53/67/335035367.db2.gz LPOWHLLZNFPLJF-FUHIMQAGSA-N 2 0 311.473 3.700 20 30 DHEDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137637 /nfs/dbraw/zinc/13/76/37/332137637.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 2 0 313.489 3.770 20 30 DHEDRP C=CCOc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000236629107 332201058 /nfs/dbraw/zinc/20/10/58/332201058.db2.gz QSBDVRDCMFFCOK-UHFFFAOYSA-N 2 0 302.462 3.650 20 30 DHEDRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763570 333172131 /nfs/dbraw/zinc/17/21/31/333172131.db2.gz YEHDRVXLEFXEHA-MAUKXSAKSA-N 2 0 317.477 3.606 20 30 DHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC(C)(C)C#N ZINC000272005712 334029741 /nfs/dbraw/zinc/02/97/41/334029741.db2.gz IWVPJBDNGBEIGE-UHFFFAOYSA-N 2 0 314.477 3.560 20 30 DHEDRP C=CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719294 334073977 /nfs/dbraw/zinc/07/39/77/334073977.db2.gz UWXYQYLTPRCKMG-INIZCTEOSA-N 2 0 322.880 3.869 20 30 DHEDRP C=CCN1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973141 334351029 /nfs/dbraw/zinc/35/10/29/334351029.db2.gz ARYVWQZZPQJEGC-SFHVURJKSA-N 2 0 304.865 3.957 20 30 DHEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000011095834 336244293 /nfs/dbraw/zinc/24/42/93/336244293.db2.gz ZXTMAGLFIKDOSM-UHFFFAOYSA-N 2 0 319.452 3.834 20 30 DHEDRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258604 336408647 /nfs/dbraw/zinc/40/86/47/336408647.db2.gz CWBBNUZOTXJVIS-HXUWFJFHSA-N 2 0 323.415 3.536 20 30 DHEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442648917 338426663 /nfs/dbraw/zinc/42/66/63/338426663.db2.gz MKSSBCDDVSVRMO-PMACEKPBSA-N 2 0 311.473 3.700 20 30 DHEDRP C=CCCCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000487874411 339764773 /nfs/dbraw/zinc/76/47/73/339764773.db2.gz FFLJNZKNLMTNPV-ROUUACIJSA-N 2 0 308.510 3.554 20 30 DHEDRP C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000509032136 340258878 /nfs/dbraw/zinc/25/88/78/340258878.db2.gz MFJAQAYCYZGULE-MRXNPFEDSA-N 2 0 319.468 3.584 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000245896565 341317653 /nfs/dbraw/zinc/31/76/53/341317653.db2.gz NEIUCLSQZXIKGU-FGTMMUONSA-N 2 0 313.489 3.967 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000106245622 1015181913 /nfs/dbraw/zinc/18/19/13/1015181913.db2.gz PTVFRPAPAXIANU-UHFFFAOYSA-N 2 0 324.472 3.515 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924980286 1012271688 /nfs/dbraw/zinc/27/16/88/1012271688.db2.gz PVICRZNYYSXTQS-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070485 1018029544 /nfs/dbraw/zinc/02/95/44/1018029544.db2.gz PHORFDWNZOSQPV-ICSRJNTNSA-N 2 0 320.521 3.602 20 30 DHEDRP C#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781424821 1021367801 /nfs/dbraw/zinc/36/78/01/1021367801.db2.gz ZBGLORPSDIVFRH-PWRODBHTSA-N 2 0 310.485 3.680 20 30 DHEDRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120247317 1022253680 /nfs/dbraw/zinc/25/36/80/1022253680.db2.gz GQJPKVMGEGKTQF-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP C=CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000768548100 1022992604 /nfs/dbraw/zinc/99/26/04/1022992604.db2.gz WRRANKMDNACTPK-UHFFFAOYSA-N 2 0 315.505 3.613 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925663817 1023023764 /nfs/dbraw/zinc/02/37/64/1023023764.db2.gz AANVZVNYZTWYLJ-SFHVURJKSA-N 2 0 313.832 3.781 20 30 DHEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000883194761 1024281811 /nfs/dbraw/zinc/28/18/11/1024281811.db2.gz CFEKRAWNBUDPHS-VQTJNVASSA-N 2 0 320.521 3.887 20 30 DHEDRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000271647124 1024555418 /nfs/dbraw/zinc/55/54/18/1024555418.db2.gz AILDIBBIKOMIKY-UHFFFAOYSA-N 2 0 319.452 3.799 20 30 DHEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172488881 1033223254 /nfs/dbraw/zinc/22/32/54/1033223254.db2.gz XDHLSDVIXXVFMH-OAHLLOKOSA-N 2 0 319.880 3.758 20 30 DHEDRP CCCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000792269880 1024657256 /nfs/dbraw/zinc/65/72/56/1024657256.db2.gz XXRITNWWDHQDLJ-PMACEKPBSA-N 2 0 323.569 3.695 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499496 1033230290 /nfs/dbraw/zinc/23/02/90/1033230290.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 2 0 311.473 3.667 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172502946 1033231117 /nfs/dbraw/zinc/23/11/17/1033231117.db2.gz NXOYONAXSARPFE-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384781 1025048177 /nfs/dbraw/zinc/04/81/77/1025048177.db2.gz LAHKPRSVZUWUTK-OXQOHEQNSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681684 1025196825 /nfs/dbraw/zinc/19/68/25/1025196825.db2.gz WTGWCYHZGGACMH-XERREHJYSA-N 2 0 323.484 3.788 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000053136858 1025503056 /nfs/dbraw/zinc/50/30/56/1025503056.db2.gz VBOGBAISQJNZDE-UHFFFAOYSA-N 2 0 319.452 3.834 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000886604758 1025732167 /nfs/dbraw/zinc/73/21/67/1025732167.db2.gz BXYRWNGZRFZSFK-UHFFFAOYSA-N 2 0 303.494 3.703 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886617317 1025742629 /nfs/dbraw/zinc/74/26/29/1025742629.db2.gz KKXMKEZFBOMKFS-BWUHRYBWSA-N 2 0 323.484 3.711 20 30 DHEDRP C[C@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306082 1025936987 /nfs/dbraw/zinc/93/69/87/1025936987.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 2 0 311.473 3.667 20 30 DHEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422987450 1027387615 /nfs/dbraw/zinc/38/76/15/1027387615.db2.gz IKIRWEYGKGWQQQ-MOPGFXCFSA-N 2 0 323.465 3.526 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423132229 1027426065 /nfs/dbraw/zinc/42/60/65/1027426065.db2.gz OXAXFEQHDCZWEX-OXQOHEQNSA-N 2 0 322.456 3.935 20 30 DHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423193721 1027452554 /nfs/dbraw/zinc/45/25/54/1027452554.db2.gz WAQXWPMMBRXXHM-MAUKXSAKSA-N 2 0 309.457 3.687 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000363168156 1027544246 /nfs/dbraw/zinc/54/42/46/1027544246.db2.gz UTPPHXMRWSXEDR-UHFFFAOYSA-N 2 0 305.510 3.951 20 30 DHEDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522643 1027581909 /nfs/dbraw/zinc/58/19/09/1027581909.db2.gz VCKZHXSAGZVHJU-KUHUBIRLSA-N 2 0 311.404 3.828 20 30 DHEDRP N#CCCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000578866722 1028259687 /nfs/dbraw/zinc/25/96/87/1028259687.db2.gz XROOTTQUKJZVLW-FQEVSTJZSA-N 2 0 311.473 3.886 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000368366389 1028343413 /nfs/dbraw/zinc/34/34/13/1028343413.db2.gz CKFJKLINBUQQLU-AABGKKOBSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@@H](CC[NH2+]C1CCC(C)(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000449173404 1028414030 /nfs/dbraw/zinc/41/40/30/1028414030.db2.gz GAYUGTLKTNFDCA-KKXNLOMOSA-N 2 0 313.489 3.959 20 30 DHEDRP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000817407988 1029150283 /nfs/dbraw/zinc/15/02/83/1029150283.db2.gz BXGVHIZTEIQEEA-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924827179 1030198150 /nfs/dbraw/zinc/19/81/50/1030198150.db2.gz AMLZRAQUPRZAEN-MRXNPFEDSA-N 2 0 301.478 3.945 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000866468366 1030309192 /nfs/dbraw/zinc/30/91/92/1030309192.db2.gz FRHZNZUKUFFWIV-HXUWFJFHSA-N 2 0 311.473 3.646 20 30 DHEDRP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925474010 1030371906 /nfs/dbraw/zinc/37/19/06/1030371906.db2.gz IAXCEUIEPOXBNM-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564531 /nfs/dbraw/zinc/56/45/31/1031564531.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 2 0 311.473 3.551 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360835368 1031581555 /nfs/dbraw/zinc/58/15/55/1031581555.db2.gz KRGYPTMUJBNFBC-NRFANRHFSA-N 2 0 323.484 3.790 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360835369 1031582344 /nfs/dbraw/zinc/58/23/44/1031582344.db2.gz KRGYPTMUJBNFBC-OAQYLSRUSA-N 2 0 323.484 3.790 20 30 DHEDRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220939 1031957612 /nfs/dbraw/zinc/95/76/12/1031957612.db2.gz FXEPOXAMZCYDTH-KRWDZBQOSA-N 2 0 313.489 3.541 20 30 DHEDRP C=CCOC1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173316154 1033710894 /nfs/dbraw/zinc/71/08/94/1033710894.db2.gz XOADGCCOLWQWRN-AFNJWWOFSA-N 2 0 308.510 3.634 20 30 DHEDRP C=CCOC1CCC([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001173319677 1033712162 /nfs/dbraw/zinc/71/21/62/1033712162.db2.gz RFQWLLACGKJXIA-BIZGZAPZSA-N 2 0 308.510 3.743 20 30 DHEDRP CC1(C#N)CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600307 1033788234 /nfs/dbraw/zinc/78/82/34/1033788234.db2.gz YZZKVWAPGGNDMR-IKJYFWGWSA-N 2 0 323.484 3.523 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519686 1034082134 /nfs/dbraw/zinc/08/21/34/1034082134.db2.gz QFGHJEFYNCSHRM-ADAARDCZSA-N 2 0 323.484 3.569 20 30 DHEDRP C=CCCCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488163020 1036882280 /nfs/dbraw/zinc/88/22/80/1036882280.db2.gz YITKOESBRHDVMC-UHFFFAOYSA-N 2 0 301.478 3.976 20 30 DHEDRP Cc1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)ccc1C#N ZINC000444000762 1036998951 /nfs/dbraw/zinc/99/89/51/1036998951.db2.gz IHWUILTVBWLJPQ-OAQYLSRUSA-N 2 0 319.452 3.621 20 30 DHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000591577895 1038935918 /nfs/dbraw/zinc/93/59/18/1038935918.db2.gz ZVRCWBJYARZIKB-JLTOFOAXSA-N 2 0 305.425 3.745 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497806 1039801857 /nfs/dbraw/zinc/80/18/57/1039801857.db2.gz GQQFIAHEVOUVOC-GOSISDBHSA-N 2 0 313.489 3.698 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593322298 1040712764 /nfs/dbraw/zinc/71/27/64/1040712764.db2.gz MABPZGAPEOCCIG-FQEVSTJZSA-N 2 0 323.415 3.713 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](C[C@H](C)CCC#N)CC1)CC1CC1 ZINC000602504568 1041072636 /nfs/dbraw/zinc/07/26/36/1041072636.db2.gz HBDZUMHQVCOZHF-QGZVFWFLSA-N 2 0 305.510 3.760 20 30 DHEDRP N#CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000602535094 1041093385 /nfs/dbraw/zinc/09/33/85/1041093385.db2.gz MVBVXYXLKJXKSK-KVZIAJEVSA-N 2 0 303.494 3.703 20 30 DHEDRP C=CCCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565226979 332649875 /nfs/dbraw/zinc/64/98/75/332649875.db2.gz PSQGMVVMDRMSJH-PKOBYXMFSA-N 2 0 300.446 3.578 20 30 DHEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181438714 333169248 /nfs/dbraw/zinc/16/92/48/333169248.db2.gz AIWFUWADVTZGOE-MRXNPFEDSA-N 2 0 323.440 3.501 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762186 333213901 /nfs/dbraw/zinc/21/39/01/333213901.db2.gz GUUQSFCUIYEOEJ-UXHICEINSA-N 2 0 311.473 3.844 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032361 333222950 /nfs/dbraw/zinc/22/29/50/333222950.db2.gz YTFGYVJGPFCECP-PKOBYXMFSA-N 2 0 303.494 3.703 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598008 334199578 /nfs/dbraw/zinc/19/95/78/334199578.db2.gz OSZNQFMPRHGTHA-WOJBJXKFSA-N 2 0 323.484 3.667 20 30 DHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342808765 334578971 /nfs/dbraw/zinc/57/89/71/334578971.db2.gz QGUIEAULTPBQNX-DLBZAZTESA-N 2 0 316.489 3.850 20 30 DHEDRP C[N@H+](CCC(C)(C)C#N)[C@H]1CCC[NH+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346257 /nfs/dbraw/zinc/34/62/57/335346257.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 2 0 318.509 3.652 20 30 DHEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000348220174 335562782 /nfs/dbraw/zinc/56/27/82/335562782.db2.gz UKYWLYGSENFFDC-INIZCTEOSA-N 2 0 317.477 3.608 20 30 DHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121803174 336980600 /nfs/dbraw/zinc/98/06/00/336980600.db2.gz RJOOBVYUYCYAKX-UHFFFAOYSA-N 2 0 311.473 3.646 20 30 DHEDRP C=C(Br)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375486761 337012095 /nfs/dbraw/zinc/01/20/95/337012095.db2.gz YVIMKHAKIQXMEV-HZPDHXFCSA-N 2 0 323.278 3.568 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515176 337074976 /nfs/dbraw/zinc/07/49/76/337074976.db2.gz FXHWLNLYEQABJS-NDXORKPFSA-N 2 0 319.452 3.902 20 30 DHEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439432399 338369195 /nfs/dbraw/zinc/36/91/95/338369195.db2.gz TVWGCVUIVSUOCQ-UHFFFAOYSA-N 2 0 319.880 3.765 20 30 DHEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442789698 338431535 /nfs/dbraw/zinc/43/15/35/338431535.db2.gz KENMNDIFEAPFJB-PXNSSMCTSA-N 2 0 311.473 3.700 20 30 DHEDRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424424 339204277 /nfs/dbraw/zinc/20/42/77/339204277.db2.gz HXVKDSOZGBMUTK-DYESRHJHSA-N 2 0 319.452 3.526 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512659488 340371584 /nfs/dbraw/zinc/37/15/84/340371584.db2.gz HJPPCVDVOARMDD-HUUCEWRRSA-N 2 0 305.441 3.858 20 30 DHEDRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000442833938 1014747276 /nfs/dbraw/zinc/74/72/76/1014747276.db2.gz VTOTZBGGHWJNHD-GTAWCEEGSA-N 2 0 311.473 3.569 20 30 DHEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826225 1015756628 /nfs/dbraw/zinc/75/66/28/1015756628.db2.gz QJUFHRRTCQVZBR-LJQANCHMSA-N 2 0 311.473 3.788 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(OCCC)cc2C)CC1 ZINC000657353577 1016422683 /nfs/dbraw/zinc/42/26/83/1016422683.db2.gz RZKSMSHEAIFFDJ-UHFFFAOYSA-N 2 0 316.489 3.914 20 30 DHEDRP C[C@@H](CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422579 1032230843 /nfs/dbraw/zinc/23/08/43/1032230843.db2.gz ANJDAHAGRYCATJ-OXJNMPFZSA-N 2 0 311.473 3.790 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000092588089 1032504351 /nfs/dbraw/zinc/50/43/51/1032504351.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 2 0 305.510 3.903 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000764635457 1018337253 /nfs/dbraw/zinc/33/72/53/1018337253.db2.gz MXOTYNBSBXTLNY-HNNXBMFYSA-N 2 0 314.473 3.658 20 30 DHEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585556 1018429378 /nfs/dbraw/zinc/42/93/78/1018429378.db2.gz KLXFUFQYYPIZLL-AZUAARDMSA-N 2 0 313.489 3.967 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000765452257 1018790419 /nfs/dbraw/zinc/79/04/19/1018790419.db2.gz ZMWGUTRBSLMSHU-LSDHHAIUSA-N 2 0 310.869 3.809 20 30 DHEDRP N#CCC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000310550169 1019173715 /nfs/dbraw/zinc/17/37/15/1019173715.db2.gz WDLXUYDMUPGXLA-UHFFFAOYSA-N 2 0 323.484 3.668 20 30 DHEDRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390744 1019465845 /nfs/dbraw/zinc/46/58/45/1019465845.db2.gz RPBQCHULZGIWLH-FQEVSTJZSA-N 2 0 311.473 3.646 20 30 DHEDRP C(#Cc1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000736354970 1020810692 /nfs/dbraw/zinc/81/06/92/1020810692.db2.gz AESAOGGEJBDQKW-UHFFFAOYSA-N 2 0 318.464 3.814 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000131438490 1032932137 /nfs/dbraw/zinc/93/21/37/1032932137.db2.gz CCKSFUKWUIKBSU-UHFFFAOYSA-N 2 0 313.489 3.770 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181866828 1021377724 /nfs/dbraw/zinc/37/77/24/1021377724.db2.gz ZKNGHZLRJSBLTA-QGZVFWFLSA-N 2 0 313.489 3.967 20 30 DHEDRP C=CCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000850502999 1021565124 /nfs/dbraw/zinc/56/51/24/1021565124.db2.gz YUZMJBNEXCKSPL-INIZCTEOSA-N 2 0 302.462 3.908 20 30 DHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136221 1021924020 /nfs/dbraw/zinc/92/40/20/1021924020.db2.gz ZFPGAUMGNJBIBU-XLIONFOSSA-N 2 0 319.452 3.731 20 30 DHEDRP C[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229249 1022225414 /nfs/dbraw/zinc/22/54/14/1022225414.db2.gz IOZFCFSOWMIYRN-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000180792876 1022828483 /nfs/dbraw/zinc/82/84/83/1022828483.db2.gz YGPIOHATVODSBU-UHFFFAOYSA-N 2 0 319.518 3.954 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180789440 1022830947 /nfs/dbraw/zinc/83/09/47/1022830947.db2.gz DSWQIQBIFCGXEK-UHFFFAOYSA-N 2 0 319.518 3.954 20 30 DHEDRP CCC(CC)[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299595 1033103662 /nfs/dbraw/zinc/10/36/62/1033103662.db2.gz LXLPBTOCZILLIL-INIZCTEOSA-N 2 0 313.489 3.732 20 30 DHEDRP CCC(CC)[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299596 1033104098 /nfs/dbraw/zinc/10/40/98/1033104098.db2.gz LXLPBTOCZILLIL-MRXNPFEDSA-N 2 0 313.489 3.732 20 30 DHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCC(OC)CC3)CCCC2)C1 ZINC000651716414 1023486821 /nfs/dbraw/zinc/48/68/21/1023486821.db2.gz XGYKEPSJEZWGGJ-MSOLQXFVSA-N 2 0 320.521 3.744 20 30 DHEDRP CCCCCCC[C@H](CCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172508489 1033237696 /nfs/dbraw/zinc/23/76/96/1033237696.db2.gz KYUGLJBYPSSBES-IBGZPJMESA-N 2 0 311.558 3.872 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000350561127 1024825944 /nfs/dbraw/zinc/82/59/44/1024825944.db2.gz RIPYSVYCAGXSBZ-RKDVLTNBSA-N 2 0 323.484 3.607 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000793551893 1025099268 /nfs/dbraw/zinc/09/92/68/1025099268.db2.gz WFWMHUMDFNORGK-YSIASYRMSA-N 2 0 322.537 3.869 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000886637866 1025754791 /nfs/dbraw/zinc/75/47/91/1025754791.db2.gz GZSOMAWPPVFIJF-UHFFFAOYSA-N 2 0 303.494 3.847 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624079 1026575078 /nfs/dbraw/zinc/57/50/78/1026575078.db2.gz GEWQIDCPKSKEDS-GCJKJVERSA-N 2 0 318.464 3.668 20 30 DHEDRP C#Cc1ccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809739562 1026610779 /nfs/dbraw/zinc/61/07/79/1026610779.db2.gz OLENMBIEBLJSMI-UHFFFAOYSA-N 2 0 306.453 3.752 20 30 DHEDRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193707 1026704886 /nfs/dbraw/zinc/70/48/86/1026704886.db2.gz PFYIDFYOESMIAI-GPMSIDNRSA-N 2 0 311.473 3.862 20 30 DHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000367900272 1028257077 /nfs/dbraw/zinc/25/70/77/1028257077.db2.gz JBYPOVDYJPHERD-WMZOPIPTSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000368649702 1028387925 /nfs/dbraw/zinc/38/79/25/1028387925.db2.gz HYOFVDQLPHHATE-VBSBHUPXSA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678892 1028882292 /nfs/dbraw/zinc/88/22/92/1028882292.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 2 0 305.510 3.903 20 30 DHEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449702134 1028921581 /nfs/dbraw/zinc/92/15/81/1028921581.db2.gz YGGSXJGUTZOWBO-QGZVFWFLSA-N 2 0 310.526 3.582 20 30 DHEDRP CCCCCCCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817284754 1029114017 /nfs/dbraw/zinc/11/40/17/1029114017.db2.gz AKRASLWWCBTPLW-UHFFFAOYSA-N 2 0 323.569 3.839 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018904 1029189276 /nfs/dbraw/zinc/18/92/76/1029189276.db2.gz QAMFEMIYOPYMCB-XUVXKRRUSA-N 2 0 323.484 3.571 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450495301 1029516619 /nfs/dbraw/zinc/51/66/19/1029516619.db2.gz UKAWMONAOGCHCJ-KRWDZBQOSA-N 2 0 303.494 3.657 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCN2C2CCCCCC2)CC1 ZINC000865805084 1030032023 /nfs/dbraw/zinc/03/20/23/1030032023.db2.gz QDKFFFSZOYIWSB-CUYAVPTFSA-N 2 0 303.494 3.846 20 30 DHEDRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571722 1030540815 /nfs/dbraw/zinc/54/08/15/1030540815.db2.gz PKAUJLAAIVHWIW-LSDHHAIUSA-N 2 0 303.425 3.612 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000844925961 1031403799 /nfs/dbraw/zinc/40/37/99/1031403799.db2.gz SHZPFWRAPBNDDI-OAHLLOKOSA-N 2 0 322.880 3.858 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001171183328 1031595015 /nfs/dbraw/zinc/59/50/15/1031595015.db2.gz DOZBUISKFBDIGY-BPAFIMBUSA-N 2 0 313.489 3.623 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000360884658 1031604678 /nfs/dbraw/zinc/60/46/78/1031604678.db2.gz PYSWAWBWIBNVTD-NRFANRHFSA-N 2 0 323.484 3.790 20 30 DHEDRP CCCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171196097 1031661720 /nfs/dbraw/zinc/66/17/20/1031661720.db2.gz XOBLATVZRBQDOH-KRWDZBQOSA-N 2 0 313.489 3.591 20 30 DHEDRP CC(C)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201655 1031760415 /nfs/dbraw/zinc/76/04/15/1031760415.db2.gz PPJLDUARIKZIPW-NSISKUIASA-N 2 0 313.489 3.717 20 30 DHEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)CC1 ZINC000930310188 1031776466 /nfs/dbraw/zinc/77/64/66/1031776466.db2.gz SMZDGFUMUPTGKB-UHFFFAOYSA-N 2 0 317.864 3.519 20 30 DHEDRP N#CCC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001173324116 1033685772 /nfs/dbraw/zinc/68/57/72/1033685772.db2.gz IJRCQJSCYUSJKV-UHFFFAOYSA-N 2 0 311.473 3.844 20 30 DHEDRP N#CCC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173333542 1033691862 /nfs/dbraw/zinc/69/18/62/1033691862.db2.gz JOPZIZMEIHQBSA-UHFFFAOYSA-N 2 0 303.494 3.846 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](C(CC)CC)CC2)CC1 ZINC001173317197 1033709774 /nfs/dbraw/zinc/70/97/74/1033709774.db2.gz SHXLYMPSYWDGLN-UHFFFAOYSA-N 2 0 308.510 3.743 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001173316741 1033711261 /nfs/dbraw/zinc/71/12/61/1033711261.db2.gz MJWVLTXLIRDRON-UHFFFAOYSA-N 2 0 308.510 3.600 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194722 1034361285 /nfs/dbraw/zinc/36/12/85/1034361285.db2.gz MJHMJZXQVUUCMM-JTDSTZFVSA-N 2 0 311.473 3.862 20 30 DHEDRP C=CCCCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000487874409 1036758492 /nfs/dbraw/zinc/75/84/92/1036758492.db2.gz FFLJNZKNLMTNPV-HDICACEKSA-N 2 0 308.510 3.554 20 30 DHEDRP C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000271960409 1036766415 /nfs/dbraw/zinc/76/64/15/1036766415.db2.gz RCHZZMRNUZPJSP-CQSZACIVSA-N 2 0 312.392 3.635 20 30 DHEDRP CCCCCCCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001201826514 1037911063 /nfs/dbraw/zinc/91/10/63/1037911063.db2.gz ZAXVVLGALLDDDR-UHFFFAOYSA-N 2 0 311.558 3.696 20 30 DHEDRP N#CC1(c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2)CC1 ZINC000594945738 1039960689 /nfs/dbraw/zinc/96/06/89/1039960689.db2.gz WOOYOCOFMJHSDD-UHFFFAOYSA-N 2 0 311.473 3.597 20 30 DHEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000595058654 1040021966 /nfs/dbraw/zinc/02/19/66/1040021966.db2.gz IHJJZKGGDYZQRK-MJGOQNOKSA-N 2 0 318.530 3.796 20 30 DHEDRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623486 /nfs/dbraw/zinc/62/34/86/1040623486.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 0 311.473 3.548 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574976 1041111500 /nfs/dbraw/zinc/11/15/00/1041111500.db2.gz DCFFLJZJOYPFLT-GGPKGHCWSA-N 2 0 313.489 3.817 20 30 DHEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449523356 332354270 /nfs/dbraw/zinc/35/42/70/332354270.db2.gz XORJHHRTTJXGEZ-SJORKVTESA-N 2 0 308.510 3.599 20 30 DHEDRP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295123171 334219108 /nfs/dbraw/zinc/21/91/08/334219108.db2.gz WWZYGWDGXBIQAZ-ZULIPRJHSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342808766 334578776 /nfs/dbraw/zinc/57/87/76/334578776.db2.gz QGUIEAULTPBQNX-IAGOWNOFSA-N 2 0 316.489 3.850 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000378476353 337073803 /nfs/dbraw/zinc/07/38/03/337073803.db2.gz RYBGWRKQEJNDNT-NEWSRXKRSA-N 2 0 318.509 3.528 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000421368071 337532771 /nfs/dbraw/zinc/53/27/71/337532771.db2.gz GAOQJVHKQCJWBE-UHFFFAOYSA-N 2 0 322.880 3.867 20 30 DHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473832 337721388 /nfs/dbraw/zinc/72/13/88/337721388.db2.gz OJSZWZVUBHDAGS-JHDROBOHSA-N 2 0 304.453 3.709 20 30 DHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507018 337723724 /nfs/dbraw/zinc/72/37/24/337723724.db2.gz JJTHXOJXRRPMCW-VQTJNVASSA-N 2 0 305.425 3.615 20 30 DHEDRP CC(C)(CC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000459739723 339045395 /nfs/dbraw/zinc/04/53/95/339045395.db2.gz YZMCZMQGDOZUDM-YQQQUEKLSA-N 2 0 311.473 3.711 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283657 339113237 /nfs/dbraw/zinc/11/32/37/339113237.db2.gz OAGVHEWRFGIPDU-QZTJIDSGSA-N 2 0 303.494 3.847 20 30 DHEDRP C=CCOc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1Cl ZINC000470006847 339308224 /nfs/dbraw/zinc/30/82/24/339308224.db2.gz VLZUNCKTTYJJNR-UHFFFAOYSA-N 2 0 322.880 3.869 20 30 DHEDRP C[NH+](C)CCCC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000501773302 340088361 /nfs/dbraw/zinc/08/83/61/340088361.db2.gz ZQJSYXMSKXGEBS-UHFFFAOYSA-N 2 0 318.892 3.745 20 30 DHEDRP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667906 340372009 /nfs/dbraw/zinc/37/20/09/340372009.db2.gz RUWOZVFDSFEMBP-SUMWQHHRSA-N 2 0 305.441 3.714 20 30 DHEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551564341 341345593 /nfs/dbraw/zinc/34/55/93/341345593.db2.gz NZLASYQBPQEQOR-GOSISDBHSA-N 2 0 316.489 3.994 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181696804 520258213 /nfs/dbraw/zinc/25/82/13/520258213.db2.gz OPRZKJZQQTTXDN-INIZCTEOSA-N 2 0 307.441 3.861 20 30 DHEDRP N#CC12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)(CC1)CC2 ZINC001167967900 1013345726 /nfs/dbraw/zinc/34/57/26/1013345726.db2.gz KNSOHBDFYRLFLM-HGVRWNOSSA-N 2 0 313.489 3.598 20 30 DHEDRP C=CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)(C)C ZINC001140309282 1014474130 /nfs/dbraw/zinc/47/41/30/1014474130.db2.gz ABQWLUOIMMKESV-UHFFFAOYSA-N 2 0 315.505 3.615 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442706543 1014717965 /nfs/dbraw/zinc/71/79/65/1014717965.db2.gz DUOUXNQHUJIKHR-FUHIMQAGSA-N 2 0 311.473 3.843 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442706546 1014719289 /nfs/dbraw/zinc/71/92/89/1014719289.db2.gz DUOUXNQHUJIKHR-HLIPFELVSA-N 2 0 311.473 3.843 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000895826524 1015312800 /nfs/dbraw/zinc/31/28/00/1015312800.db2.gz XSNCPVUHLHFJKP-QGZVFWFLSA-N 2 0 313.489 3.568 20 30 DHEDRP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304344 1032132489 /nfs/dbraw/zinc/13/24/89/1032132489.db2.gz XETYBFZRLBFVDD-KLAILNCOSA-N 2 0 302.462 3.775 20 30 DHEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167960319 1012675635 /nfs/dbraw/zinc/67/56/35/1012675635.db2.gz XYEQKTOXSDNLNF-PHHCVGHBSA-N 2 0 309.457 3.614 20 30 DHEDRP CCc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303908595 1017457657 /nfs/dbraw/zinc/45/76/57/1017457657.db2.gz XQMQFIFUDHWCMH-INIZCTEOSA-N 2 0 316.493 3.630 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000174373035 1018422188 /nfs/dbraw/zinc/42/21/88/1018422188.db2.gz AJRLMAPJGIPAQV-GOSISDBHSA-N 2 0 305.510 3.951 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000247113095 1018704926 /nfs/dbraw/zinc/70/49/26/1018704926.db2.gz QQPUYCQSDJKXCV-HZPDHXFCSA-N 2 0 322.880 3.810 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921547892 1019041979 /nfs/dbraw/zinc/04/19/79/1019041979.db2.gz GHLYRGJQBAUEHB-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000611254605 1019421188 /nfs/dbraw/zinc/42/11/88/1019421188.db2.gz FBVRQRXYPVLBSU-UHFFFAOYSA-N 2 0 317.502 3.708 20 30 DHEDRP C=C(C)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000681401511 1019576808 /nfs/dbraw/zinc/57/68/08/1019576808.db2.gz XOMATKDGYZUNLT-UGSOOPFHSA-N 2 0 308.416 3.902 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096627 1019662575 /nfs/dbraw/zinc/66/25/75/1019662575.db2.gz FRLWBDHOGSKRGH-UTKZUKDTSA-N 2 0 319.452 3.558 20 30 DHEDRP CCCCCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000740876577 1020957967 /nfs/dbraw/zinc/95/79/67/1020957967.db2.gz UIBFQDQFSOXUFG-WOJBJXKFSA-N 2 0 323.569 3.837 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117291 1033018965 /nfs/dbraw/zinc/01/89/65/1033018965.db2.gz KWLWQWQYQVRIMT-REPLKXPHSA-N 2 0 309.542 3.623 20 30 DHEDRP CCCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312367 1033082981 /nfs/dbraw/zinc/08/29/81/1033082981.db2.gz GHEVGXWVTQDWBW-QGZVFWFLSA-N 2 0 313.489 3.686 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299611 1033103798 /nfs/dbraw/zinc/10/37/98/1033103798.db2.gz MOXMLAZQOUIULB-DZIBYMRMSA-N 2 0 313.489 3.732 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172355446 1033136685 /nfs/dbraw/zinc/13/66/85/1033136685.db2.gz OSSDUSDPXRPFRD-HXUWFJFHSA-N 2 0 323.569 3.839 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001172486190 1033198588 /nfs/dbraw/zinc/19/85/88/1033198588.db2.gz CGRHFYUWIZNDAJ-KRWDZBQOSA-N 2 0 305.510 3.951 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001172486370 1033198612 /nfs/dbraw/zinc/19/86/12/1033198612.db2.gz BMRYPVIIPGNVMY-INIZCTEOSA-N 2 0 317.452 3.710 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492293 1033222682 /nfs/dbraw/zinc/22/26/82/1033222682.db2.gz LXPOTBNGTZKZHM-VDGAXYAQSA-N 2 0 324.472 3.713 20 30 DHEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499490 1033228702 /nfs/dbraw/zinc/22/87/02/1033228702.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 2 0 311.473 3.667 20 30 DHEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2C#N)CC1 ZINC001139690490 1024727061 /nfs/dbraw/zinc/72/70/61/1024727061.db2.gz CEAJDDYSDZYSHR-UHFFFAOYSA-N 2 0 319.880 3.764 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172504561 1033234127 /nfs/dbraw/zinc/23/41/27/1033234127.db2.gz GIYLAHBMBUAUFY-LJQANCHMSA-N 2 0 311.558 3.872 20 30 DHEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359444 1024752712 /nfs/dbraw/zinc/75/27/12/1024752712.db2.gz YBULKPKAKZFNNW-MFRAEPQCSA-N 2 0 323.484 3.605 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000350561125 1024828816 /nfs/dbraw/zinc/82/88/16/1024828816.db2.gz RIPYSVYCAGXSBZ-JWFWCLOMSA-N 2 0 323.484 3.607 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384897 1025048249 /nfs/dbraw/zinc/04/82/49/1025048249.db2.gz LSBUPTUQSQQKOL-OXJNMPFZSA-N 2 0 311.473 3.790 20 30 DHEDRP C=CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000093088644 1025350130 /nfs/dbraw/zinc/35/01/30/1025350130.db2.gz ZVQHJQKXWSOIQH-UHFFFAOYSA-N 2 0 322.880 3.678 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000886622035 1025747172 /nfs/dbraw/zinc/74/71/72/1025747172.db2.gz IXZYILZLBCANLQ-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498924 1026528016 /nfs/dbraw/zinc/52/80/16/1026528016.db2.gz CRDFUNNXWOWTEY-SJLPKXTDSA-N 2 0 323.440 3.542 20 30 DHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422987452 1027385943 /nfs/dbraw/zinc/38/59/43/1027385943.db2.gz IKIRWEYGKGWQQQ-RBUKOAKNSA-N 2 0 323.465 3.526 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946537 1027443834 /nfs/dbraw/zinc/44/38/34/1027443834.db2.gz LNKFFGKJXFNRRR-HSALFYBXSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423193723 1027453151 /nfs/dbraw/zinc/45/31/51/1027453151.db2.gz WAQXWPMMBRXXHM-YJBOKZPZSA-N 2 0 309.457 3.687 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000813878180 1027748225 /nfs/dbraw/zinc/74/82/25/1027748225.db2.gz LEOHQYGGINFWQI-HIFRSBDPSA-N 2 0 310.869 3.666 20 30 DHEDRP N#CC1CCC(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000367036747 1028124226 /nfs/dbraw/zinc/12/42/26/1028124226.db2.gz PHZLRZNJQYMTHN-UHFFFAOYSA-N 2 0 317.521 3.951 20 30 DHEDRP N#CCCCC[NH+]1CCCC2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC000368240372 1028325500 /nfs/dbraw/zinc/32/55/00/1028325500.db2.gz JBFPNYGEWQJIEL-UHFFFAOYSA-N 2 0 316.493 3.552 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449179685 1028433718 /nfs/dbraw/zinc/43/37/18/1028433718.db2.gz WIBIOENMHLXJJT-UHFFFAOYSA-N 2 0 305.510 3.807 20 30 DHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449445032 1028647114 /nfs/dbraw/zinc/64/71/14/1028647114.db2.gz GMKPQYKHHXIAMC-NEPXVJNWSA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678895 1028883010 /nfs/dbraw/zinc/88/30/10/1028883010.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 2 0 305.510 3.903 20 30 DHEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCCC(C)(C)C#N)CC2)C1CC1 ZINC000373117315 1028955523 /nfs/dbraw/zinc/95/55/23/1028955523.db2.gz FIKOMIDFXOGRBZ-KRWDZBQOSA-N 2 0 317.521 3.903 20 30 DHEDRP N#CC1(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297548 1029099459 /nfs/dbraw/zinc/09/94/59/1029099459.db2.gz UIHGXJAYTBYQEV-SFHVURJKSA-N 2 0 303.494 3.801 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163311085 1029169036 /nfs/dbraw/zinc/16/90/36/1029169036.db2.gz QQPUYCQSDJKXCV-HOTGVXAUSA-N 2 0 322.880 3.810 20 30 DHEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CC(C)(C)CCC#N)CC2)C1CC1 ZINC000374284310 1029274405 /nfs/dbraw/zinc/27/44/05/1029274405.db2.gz SVNAEAFIHVPNCQ-INIZCTEOSA-N 2 0 303.494 3.513 20 30 DHEDRP C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000570013530 1029300555 /nfs/dbraw/zinc/30/05/55/1029300555.db2.gz QTLMALJIKXQTHT-INIZCTEOSA-N 2 0 304.478 3.880 20 30 DHEDRP N#Cc1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000865717788 1029987295 /nfs/dbraw/zinc/98/72/95/1029987295.db2.gz LFIYLRGEWFJPQW-UHFFFAOYSA-N 2 0 323.440 3.543 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866231955 1030169101 /nfs/dbraw/zinc/16/91/01/1030169101.db2.gz AVCYQSWRRSVZOK-JKSUJKDBSA-N 2 0 315.461 3.569 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866470611 1030309943 /nfs/dbraw/zinc/30/99/43/1030309943.db2.gz VQDJHLAPLXJQKG-WOJBJXKFSA-N 2 0 311.473 3.571 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925847845 1030519298 /nfs/dbraw/zinc/51/92/98/1030519298.db2.gz YSSOXVVLWZSUOX-GOLJUSPKSA-N 2 0 323.484 3.512 20 30 DHEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663455 1031511624 /nfs/dbraw/zinc/51/16/24/1031511624.db2.gz JQVNHHANLGFWGK-GGPKGHCWSA-N 2 0 311.473 3.788 20 30 DHEDRP N#CC1(CCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718275 1031587816 /nfs/dbraw/zinc/58/78/16/1031587816.db2.gz DJSLQZHKWVBDRC-GOSISDBHSA-N 2 0 303.494 3.658 20 30 DHEDRP C[NH+](C)CCCC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000930146611 1031714888 /nfs/dbraw/zinc/71/48/88/1031714888.db2.gz HRZUAOVHUBOWAJ-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP C=CC[N@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200288 1031756836 /nfs/dbraw/zinc/75/68/36/1031756836.db2.gz ALOTUIQFXMFAFD-UHFFFAOYSA-N 2 0 304.484 3.644 20 30 DHEDRP CCCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232407 1032018507 /nfs/dbraw/zinc/01/85/07/1032018507.db2.gz RIZGTLLEDVZYGD-QGZVFWFLSA-N 2 0 313.489 3.686 20 30 DHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000877684185 1033409431 /nfs/dbraw/zinc/40/94/31/1033409431.db2.gz PQNRTAYDRNHBNO-UHFFFAOYSA-N 2 0 323.484 3.550 20 30 DHEDRP N#CCC1CCC([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173332056 1033691920 /nfs/dbraw/zinc/69/19/20/1033691920.db2.gz HBQSBVAXMCCXRJ-UHFFFAOYSA-N 2 0 315.436 3.548 20 30 DHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001183535157 1036623233 /nfs/dbraw/zinc/62/32/33/1036623233.db2.gz UOABRRUTAJOTIJ-LJQANCHMSA-N 2 0 315.505 3.663 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497807 1039800436 /nfs/dbraw/zinc/80/04/36/1039800436.db2.gz GQQFIAHEVOUVOC-SFHVURJKSA-N 2 0 313.489 3.698 20 30 DHEDRP C[C@H](CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000594944777 1039960755 /nfs/dbraw/zinc/96/07/55/1039960755.db2.gz WIRDSZUZKMELQL-QGZVFWFLSA-N 2 0 311.473 3.596 20 30 DHEDRP CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022973 1040855946 /nfs/dbraw/zinc/85/59/46/1040855946.db2.gz VEIKDTRWRFEEMU-UXHICEINSA-N 2 0 307.441 3.559 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000602545329 1041083883 /nfs/dbraw/zinc/08/38/83/1041083883.db2.gz PKRPFCRJDBZOEA-GOSISDBHSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602590059 1041106340 /nfs/dbraw/zinc/10/63/40/1041106340.db2.gz VSSVELDIJXUAGL-AILXTGBUSA-N 2 0 311.473 3.569 20 30 DHEDRP CC(C)(C#N)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289454235 334165509 /nfs/dbraw/zinc/16/55/09/334165509.db2.gz XOIIDYYKMVBGKO-UHFFFAOYSA-N 2 0 322.456 3.687 20 30 DHEDRP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295123169 334219127 /nfs/dbraw/zinc/21/91/27/334219127.db2.gz WWZYGWDGXBIQAZ-UMGGQSCQSA-N 2 0 311.473 3.569 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000532563562 336255636 /nfs/dbraw/zinc/25/56/36/336255636.db2.gz DFZPKVVLMVODRQ-IEBWSBKVSA-N 2 0 317.452 3.688 20 30 DHEDRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838069 336723861 /nfs/dbraw/zinc/72/38/61/336723861.db2.gz ARCSRHJUDCOTRQ-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP C=CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000432802285 338168562 /nfs/dbraw/zinc/16/85/62/338168562.db2.gz ZBVPIESFMQXZPX-MRXNPFEDSA-N 2 0 322.880 3.821 20 30 DHEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777202 338430449 /nfs/dbraw/zinc/43/04/49/338430449.db2.gz IMPAUSHYMKZUTA-PXNSSMCTSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000512646768 340370773 /nfs/dbraw/zinc/37/07/73/340370773.db2.gz CZEZLJROUFOVPB-MRXNPFEDSA-N 2 0 317.452 3.860 20 30 DHEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245941860 341319070 /nfs/dbraw/zinc/31/90/70/341319070.db2.gz VABIHBYRDWZBSN-KZNAEPCWSA-N 2 0 313.489 3.967 20 30 DHEDRP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000248624149 341381864 /nfs/dbraw/zinc/38/18/64/341381864.db2.gz CGEQOYSKNBRAIC-TWOQFEAHSA-N 2 0 307.441 3.900 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189325836 1014173861 /nfs/dbraw/zinc/17/38/61/1014173861.db2.gz ODFAIZZNQWAGCL-UHFFFAOYSA-N 2 0 309.457 3.673 20 30 DHEDRP CC(C)(C#N)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610447615 1014230626 /nfs/dbraw/zinc/23/06/26/1014230626.db2.gz YFMAWVQHCBGKFD-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610068 /nfs/dbraw/zinc/61/00/68/1014610068.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 2 0 313.489 3.792 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2ccnc2)cc1 ZINC000192620803 1032590015 /nfs/dbraw/zinc/59/00/15/1032590015.db2.gz FDXRKDIRRISGCR-CQSZACIVSA-N 2 0 320.371 3.734 20 30 DHEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000303873270 1017452050 /nfs/dbraw/zinc/45/20/50/1017452050.db2.gz CKBUGVSSEPWHFB-LSDHHAIUSA-N 2 0 304.482 3.657 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523862961 1017809913 /nfs/dbraw/zinc/80/99/13/1017809913.db2.gz FBRVBGOJKWIPDP-SFHVURJKSA-N 2 0 304.478 3.707 20 30 DHEDRP C=C(C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000675784251 1018592376 /nfs/dbraw/zinc/59/23/76/1018592376.db2.gz XDNOAZGPMZMYJL-SFHVURJKSA-N 2 0 324.468 3.991 20 30 DHEDRP C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1cccc(C#N)c1 ZINC000612185554 1020390078 /nfs/dbraw/zinc/39/00/78/1020390078.db2.gz MBEHCTVVRHMUTK-CYBMUJFWSA-N 2 0 308.410 3.656 20 30 DHEDRP C=CCCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483818 1021558883 /nfs/dbraw/zinc/55/88/83/1021558883.db2.gz VEGIPJLULTVZPH-GOSISDBHSA-N 2 0 322.537 3.992 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271887560 1022485482 /nfs/dbraw/zinc/48/54/82/1022485482.db2.gz RDUAFJIRBZWCCJ-IRXDYDNUSA-N 2 0 317.477 3.750 20 30 DHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001172300481 1033071407 /nfs/dbraw/zinc/07/14/07/1033071407.db2.gz WBFUKPSXKHBTGK-INIZCTEOSA-N 2 0 313.489 3.589 20 30 DHEDRP CC[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(C#N)cc1 ZINC000278834997 1023104559 /nfs/dbraw/zinc/10/45/59/1023104559.db2.gz UIZCMBYVRIUGRH-GOSISDBHSA-N 2 0 308.429 3.886 20 30 DHEDRP CCCCCCC[C@H](CC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172345707 1033129076 /nfs/dbraw/zinc/12/90/76/1033129076.db2.gz BULUPNUMEGZLJI-SFHVURJKSA-N 2 0 311.558 3.741 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095608 1023626713 /nfs/dbraw/zinc/62/67/13/1023626713.db2.gz RMVWVCBDIWFMDK-AABGKKOBSA-N 2 0 323.484 3.571 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001172480662 1033192402 /nfs/dbraw/zinc/19/24/02/1033192402.db2.gz WNFWSRSCVIWHDY-VBSBHUPXSA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172499144 1033228780 /nfs/dbraw/zinc/22/87/80/1033228780.db2.gz BAZIBOTVKNDDLF-GOSISDBHSA-N 2 0 313.489 3.913 20 30 DHEDRP CCCCCCCC[C@H](CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172503532 1033232728 /nfs/dbraw/zinc/23/27/28/1033232728.db2.gz GFIUYKUWIQUZGZ-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP CC[C@@H](C)CO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000793146010 1024914514 /nfs/dbraw/zinc/91/45/14/1024914514.db2.gz NVXFJOPXGYXZIB-MRXNPFEDSA-N 2 0 317.477 3.614 20 30 DHEDRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169129 1025792726 /nfs/dbraw/zinc/79/27/26/1025792726.db2.gz WNIGMFHGHSBMLU-UHFFFAOYSA-N 2 0 313.489 3.794 20 30 DHEDRP N#CC1(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000411177493 1025869229 /nfs/dbraw/zinc/86/92/29/1025869229.db2.gz VRMUPXROQJXRJS-UHFFFAOYSA-N 2 0 303.494 3.658 20 30 DHEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498919 1026526850 /nfs/dbraw/zinc/52/68/50/1026526850.db2.gz CRDFUNNXWOWTEY-AEFFLSMTSA-N 2 0 323.440 3.542 20 30 DHEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423034377 1027398168 /nfs/dbraw/zinc/39/81/68/1027398168.db2.gz XNFOTGAQOSYOKA-WDYCEAGBSA-N 2 0 300.446 3.577 20 30 DHEDRP C=C(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036116 1027400272 /nfs/dbraw/zinc/40/02/72/1027400272.db2.gz ZXCUPQDJFSGNNJ-PZJWPPBQSA-N 2 0 320.436 3.545 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000368366391 1028341217 /nfs/dbraw/zinc/34/12/17/1028341217.db2.gz CKFJKLINBUQQLU-HSALFYBXSA-N 2 0 311.473 3.571 20 30 DHEDRP CC1(C#N)CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000449109213 1028358676 /nfs/dbraw/zinc/35/86/76/1028358676.db2.gz XIAFYQNRSFQWPO-UHFFFAOYSA-N 2 0 303.494 3.703 20 30 DHEDRP CC1(C#N)CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000449176776 1028417775 /nfs/dbraw/zinc/41/77/75/1028417775.db2.gz NNLHVCFCSQUELN-UHFFFAOYSA-N 2 0 303.494 3.846 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000815647903 1028592632 /nfs/dbraw/zinc/59/26/32/1028592632.db2.gz XYSAUDNXOFZBMN-GOSISDBHSA-N 2 0 314.473 3.615 20 30 DHEDRP CC(C)c1nccn1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000371380039 1028697927 /nfs/dbraw/zinc/69/79/27/1028697927.db2.gz QCWWPYPBUUOPIM-INIZCTEOSA-N 2 0 302.466 3.973 20 30 DHEDRP CC[NH+](CC)CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411175825 1029055392 /nfs/dbraw/zinc/05/53/92/1029055392.db2.gz RRYHOBJCHNHPOQ-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP CCCCCCC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817891805 1029262974 /nfs/dbraw/zinc/26/29/74/1029262974.db2.gz HHNIWTDHOHVOAR-ZSYWTGECSA-N 2 0 310.526 3.730 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966498 1029308006 /nfs/dbraw/zinc/30/80/06/1029308006.db2.gz PBQUAWHBULIMJV-QAPCUYQASA-N 2 0 322.880 3.858 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817976225 1029314250 /nfs/dbraw/zinc/31/42/50/1029314250.db2.gz WDVHOHTUTUFXCG-HUUCEWRRSA-N 2 0 310.869 3.986 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000817984217 1029320731 /nfs/dbraw/zinc/32/07/31/1029320731.db2.gz OSHZAEIVQGQBEA-CQSZACIVSA-N 2 0 308.853 3.611 20 30 DHEDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817981994 1029320918 /nfs/dbraw/zinc/32/09/18/1029320918.db2.gz ARIGTQYZAAJVIY-JXFKEZNVSA-N 2 0 323.440 3.720 20 30 DHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001246188077 1030048108 /nfs/dbraw/zinc/04/81/08/1030048108.db2.gz QTYHBKMINRSVOF-GOSISDBHSA-N 2 0 312.542 3.856 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000866467432 1030311284 /nfs/dbraw/zinc/31/12/84/1030311284.db2.gz HTEAJLVKKTYSAW-OAHLLOKOSA-N 2 0 317.452 3.858 20 30 DHEDRP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925926541 1030548984 /nfs/dbraw/zinc/54/89/84/1030548984.db2.gz QOMNYJIPQKSZSA-MRXNPFEDSA-N 2 0 319.452 3.960 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1F ZINC000927036961 1031047188 /nfs/dbraw/zinc/04/71/88/1031047188.db2.gz HLPSMAUEGWFYED-ASFAAARLSA-N 2 0 315.436 3.755 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271881052 1031266375 /nfs/dbraw/zinc/26/63/75/1031266375.db2.gz PJKUUXHTSVZENB-OAHLLOKOSA-N 2 0 320.864 3.730 20 30 DHEDRP C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000537108892 1031508711 /nfs/dbraw/zinc/50/87/11/1031508711.db2.gz NQXFZPSUWAIKPT-INIZCTEOSA-N 2 0 319.468 3.584 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000360832063 1031579128 /nfs/dbraw/zinc/57/91/28/1031579128.db2.gz FVOIWBLXINEXIP-FQEVSTJZSA-N 2 0 311.473 3.791 20 30 DHEDRP CC(C)([NH3+])c1ccccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171185080 1031592307 /nfs/dbraw/zinc/59/23/07/1031592307.db2.gz FERXAEQNZXQCDR-UHFFFAOYSA-N 2 0 319.408 3.776 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186891 1031603495 /nfs/dbraw/zinc/60/34/95/1031603495.db2.gz ZUSIQJUXXFWBFP-IAGOWNOFSA-N 2 0 301.478 3.589 20 30 DHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171192880 1031635809 /nfs/dbraw/zinc/63/58/09/1031635809.db2.gz QLFMBKHHXQVRJH-MSOLQXFVSA-N 2 0 321.468 3.586 20 30 DHEDRP C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313779 1033316545 /nfs/dbraw/zinc/31/65/45/1033316545.db2.gz IXOPRSPJOMWSGP-MRXNPFEDSA-N 2 0 319.468 3.584 20 30 DHEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001173107701 1033545548 /nfs/dbraw/zinc/54/55/48/1033545548.db2.gz JNEICIBJPDDOGU-UHFFFAOYSA-N 2 0 324.472 3.593 20 30 DHEDRP CC1(C#N)CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590720 1033781044 /nfs/dbraw/zinc/78/10/44/1033781044.db2.gz ADYZAIDXRFAOLK-VHQLZKCGSA-N 2 0 303.494 3.973 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057196 1034112953 /nfs/dbraw/zinc/11/29/53/1034112953.db2.gz AQXRAFLNLZCMEL-UXHICEINSA-N 2 0 323.484 3.667 20 30 DHEDRP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057195 1034113854 /nfs/dbraw/zinc/11/38/54/1034113854.db2.gz AQXRAFLNLZCMEL-PMACEKPBSA-N 2 0 323.484 3.667 20 30 DHEDRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000595101362 1035929668 /nfs/dbraw/zinc/92/96/68/1035929668.db2.gz DREIPTAWSLQYEA-FQEVSTJZSA-N 2 0 311.473 3.721 20 30 DHEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000594493267 1039797552 /nfs/dbraw/zinc/79/75/52/1039797552.db2.gz JOHQGLRUHNDBFH-UHFFFAOYSA-N 2 0 313.489 3.887 20 30 DHEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594510363 1039813565 /nfs/dbraw/zinc/81/35/65/1039813565.db2.gz CZSSODBXJZROQP-UHFFFAOYSA-N 2 0 313.489 3.699 20 30 DHEDRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513295 1039815811 /nfs/dbraw/zinc/81/58/11/1039815811.db2.gz MUSBSOMRNRRTCC-SFHVURJKSA-N 2 0 315.505 3.944 20 30 DHEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584782 1039859302 /nfs/dbraw/zinc/85/93/02/1039859302.db2.gz JPWXOLGSOMTPFF-APWZRJJASA-N 2 0 311.473 3.838 20 30 DHEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584788 1039859387 /nfs/dbraw/zinc/85/93/87/1039859387.db2.gz JPWXOLGSOMTPFF-VQIMIIECSA-N 2 0 311.473 3.838 20 30 DHEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000595058653 1040022024 /nfs/dbraw/zinc/02/20/24/1040022024.db2.gz IHJJZKGGDYZQRK-IEBWSBKVSA-N 2 0 318.530 3.796 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623255 /nfs/dbraw/zinc/62/32/55/1040623255.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 2 0 311.473 3.546 20 30 DHEDRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128941 1040658732 /nfs/dbraw/zinc/65/87/32/1040658732.db2.gz KXKWKOBNDNHYMK-UHFFFAOYSA-N 2 0 311.473 3.550 20 30 DHEDRP CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022974 1040856149 /nfs/dbraw/zinc/85/61/49/1040856149.db2.gz VEIKDTRWRFEEMU-VQTJNVASSA-N 2 0 307.441 3.559 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000602515272 1041061785 /nfs/dbraw/zinc/06/17/85/1041061785.db2.gz PIYZUKLSEVTLKG-MSOLQXFVSA-N 2 0 313.489 3.948 20 30 DHEDRP N#CC1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000602513594 1041079776 /nfs/dbraw/zinc/07/97/76/1041079776.db2.gz PJQRAEVLCWIRAU-UHFFFAOYSA-N 2 0 311.473 3.844 20 30 DHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174313008 333084724 /nfs/dbraw/zinc/08/47/24/333084724.db2.gz GWQIHIFBPWEVDP-UHFFFAOYSA-N 2 0 301.478 3.946 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762146 333213702 /nfs/dbraw/zinc/21/37/02/333213702.db2.gz GUUQSFCUIYEOEJ-PMACEKPBSA-N 2 0 311.473 3.844 20 30 DHEDRP C=CCOc1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415064500 334262441 /nfs/dbraw/zinc/26/24/41/334262441.db2.gz KVBUXIGUJWLQKN-FQEVSTJZSA-N 2 0 310.441 3.821 20 30 DHEDRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000443985372 338465511 /nfs/dbraw/zinc/46/55/11/338465511.db2.gz UGSRDPHLMVKLNK-IRXDYDNUSA-N 2 0 313.489 3.714 20 30 DHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204298 335565496 /nfs/dbraw/zinc/56/54/96/335565496.db2.gz GIKCUEAJHDOSSD-SJLPKXTDSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@H](c1ccco1)N(C)CC#CCN(C)[C@@H](C)c1ccco1 ZINC000351614763 336050510 /nfs/dbraw/zinc/05/05/10/336050510.db2.gz IODDCWYMVVIJMO-IYBDPMFKSA-N 2 0 300.402 3.562 20 30 DHEDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000192944412 336285574 /nfs/dbraw/zinc/28/55/74/336285574.db2.gz VUAZGNOSOKXJHZ-AWEZNQCLSA-N 2 0 315.461 3.549 20 30 DHEDRP C=CCC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccco1 ZINC000353650911 336431765 /nfs/dbraw/zinc/43/17/65/336431765.db2.gz SGBUSQVQMFQPLV-HNNXBMFYSA-N 2 0 308.491 3.704 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421336939 337527180 /nfs/dbraw/zinc/52/71/80/337527180.db2.gz XPORJNZVWGBHNH-HZPDHXFCSA-N 2 0 317.452 3.545 20 30 DHEDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000249293969 341396077 /nfs/dbraw/zinc/39/60/77/341396077.db2.gz BONGQGORFJXYQB-IAGOWNOFSA-N 2 0 315.461 3.504 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442711059 1014718910 /nfs/dbraw/zinc/71/89/10/1014718910.db2.gz REDGSYCQPAVTLW-UXPWSPDFSA-N 2 0 311.473 3.843 20 30 DHEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777199 1014728765 /nfs/dbraw/zinc/72/87/65/1014728765.db2.gz IMPAUSHYMKZUTA-FXAWDEMLSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318361 1014793642 /nfs/dbraw/zinc/79/36/42/1014793642.db2.gz YNQHMYIGVHPGGK-UWJYYQICSA-N 2 0 319.452 3.558 20 30 DHEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CCCC)CC2)CC1 ZINC001173316869 1033709955 /nfs/dbraw/zinc/70/99/55/1033709955.db2.gz OEUHQYOYGGYNDQ-UHFFFAOYSA-N 2 0 308.510 3.602 20 30 DHEDRP C[NH+](C)C1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001168329467 1032300879 /nfs/dbraw/zinc/30/08/79/1032300879.db2.gz VGCFUHAWWKWIID-UHFFFAOYSA-N 2 0 311.473 3.610 20 30 DHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613252 1017574645 /nfs/dbraw/zinc/57/46/45/1017574645.db2.gz JQSHEYRFIGDODN-XLIONFOSSA-N 2 0 313.489 3.628 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730117 /nfs/dbraw/zinc/73/01/17/1032730117.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 2 0 323.484 3.667 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000764667872 1018344551 /nfs/dbraw/zinc/34/45/51/1018344551.db2.gz UWLQVCOZUMWUMO-INIZCTEOSA-N 2 0 322.880 3.954 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000174373024 1018424034 /nfs/dbraw/zinc/42/40/34/1018424034.db2.gz AJRLMAPJGIPAQV-SFHVURJKSA-N 2 0 305.510 3.951 20 30 DHEDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585557 1018429894 /nfs/dbraw/zinc/42/98/94/1018429894.db2.gz KLXFUFQYYPIZLL-ICSRJNTNSA-N 2 0 313.489 3.967 20 30 DHEDRP N#Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000921821442 1018907211 /nfs/dbraw/zinc/90/72/11/1018907211.db2.gz CJAHPXOZAHYHOJ-UHFFFAOYSA-N 2 0 303.475 3.506 20 30 DHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921606366 1019106615 /nfs/dbraw/zinc/10/66/15/1019106615.db2.gz INIUPZNPORCZIF-UHFFFAOYSA-N 2 0 313.470 3.750 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922505126 1020107519 /nfs/dbraw/zinc/10/75/19/1020107519.db2.gz RMRQMADZMPPTRB-UHFFFAOYSA-N 2 0 303.475 3.506 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068601 1020129118 /nfs/dbraw/zinc/12/91/18/1020129118.db2.gz XNBFNBRMJKMLNT-SFHVURJKSA-N 2 0 308.510 3.602 20 30 DHEDRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000581166823 1020873432 /nfs/dbraw/zinc/87/34/32/1020873432.db2.gz YVMGJVPTKPHHPN-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174642 1020962925 /nfs/dbraw/zinc/96/29/25/1020962925.db2.gz GQZZHKNYHGCWJL-JXFKEZNVSA-N 2 0 311.473 3.647 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176943345 1021183081 /nfs/dbraw/zinc/18/30/81/1021183081.db2.gz DVUPPGJWFXURPK-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124261 1033022125 /nfs/dbraw/zinc/02/21/25/1033022125.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 2 0 308.469 3.624 20 30 DHEDRP C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768168289 1022911497 /nfs/dbraw/zinc/91/14/97/1022911497.db2.gz HOMFDOJFSYCRCB-UHFFFAOYSA-N 2 0 324.468 3.945 20 30 DHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172296164 1033102230 /nfs/dbraw/zinc/10/22/30/1033102230.db2.gz XQWPYHYGGVNMHR-LAUBAEHRSA-N 2 0 321.468 3.772 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172345706 1033127845 /nfs/dbraw/zinc/12/78/45/1033127845.db2.gz BULUPNUMEGZLJI-GOSISDBHSA-N 2 0 311.558 3.741 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(C3CCC3)C2)CC1 ZINC001170371588 1024756318 /nfs/dbraw/zinc/75/63/18/1024756318.db2.gz GMGQEKYKWOTVGF-SCCNAQOGSA-N 2 0 323.484 3.607 20 30 DHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384779 1025046117 /nfs/dbraw/zinc/04/61/17/1025046117.db2.gz LAHKPRSVZUWUTK-OXJNMPFZSA-N 2 0 311.473 3.647 20 30 DHEDRP CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000897439147 1025316556 /nfs/dbraw/zinc/31/65/56/1025316556.db2.gz QAGFUPDGOZGVPD-UHFFFAOYSA-N 2 0 311.473 3.548 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000886602855 1025729809 /nfs/dbraw/zinc/72/98/09/1025729809.db2.gz AVHPLQHPARFTEA-CKHPTIKVSA-N 2 0 323.484 3.932 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624081 1026575807 /nfs/dbraw/zinc/57/58/07/1026575807.db2.gz GEWQIDCPKSKEDS-XMSQKQJNSA-N 2 0 318.464 3.668 20 30 DHEDRP C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739010 1026610700 /nfs/dbraw/zinc/61/07/00/1026610700.db2.gz TVELFPKREZFUAJ-UHFFFAOYSA-N 2 0 324.468 3.945 20 30 DHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000421356940 1026972429 /nfs/dbraw/zinc/97/24/29/1026972429.db2.gz YVBMVJFHPQWURB-KBXCAEBGSA-N 2 0 317.502 3.752 20 30 DHEDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423017674 1027390180 /nfs/dbraw/zinc/39/01/80/1027390180.db2.gz PHFYBOYNDKAJAX-INIZCTEOSA-N 2 0 307.441 3.832 20 30 DHEDRP C=C(Cl)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370969 1027622706 /nfs/dbraw/zinc/62/27/06/1027622706.db2.gz MKULWERXCROMAL-UHFFFAOYSA-N 2 0 304.865 3.727 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000365598212 1027980108 /nfs/dbraw/zinc/98/01/08/1027980108.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 2 0 303.494 3.655 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138775 1028001573 /nfs/dbraw/zinc/00/15/73/1028001573.db2.gz YDPAGBOAGVCSRX-MJGOQNOKSA-N 2 0 313.489 3.674 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000373862111 1029156109 /nfs/dbraw/zinc/15/61/09/1029156109.db2.gz FNDNEIMGDWZLAC-HNJRGHQBSA-N 2 0 320.521 3.600 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000817963530 1029300642 /nfs/dbraw/zinc/30/06/42/1029300642.db2.gz TXFDKZOZBPSLOG-JKSUJKDBSA-N 2 0 308.425 3.569 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000817982227 1029319155 /nfs/dbraw/zinc/31/91/55/1029319155.db2.gz PQIIOWVFNDNLQB-DZKIICNBSA-N 2 0 308.853 3.596 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](CC2(C#N)CCC2)CC1)CC(C)C ZINC000450644773 1029587215 /nfs/dbraw/zinc/58/72/15/1029587215.db2.gz DSSLEKVZQNMNMV-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924707579 1030165645 /nfs/dbraw/zinc/16/56/45/1030165645.db2.gz MPTYYWPSNMMZPF-INIZCTEOSA-N 2 0 301.478 3.946 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000866467654 1030309862 /nfs/dbraw/zinc/30/98/62/1030309862.db2.gz MVNYOHWCYNRMOR-HNNXBMFYSA-N 2 0 317.452 3.858 20 30 DHEDRP N#C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866470610 1030311139 /nfs/dbraw/zinc/31/11/39/1030311139.db2.gz VQDJHLAPLXJQKG-VQTJNVASSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925474008 1030372713 /nfs/dbraw/zinc/37/27/13/1030372713.db2.gz IAXCEUIEPOXBNM-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000925883105 1030533889 /nfs/dbraw/zinc/53/38/89/1030533889.db2.gz VSEUWPXVYCWLKI-NJYVYQBISA-N 2 0 319.452 3.658 20 30 DHEDRP C#Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226568 1030753398 /nfs/dbraw/zinc/75/33/98/1030753398.db2.gz KFNVKTUXVWVDAR-AVRDEDQJSA-N 2 0 318.464 3.668 20 30 DHEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926680660 1030857330 /nfs/dbraw/zinc/85/73/30/1030857330.db2.gz QWQKBUVFOSRKQH-INIZCTEOSA-N 2 0 307.441 3.513 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000559111260 1031129218 /nfs/dbraw/zinc/12/92/18/1031129218.db2.gz QFXUTEUNDDQPAC-NEWSRXKRSA-N 2 0 303.494 3.655 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566564 /nfs/dbraw/zinc/56/65/64/1031566564.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 2 0 317.521 3.903 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929690818 1031580013 /nfs/dbraw/zinc/58/00/13/1031580013.db2.gz WHUBZWSQQXNKTJ-LJQANCHMSA-N 2 0 311.473 3.625 20 30 DHEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602340 /nfs/dbraw/zinc/60/23/40/1031602340.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 2 0 303.494 3.514 20 30 DHEDRP CCC(CC)[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194780 1031645568 /nfs/dbraw/zinc/64/55/68/1031645568.db2.gz MCPYFWJBXKHEDE-INIZCTEOSA-N 2 0 313.489 3.732 20 30 DHEDRP CC(C)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201656 1031761001 /nfs/dbraw/zinc/76/10/01/1031761001.db2.gz PPJLDUARIKZIPW-VDGAXYAQSA-N 2 0 313.489 3.717 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001173104441 1033543321 /nfs/dbraw/zinc/54/33/21/1033543321.db2.gz PEMZLQCHCKQREZ-UHFFFAOYSA-N 2 0 311.473 3.790 20 30 DHEDRP CCCCCCCC[C@@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173309635 1033662204 /nfs/dbraw/zinc/66/22/04/1033662204.db2.gz YLXWSNROZJZUSI-LJQANCHMSA-N 2 0 323.569 3.837 20 30 DHEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001173316780 1033710349 /nfs/dbraw/zinc/71/03/49/1033710349.db2.gz MUZROFIISZQGLW-UHFFFAOYSA-N 2 0 322.537 3.848 20 30 DHEDRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000179755202 1034334599 /nfs/dbraw/zinc/33/45/99/1034334599.db2.gz DGWFTIUGVJFFQT-INIZCTEOSA-N 2 0 320.440 3.520 20 30 DHEDRP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871642 /nfs/dbraw/zinc/87/16/42/1035871642.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 2 0 302.462 3.556 20 30 DHEDRP C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000539818363 1035872943 /nfs/dbraw/zinc/87/29/43/1035872943.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 0 302.462 3.556 20 30 DHEDRP C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880258 /nfs/dbraw/zinc/88/02/58/1035880258.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 2 0 302.462 3.556 20 30 DHEDRP CCC[NH+](CCC)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000540706951 1036131986 /nfs/dbraw/zinc/13/19/86/1036131986.db2.gz KRYLSSPRVUVSPG-OAHLLOKOSA-N 2 0 305.441 3.860 20 30 DHEDRP C#C[C@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558819 1036288095 /nfs/dbraw/zinc/28/80/95/1036288095.db2.gz QUPLHRFNOWDSNL-FQEVSTJZSA-N 2 0 324.512 3.676 20 30 DHEDRP C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925418224 1036324325 /nfs/dbraw/zinc/32/43/25/1036324325.db2.gz RYMWYBFINAFCNT-KRWDZBQOSA-N 2 0 322.452 3.611 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219331 1036335518 /nfs/dbraw/zinc/33/55/18/1036335518.db2.gz RPYKOEZJIVIXCF-UWJYYQICSA-N 2 0 319.452 3.558 20 30 DHEDRP C[N@@H+](CC#Cc1ccccc1Cl)CCCC[NH+]1CCCCC1 ZINC001197284769 1036735980 /nfs/dbraw/zinc/73/59/80/1036735980.db2.gz LLXHGXSOSYXYLY-UHFFFAOYSA-N 2 0 318.892 3.889 20 30 DHEDRP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062426608 1039773936 /nfs/dbraw/zinc/77/39/36/1039773936.db2.gz ZDILQHGZYNVWRB-OAQYLSRUSA-N 2 0 319.452 3.560 20 30 DHEDRP C[C@H](CCC#N)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000602481952 1041054791 /nfs/dbraw/zinc/05/47/91/1041054791.db2.gz DQUMUEFHDQSRQD-MSOLQXFVSA-N 2 0 305.510 3.903 20 30 DHEDRP N#CC1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000602510245 1041078182 /nfs/dbraw/zinc/07/81/82/1041078182.db2.gz GBJPBUVVGYDDJH-UHFFFAOYSA-N 2 0 311.473 3.844 20 30 DHEDRP N#CCC1(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643412 1041129585 /nfs/dbraw/zinc/12/95/85/1041129585.db2.gz QOAGSVLPYOQBHB-PKOBYXMFSA-N 2 0 309.457 3.638 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533448776 331533491 /nfs/dbraw/zinc/53/34/91/331533491.db2.gz HUEGBMGRVOLEQW-HZPDHXFCSA-N 2 0 317.452 3.545 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449166500 331919374 /nfs/dbraw/zinc/91/93/74/331919374.db2.gz DGMSMYNLJPWWBI-IBGZPJMESA-N 2 0 321.553 3.661 20 30 DHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414528984 334008042 /nfs/dbraw/zinc/00/80/42/334008042.db2.gz BTJWLINFXJJXAB-FQEVSTJZSA-N 2 0 321.468 3.827 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414966583 334214362 /nfs/dbraw/zinc/21/43/62/334214362.db2.gz GUQZSNBFNLMFGJ-HNNXBMFYSA-N 2 0 308.853 3.527 20 30 DHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295136086 334219620 /nfs/dbraw/zinc/21/96/20/334219620.db2.gz YTOQZURJGBDPRE-HKUYNNGSSA-N 2 0 313.489 3.817 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000296373617 334233116 /nfs/dbraw/zinc/23/31/16/334233116.db2.gz JHSJNEURTCZAPX-RKFFNLMFSA-N 2 0 323.484 3.854 20 30 DHEDRP C[C@H](CCC#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000298706678 334250880 /nfs/dbraw/zinc/25/08/80/334250880.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 2 0 311.473 3.665 20 30 DHEDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000192944424 336285670 /nfs/dbraw/zinc/28/56/70/336285670.db2.gz VUAZGNOSOKXJHZ-CQSZACIVSA-N 2 0 315.461 3.549 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH2+]CC)CC2)cc1Cl ZINC000470003304 339308042 /nfs/dbraw/zinc/30/80/42/339308042.db2.gz PVCFNADBOCHFLX-UHFFFAOYSA-N 2 0 322.880 3.726 20 30 DHEDRP C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654737 340371256 /nfs/dbraw/zinc/37/12/56/340371256.db2.gz OHXYNHPLUYHVHM-XHSDSOJGSA-N 2 0 317.452 3.716 20 30 DHEDRP C[C@@H](CCNCc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000080206558 341270775 /nfs/dbraw/zinc/27/07/75/341270775.db2.gz BIAOYXIVUHCRAV-KRWDZBQOSA-N 2 0 307.441 3.558 20 30 DHEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000248403837 341376602 /nfs/dbraw/zinc/37/66/02/341376602.db2.gz PFYIDFYOESMIAI-BXWFABGCSA-N 2 0 311.473 3.862 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442710947 1014720550 /nfs/dbraw/zinc/72/05/50/1014720550.db2.gz REDGSYCQPAVTLW-AHRSYUTCSA-N 2 0 311.473 3.843 20 30 DHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780722 1014730314 /nfs/dbraw/zinc/73/03/14/1014730314.db2.gz NITKIJIZNIZIEY-QFBILLFUSA-N 2 0 323.440 3.693 20 30 DHEDRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000442833937 1014747711 /nfs/dbraw/zinc/74/77/11/1014747711.db2.gz VTOTZBGGHWJNHD-BTHPGYMESA-N 2 0 311.473 3.569 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000106245465 1015181224 /nfs/dbraw/zinc/18/12/24/1015181224.db2.gz DPFFDQPSXAYOFU-UHFFFAOYSA-N 2 0 302.462 3.604 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000895826522 1015313598 /nfs/dbraw/zinc/31/35/98/1015313598.db2.gz XSNCPVUHLHFJKP-KRWDZBQOSA-N 2 0 313.489 3.568 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000341703950 1015685563 /nfs/dbraw/zinc/68/55/63/1015685563.db2.gz CYMSQYAEIBULIE-NRFANRHFSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccsc1)c1ccsc1 ZINC000671243946 1016736358 /nfs/dbraw/zinc/73/63/58/1016736358.db2.gz PKVRAXGURLONJC-ZIAGYGMSSA-N 2 0 304.484 3.814 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730686 /nfs/dbraw/zinc/73/06/86/1032730686.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 2 0 323.484 3.667 20 30 DHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070488 1018029340 /nfs/dbraw/zinc/02/93/40/1018029340.db2.gz PHORFDWNZOSQPV-UYAOXDASSA-N 2 0 320.521 3.602 20 30 DHEDRP CC(C)(CCC#N)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611254600 1019421891 /nfs/dbraw/zinc/42/18/91/1019421891.db2.gz AXAZHPRPDBRQTO-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000611392188 1019466049 /nfs/dbraw/zinc/46/60/49/1019466049.db2.gz JGQUOKZQGQTXTN-HXUWFJFHSA-N 2 0 309.457 3.542 20 30 DHEDRP CC1(C)CC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000611390325 1019473603 /nfs/dbraw/zinc/47/36/03/1019473603.db2.gz SGRDHRGUCYOTFE-GOSISDBHSA-N 2 0 311.473 3.834 20 30 DHEDRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000283010980 1020378875 /nfs/dbraw/zinc/37/88/75/1020378875.db2.gz OTKUTMHSHYMHMH-LJQANCHMSA-N 2 0 323.440 3.542 20 30 DHEDRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728030 1022448409 /nfs/dbraw/zinc/44/84/09/1022448409.db2.gz FRZYTGHPCCJKPM-DYVFJYSZSA-N 2 0 314.408 3.659 20 30 DHEDRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308693 1033079983 /nfs/dbraw/zinc/07/99/83/1033079983.db2.gz ZBRICZHKZYXIKO-QGZVFWFLSA-N 2 0 313.489 3.541 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000695866005 1023037794 /nfs/dbraw/zinc/03/77/94/1023037794.db2.gz WZVMXZRRXOGLQB-IEBWSBKVSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172299211 1033104691 /nfs/dbraw/zinc/10/46/91/1033104691.db2.gz KFJBDZUVTXVFLV-ZWKOTPCHSA-N 2 0 321.468 3.586 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486493 1033198083 /nfs/dbraw/zinc/19/80/83/1033198083.db2.gz FMYYDZNQJYRIND-KBAYOESNSA-N 2 0 317.452 3.980 20 30 DHEDRP C[C@H](CC(C)(C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000453423012 1024517831 /nfs/dbraw/zinc/51/78/31/1024517831.db2.gz MCSABXSWJJZRCQ-MRXNPFEDSA-N 2 0 313.489 3.937 20 30 DHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(C)c1 ZINC000349005836 1024660437 /nfs/dbraw/zinc/66/04/37/1024660437.db2.gz LOIZYDCOMXZWJH-UHFFFAOYSA-N 2 0 321.468 3.950 20 30 DHEDRP CCCCCCC[C@@H](CCC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172507887 1033237153 /nfs/dbraw/zinc/23/71/53/1033237153.db2.gz CMIXGGBZIGJROE-LJQANCHMSA-N 2 0 311.558 3.695 20 30 DHEDRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353389106 1025053169 /nfs/dbraw/zinc/05/31/69/1025053169.db2.gz RJJDNBBROTUWMO-HXUWFJFHSA-N 2 0 311.473 3.647 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793530309 1025108626 /nfs/dbraw/zinc/10/86/26/1025108626.db2.gz WTCIUWIXOUOCTR-SFHVURJKSA-N 2 0 321.553 3.660 20 30 DHEDRP C#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000809612243 1026563822 /nfs/dbraw/zinc/56/38/22/1026563822.db2.gz YFPWERTVAYRVFX-UHFFFAOYSA-N 2 0 310.485 3.802 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635245 1026578983 /nfs/dbraw/zinc/57/89/83/1026578983.db2.gz VCXDQTNZSSIPCI-AVRDEDQJSA-N 2 0 318.464 3.668 20 30 DHEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000104155630 1026596165 /nfs/dbraw/zinc/59/61/65/1026596165.db2.gz RWCBYGQEASKZKG-IBGZPJMESA-N 2 0 322.456 3.559 20 30 DHEDRP C[NH+]1CCC2(CC1)CC[NH+](CCCCC1(C#N)CCC1)CC2 ZINC000931468512 1027132572 /nfs/dbraw/zinc/13/25/72/1027132572.db2.gz XXOAYTNRWNZJSR-UHFFFAOYSA-N 2 0 303.494 3.658 20 30 DHEDRP CCC1([NH+]2CCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931753353 1027247706 /nfs/dbraw/zinc/24/77/06/1027247706.db2.gz XCJPOCKIUIORPA-UHFFFAOYSA-N 2 0 303.494 3.801 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000365598210 1027976817 /nfs/dbraw/zinc/97/68/17/1027976817.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 2 0 303.494 3.655 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578013899 1028019039 /nfs/dbraw/zinc/01/90/39/1028019039.db2.gz HTJFOZFXIXKVCW-FQEVSTJZSA-N 2 0 305.425 3.574 20 30 DHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035189 1028124247 /nfs/dbraw/zinc/12/42/47/1028124247.db2.gz IHKOTBJQZFPZQY-CKVGWXAMSA-N 2 0 317.521 3.949 20 30 DHEDRP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712865 1028222415 /nfs/dbraw/zinc/22/24/15/1028222415.db2.gz NAUZLOOKYQWGOM-QZTJIDSGSA-N 2 0 301.478 3.965 20 30 DHEDRP C[N@H+](CCCC(C)(C)C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367898803 1028257016 /nfs/dbraw/zinc/25/70/16/1028257016.db2.gz AZUWMAPDUHPZPU-UHFFFAOYSA-N 2 0 314.477 3.560 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000368649699 1028388675 /nfs/dbraw/zinc/38/86/75/1028388675.db2.gz HYOFVDQLPHHATE-AFYVEPGGSA-N 2 0 311.473 3.569 20 30 DHEDRP CC1(C#N)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411502447 1029141406 /nfs/dbraw/zinc/14/14/06/1029141406.db2.gz WKVGMZLVPKCHDU-UHFFFAOYSA-N 2 0 311.473 3.798 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817948047 1029290326 /nfs/dbraw/zinc/29/03/26/1029290326.db2.gz SUHDYOOLVSQAQL-ZMSDIMECSA-N 2 0 322.880 3.857 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950598 1029293180 /nfs/dbraw/zinc/29/31/80/1029293180.db2.gz YMSYHOPNJVEJKN-NRFANRHFSA-N 2 0 319.452 3.617 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000817963529 1029300947 /nfs/dbraw/zinc/30/09/47/1029300947.db2.gz TXFDKZOZBPSLOG-HZPDHXFCSA-N 2 0 308.425 3.569 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970096 1029309599 /nfs/dbraw/zinc/30/95/99/1029309599.db2.gz LFJLGCYYZOBKTN-NUEKZKHPSA-N 2 0 308.853 3.738 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000866517460 1030342663 /nfs/dbraw/zinc/34/26/63/1030342663.db2.gz ZTACCVLIDDYNRW-IMUUDWKMSA-N 2 0 303.425 3.611 20 30 DHEDRP C=CCC[C@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000926958566 1031016419 /nfs/dbraw/zinc/01/64/19/1031016419.db2.gz ORUGBLGOOKBXQE-SFHVURJKSA-N 2 0 316.489 3.612 20 30 DHEDRP C=CCN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360841129 1031584958 /nfs/dbraw/zinc/58/49/58/1031584958.db2.gz QXSSUZAGAUBFQD-FQEVSTJZSA-N 2 0 309.457 3.566 20 30 DHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001171193829 1031654603 /nfs/dbraw/zinc/65/46/03/1031654603.db2.gz CVVLKFWNTACARM-INIZCTEOSA-N 2 0 313.489 3.589 20 30 DHEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173591903 1033780642 /nfs/dbraw/zinc/78/06/42/1033780642.db2.gz XADCPKCWUCSFLN-UHFFFAOYSA-N 2 0 303.494 3.561 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271960769 1036757984 /nfs/dbraw/zinc/75/79/84/1036757984.db2.gz UJBPJVXMUDONNV-GJZGRUSLSA-N 2 0 305.441 3.858 20 30 DHEDRP CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ccc(C(F)(F)F)cc1 ZINC000776188231 1037684759 /nfs/dbraw/zinc/68/47/59/1037684759.db2.gz XYRJIKXVEARKGM-UHFFFAOYSA-N 2 0 308.307 3.612 20 30 DHEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573307 1038391607 /nfs/dbraw/zinc/39/16/07/1038391607.db2.gz IIOIBBDXODAKGB-XJKSGUPXSA-N 2 0 305.853 3.612 20 30 DHEDRP CC(C)(C#N)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000594522178 1039828208 /nfs/dbraw/zinc/82/82/08/1039828208.db2.gz YTJSKTDQJYVXHC-UHFFFAOYSA-N 2 0 313.489 3.843 20 30 DHEDRP C=CCCSCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595060184 1040024900 /nfs/dbraw/zinc/02/49/00/1040024900.db2.gz UDGVHCCCJRAYSB-MJGOQNOKSA-N 2 0 318.530 3.796 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624918 /nfs/dbraw/zinc/62/49/18/1040624918.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 2 0 311.473 3.546 20 30 DHEDRP N#CC1(c2ccc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013027 1040625454 /nfs/dbraw/zinc/62/54/54/1040625454.db2.gz ACYRKSBXRNNRFB-IBGZPJMESA-N 2 0 323.484 3.550 20 30 DHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000658356337 1040627875 /nfs/dbraw/zinc/62/78/75/1040627875.db2.gz NLBVJHDWKPUGMH-GOSISDBHSA-N 2 0 302.462 3.999 20 30 DHEDRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022975 1040857275 /nfs/dbraw/zinc/85/72/75/1040857275.db2.gz VEIKDTRWRFEEMU-WOJBJXKFSA-N 2 0 307.441 3.559 20 30 DHEDRP N#CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000602548444 1041085498 /nfs/dbraw/zinc/08/54/98/1041085498.db2.gz XDOKNLIBSXBSGF-BKDYDCAMSA-N 2 0 323.484 3.854 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]C3CCC(C#N)CC3)CC2)CC1 ZINC000602582498 1041113819 /nfs/dbraw/zinc/11/38/19/1041113819.db2.gz MNIHKRWQTOSUEF-UHFFFAOYSA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665891 1041150248 /nfs/dbraw/zinc/15/02/48/1041150248.db2.gz DLLBEEAFDRREDA-ICSRJNTNSA-N 2 0 313.489 3.818 20 30 DHEDRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249552 /nfs/dbraw/zinc/24/95/52/1041249552.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 2 0 317.502 3.504 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000286215200 335030391 /nfs/dbraw/zinc/03/03/91/335030391.db2.gz SEYKLKKXODLGPQ-QGZVFWFLSA-N 2 0 306.425 3.613 20 30 DHEDRP N#Cc1csc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016854 333243085 /nfs/dbraw/zinc/24/30/85/333243085.db2.gz MADKPQDAYTXNQF-MRXNPFEDSA-N 2 0 317.502 3.708 20 30 DHEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342808768 334578885 /nfs/dbraw/zinc/57/88/85/334578885.db2.gz QGUIEAULTPBQNX-SJORKVTESA-N 2 0 316.489 3.850 20 30 DHEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc3c[nH+]cn3c2)cc1 ZINC000263172621 337625035 /nfs/dbraw/zinc/62/50/35/337625035.db2.gz SGONVASLEMJVOD-CQSZACIVSA-N 2 0 321.428 3.775 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512659487 340371560 /nfs/dbraw/zinc/37/15/60/340371560.db2.gz HJPPCVDVOARMDD-GJZGRUSLSA-N 2 0 305.441 3.858 20 30 DHEDRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000181917706 525324344 /nfs/dbraw/zinc/32/43/44/525324344.db2.gz NHDJFFSBVFIIDP-INIZCTEOSA-N 2 0 320.440 3.520 20 30 DHEDRP C=CCCCCCCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001209442418 1013290786 /nfs/dbraw/zinc/29/07/86/1013290786.db2.gz IDJMEEGRULJGDH-UHFFFAOYSA-N 2 0 323.569 3.863 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159120863 1016874013 /nfs/dbraw/zinc/87/40/13/1016874013.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 2 0 311.473 3.667 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000061003147 1032568321 /nfs/dbraw/zinc/56/83/21/1032568321.db2.gz ANQRJJXDRZDGIT-UHFFFAOYSA-N 2 0 302.462 3.650 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731322 /nfs/dbraw/zinc/73/13/22/1032731322.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 2 0 323.484 3.667 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708537141 1018842777 /nfs/dbraw/zinc/84/27/77/1018842777.db2.gz IQOCCTRRLIQDCZ-YQVWRLOYSA-N 2 0 313.489 3.672 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390341 1019473443 /nfs/dbraw/zinc/47/34/43/1019473443.db2.gz UCOCKBLTLKZDTG-OXQOHEQNSA-N 2 0 311.473 3.790 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360837035 1020592326 /nfs/dbraw/zinc/59/23/26/1020592326.db2.gz OICUXKOSRLMZKX-OAQYLSRUSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172296166 1033101151 /nfs/dbraw/zinc/10/11/51/1033101151.db2.gz XQWPYHYGGVNMHR-UWJYYQICSA-N 2 0 321.468 3.772 20 30 DHEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000883194760 1024283015 /nfs/dbraw/zinc/28/30/15/1024283015.db2.gz CFEKRAWNBUDPHS-UXHICEINSA-N 2 0 320.521 3.887 20 30 DHEDRP CCCCCCCC[C@H](CC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172501197 1033232046 /nfs/dbraw/zinc/23/20/46/1033232046.db2.gz AOFNJWCTWDYDPT-IBGZPJMESA-N 2 0 312.542 3.810 20 30 DHEDRP CN1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428643 1025324977 /nfs/dbraw/zinc/32/49/77/1025324977.db2.gz GSDBKFWJSCUBIB-SFTDATJTSA-N 2 0 319.452 3.526 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000886628597 1025749907 /nfs/dbraw/zinc/74/99/07/1025749907.db2.gz WXAIHSUBVAUDGL-UHFFFAOYSA-N 2 0 303.475 3.506 20 30 DHEDRP C[C@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306084 1025935405 /nfs/dbraw/zinc/93/54/05/1025935405.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 2 0 311.473 3.667 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183193686 1026705876 /nfs/dbraw/zinc/70/58/76/1026705876.db2.gz PFYIDFYOESMIAI-FRQCXROJSA-N 2 0 311.473 3.862 20 30 DHEDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522641 1027579435 /nfs/dbraw/zinc/57/94/35/1027579435.db2.gz VCKZHXSAGZVHJU-AUUYWEPGSA-N 2 0 311.404 3.828 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000562738280 1027586818 /nfs/dbraw/zinc/58/68/18/1027586818.db2.gz FMZCJXZGKKZINR-HXUWFJFHSA-N 2 0 316.408 3.763 20 30 DHEDRP C=CCSCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449133637 1028386891 /nfs/dbraw/zinc/38/68/91/1028386891.db2.gz ZDJVUHODBACEAO-KRWDZBQOSA-N 2 0 318.530 3.591 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369001395 1028434431 /nfs/dbraw/zinc/43/44/31/1028434431.db2.gz LPCLBRPMSIKEHQ-GOSISDBHSA-N 2 0 305.510 3.904 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449180286 1028436338 /nfs/dbraw/zinc/43/63/38/1028436338.db2.gz ZLQVFXKFLGVYLJ-TXQGORRRSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449236519 1028456394 /nfs/dbraw/zinc/45/63/94/1028456394.db2.gz YEVYGAPWQCXIPY-INECWFNRSA-N 2 0 303.494 3.701 20 30 DHEDRP C[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671810 1028514833 /nfs/dbraw/zinc/51/48/33/1028514833.db2.gz JQYQOJSWEAQCKV-GOEBONIOSA-N 2 0 305.491 3.660 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000373862110 1029157170 /nfs/dbraw/zinc/15/71/70/1029157170.db2.gz FNDNEIMGDWZLAC-CUDHKJQZSA-N 2 0 320.521 3.600 20 30 DHEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCCC(C)(C)C#N)CC2)C1CC1 ZINC000374309440 1029286694 /nfs/dbraw/zinc/28/66/94/1029286694.db2.gz JFJZNLHGLOALLR-MRXNPFEDSA-N 2 0 303.494 3.513 20 30 DHEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000865764468 1030011370 /nfs/dbraw/zinc/01/13/70/1030011370.db2.gz ASRNYRLCFKLFCA-UHFFFAOYSA-N 2 0 313.489 3.840 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000924584946 1030128826 /nfs/dbraw/zinc/12/88/26/1030128826.db2.gz JIHCPOMZVGWXRO-INIZCTEOSA-N 2 0 301.478 3.946 20 30 DHEDRP C=C1CCC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925836356 1030514161 /nfs/dbraw/zinc/51/41/61/1030514161.db2.gz ZWSGXGXIJFBOAI-UYAOXDASSA-N 2 0 312.457 3.578 20 30 DHEDRP C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226571 1030753563 /nfs/dbraw/zinc/75/35/63/1030753563.db2.gz KFNVKTUXVWVDAR-XMSQKQJNSA-N 2 0 318.464 3.668 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000844925960 1031404504 /nfs/dbraw/zinc/40/45/04/1031404504.db2.gz SHZPFWRAPBNDDI-HNNXBMFYSA-N 2 0 322.880 3.858 20 30 DHEDRP C=CCCC[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995496 1031482713 /nfs/dbraw/zinc/48/27/13/1031482713.db2.gz NUSJBBYEABJPOV-OKZBNKHCSA-N 2 0 308.510 3.552 20 30 DHEDRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563226 /nfs/dbraw/zinc/56/32/26/1031563226.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 2 0 311.473 3.551 20 30 DHEDRP [NH2+]=C(Nc1cccc2c1CC[C@H]2[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171181790 1031577899 /nfs/dbraw/zinc/57/78/99/1031577899.db2.gz CAGAQPHISGBLQF-GOSISDBHSA-N 2 0 317.392 3.528 20 30 DHEDRP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000772929585 1031651003 /nfs/dbraw/zinc/65/10/03/1031651003.db2.gz KTSTVFXFTXRJTA-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP CCCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232406 1032019386 /nfs/dbraw/zinc/01/93/86/1032019386.db2.gz RIZGTLLEDVZYGD-KRWDZBQOSA-N 2 0 313.489 3.686 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001173104246 1033542648 /nfs/dbraw/zinc/54/26/48/1033542648.db2.gz LQUHNPQZYCDNFC-UHFFFAOYSA-N 2 0 303.494 3.846 20 30 DHEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)c1 ZINC000104178400 1033652471 /nfs/dbraw/zinc/65/24/71/1033652471.db2.gz AABYDQWJQSVVJM-UHFFFAOYSA-N 2 0 324.472 3.682 20 30 DHEDRP C=CCOC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001173326947 1033688713 /nfs/dbraw/zinc/68/87/13/1033688713.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 2 0 320.521 3.839 20 30 DHEDRP N#CCC1CCC([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001173332368 1033691279 /nfs/dbraw/zinc/69/12/79/1033691279.db2.gz LYEGGYVNAAWPAM-XBMUEBEBSA-N 2 0 315.505 3.869 20 30 DHEDRP N#CCC1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173335764 1033691664 /nfs/dbraw/zinc/69/16/64/1033691664.db2.gz XPHVDUFFOMOWHG-JLAWEPINSA-N 2 0 303.494 3.799 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194743 1034359813 /nfs/dbraw/zinc/35/98/13/1034359813.db2.gz MJHMJZXQVUUCMM-FRQCXROJSA-N 2 0 311.473 3.862 20 30 DHEDRP C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001177785330 1035392997 /nfs/dbraw/zinc/39/29/97/1035392997.db2.gz VPNUXLCWUIGKCY-OALUTQOASA-N 2 0 316.489 3.504 20 30 DHEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314749 1036036052 /nfs/dbraw/zinc/03/60/52/1036036052.db2.gz WSFMMBJNWKWTJN-HRAATJIYSA-N 2 0 319.452 3.655 20 30 DHEDRP CCCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201875260 1037923827 /nfs/dbraw/zinc/92/38/27/1037923827.db2.gz SPLOFCVHCUOWDS-UXHICEINSA-N 2 0 323.569 3.837 20 30 DHEDRP N#Cc1cccc(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168393116 1038530631 /nfs/dbraw/zinc/53/06/31/1038530631.db2.gz WBWGLOKTUOUUIU-UHFFFAOYSA-N 2 0 323.484 3.612 20 30 DHEDRP CC[N@H+](CCCNCc1cc(C#N)cs1)C1CCCCC1 ZINC000593660667 1038980263 /nfs/dbraw/zinc/98/02/63/1038980263.db2.gz NPCWQYGJSVORAR-UHFFFAOYSA-N 2 0 305.491 3.754 20 30 DHEDRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404022 1039448948 /nfs/dbraw/zinc/44/89/48/1039448948.db2.gz UTMZGFAFOLPTNI-HBGVWJBISA-N 2 0 319.452 3.554 20 30 DHEDRP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCCC1 ZINC000594495183 1039797420 /nfs/dbraw/zinc/79/74/20/1039797420.db2.gz NFSWIWSIXSAXCH-QGZVFWFLSA-N 2 0 313.489 3.699 20 30 DHEDRP CC1CC[NH+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493200 1039798544 /nfs/dbraw/zinc/79/85/44/1039798544.db2.gz GTDWPNVVTDDKRF-UHFFFAOYSA-N 2 0 313.489 3.699 20 30 DHEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594605527 1039869938 /nfs/dbraw/zinc/86/99/38/1039869938.db2.gz CAWOIXFFAVTZPN-UHFFFAOYSA-N 2 0 311.473 3.548 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918355 1039926867 /nfs/dbraw/zinc/92/68/67/1039926867.db2.gz NZRCQUFOQMKMGS-QGZVFWFLSA-N 2 0 311.473 3.596 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595292890 1040092115 /nfs/dbraw/zinc/09/21/15/1040092115.db2.gz DIDUEXTXJBOHMG-UHFFFAOYSA-N 2 0 313.489 3.545 20 30 DHEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625222 /nfs/dbraw/zinc/62/52/22/1040625222.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 0 311.473 3.548 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000602515549 1041065242 /nfs/dbraw/zinc/06/52/42/1041065242.db2.gz PIYZUKLSEVTLKG-ZWKOTPCHSA-N 2 0 313.489 3.948 20 30 DHEDRP N#CC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602522883 1041069283 /nfs/dbraw/zinc/06/92/83/1041069283.db2.gz ZKXWJLYEDWIRHI-UHFFFAOYSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284386774 335014706 /nfs/dbraw/zinc/01/47/06/335014706.db2.gz OVAGOSZKFOHOIP-MRXNPFEDSA-N 2 0 302.462 3.604 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152983673 332332396 /nfs/dbraw/zinc/33/23/96/332332396.db2.gz FSGSOQPRGNOOEM-OAHLLOKOSA-N 2 0 317.433 3.594 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032358 333223102 /nfs/dbraw/zinc/22/31/02/333223102.db2.gz YTFGYVJGPFCECP-HKUYNNGSSA-N 2 0 303.494 3.703 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000192783799 333292751 /nfs/dbraw/zinc/29/27/51/333292751.db2.gz HBLBNXLSQSWQAS-IAGOWNOFSA-N 2 0 317.502 3.632 20 30 DHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000293784232 334202431 /nfs/dbraw/zinc/20/24/31/334202431.db2.gz TWTCFLZURWZUFG-QGZVFWFLSA-N 2 0 315.461 3.506 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414989888 334229913 /nfs/dbraw/zinc/22/99/13/334229913.db2.gz HTESYXVICBUZMB-UKRRQHHQSA-N 2 0 308.853 3.512 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414989886 334229974 /nfs/dbraw/zinc/22/99/74/334229974.db2.gz HTESYXVICBUZMB-DZGCQCFKSA-N 2 0 308.853 3.512 20 30 DHEDRP C[C@H](CCC#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298398205 334248166 /nfs/dbraw/zinc/24/81/66/334248166.db2.gz OOOVWLVKCLDFCX-GOSISDBHSA-N 2 0 311.473 3.667 20 30 DHEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358566995 336634918 /nfs/dbraw/zinc/63/49/18/336634918.db2.gz IQAVHEXAVFHGCF-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929350 337080665 /nfs/dbraw/zinc/08/06/65/337080665.db2.gz SLTVNXDZJQTZPZ-OAHLLOKOSA-N 2 0 315.461 3.502 20 30 DHEDRP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000174863942 337145070 /nfs/dbraw/zinc/14/50/70/337145070.db2.gz CJFSJHOSSJYFTB-SFHVURJKSA-N 2 0 305.510 3.904 20 30 DHEDRP N#Cc1csc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000093769359 337921238 /nfs/dbraw/zinc/92/12/38/337921238.db2.gz IGWRUPDMOLCEFD-UHFFFAOYSA-N 2 0 317.502 3.708 20 30 DHEDRP C=CCCOCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449202837 338602198 /nfs/dbraw/zinc/60/21/98/338602198.db2.gz GUXYZFZVRRNBLV-UHFFFAOYSA-N 2 0 310.526 3.848 20 30 DHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445955 338624633 /nfs/dbraw/zinc/62/46/33/338624633.db2.gz MVPJJHXFLUOEDH-NEPXVJNWSA-N 2 0 303.494 3.701 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283659 339113292 /nfs/dbraw/zinc/11/32/92/339113292.db2.gz OAGVHEWRFGIPDU-ZWKOTPCHSA-N 2 0 303.494 3.847 20 30 DHEDRP C=CCOCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000470771788 339327507 /nfs/dbraw/zinc/32/75/07/339327507.db2.gz HFCGELQISQAQDK-SFHVURJKSA-N 2 0 308.510 3.556 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512659486 340371645 /nfs/dbraw/zinc/37/16/45/340371645.db2.gz HJPPCVDVOARMDD-CABCVRRESA-N 2 0 305.441 3.858 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403839 341376657 /nfs/dbraw/zinc/37/66/57/341376657.db2.gz PFYIDFYOESMIAI-FCEWJHQRSA-N 2 0 311.473 3.862 20 30 DHEDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010176 521879691 /nfs/dbraw/zinc/87/96/91/521879691.db2.gz HFAFPBDOOBZKLU-GOSISDBHSA-N 2 0 319.452 3.609 20 30 DHEDRP N#Cc1ccc(C[NH2+]CCCCCCC[NH+]2CCCC2)s1 ZINC000267206661 526622926 /nfs/dbraw/zinc/62/29/26/526622926.db2.gz PPCFJGPPERPTAZ-UHFFFAOYSA-N 2 0 305.491 3.756 20 30 DHEDRP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167964460 1013216377 /nfs/dbraw/zinc/21/63/77/1013216377.db2.gz QOVHROSNNNEAPR-IHWFROFDSA-N 2 0 323.484 3.788 20 30 DHEDRP C=CCCCCC[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001209432698 1013275308 /nfs/dbraw/zinc/27/53/08/1013275308.db2.gz INRWMYROPYHXLC-UHFFFAOYSA-N 2 0 323.569 3.863 20 30 DHEDRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712867 1013352686 /nfs/dbraw/zinc/35/26/86/1013352686.db2.gz NAUZLOOKYQWGOM-ZWKOTPCHSA-N 2 0 301.478 3.965 20 30 DHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177684964 1013978565 /nfs/dbraw/zinc/97/85/65/1013978565.db2.gz RUWBYKBZCGXJMY-UHFFFAOYSA-N 2 0 313.470 3.750 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318354 1014793029 /nfs/dbraw/zinc/79/30/29/1014793029.db2.gz YNQHMYIGVHPGGK-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP C=CCOC1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173316158 1033709802 /nfs/dbraw/zinc/70/98/02/1033709802.db2.gz XOADGCCOLWQWRN-MPLMCADHSA-N 2 0 308.510 3.634 20 30 DHEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000104164686 1016230574 /nfs/dbraw/zinc/23/05/74/1016230574.db2.gz JQOQACWTDYAPHH-UHFFFAOYSA-N 2 0 324.472 3.764 20 30 DHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000671243945 1016736885 /nfs/dbraw/zinc/73/68/85/1016736885.db2.gz PKVRAXGURLONJC-OKILXGFUSA-N 2 0 304.484 3.814 20 30 DHEDRP C[NH+](C)C1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001168324193 1032268549 /nfs/dbraw/zinc/26/85/49/1032268549.db2.gz JJVAKTIUIKLQDC-UHFFFAOYSA-N 2 0 311.473 3.610 20 30 DHEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)c1 ZINC000303903075 1017458860 /nfs/dbraw/zinc/45/88/60/1017458860.db2.gz YEYVAJUSZXQUCD-UHFFFAOYSA-N 2 0 324.472 3.682 20 30 DHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613253 1017572908 /nfs/dbraw/zinc/57/29/08/1017572908.db2.gz JQSHEYRFIGDODN-YLJYHZDGSA-N 2 0 313.489 3.628 20 30 DHEDRP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392573 1019466667 /nfs/dbraw/zinc/46/66/67/1019466667.db2.gz WMFOCVGGZBPXRN-FQEVSTJZSA-N 2 0 311.473 3.790 20 30 DHEDRP N#CC1(CCCCN2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000929286232 1019929846 /nfs/dbraw/zinc/92/98/46/1019929846.db2.gz IZKJIIUQBUMBIY-UHFFFAOYSA-N 2 0 303.494 3.801 20 30 DHEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069496 1020129194 /nfs/dbraw/zinc/12/91/94/1020129194.db2.gz FVLLCAZOCANCOE-QGZVFWFLSA-N 2 0 308.510 3.602 20 30 DHEDRP CC[NH+](CC)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000499995227 1020199041 /nfs/dbraw/zinc/19/90/41/1020199041.db2.gz DZTPGFLAGRZMLT-UHFFFAOYSA-N 2 0 313.489 3.712 20 30 DHEDRP C#CCCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000183045118 1021951929 /nfs/dbraw/zinc/95/19/29/1021951929.db2.gz XYBYIHVXMLLOCY-MRXNPFEDSA-N 2 0 302.462 3.601 20 30 DHEDRP CC1(C)CN(CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019399 1024276698 /nfs/dbraw/zinc/27/66/98/1024276698.db2.gz OWDFZBAGEUUAQQ-IBGZPJMESA-N 2 0 311.473 3.523 20 30 DHEDRP CSc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773708 1024354028 /nfs/dbraw/zinc/35/40/28/1024354028.db2.gz OKRCQVMHHXVWCW-IAGOWNOFSA-N 2 0 309.438 3.515 20 30 DHEDRP C=CCC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464967 1024398210 /nfs/dbraw/zinc/39/82/10/1024398210.db2.gz HOYAHCJGASDBCT-ZWKOTPCHSA-N 2 0 302.462 3.999 20 30 DHEDRP C=CCC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464965 1024400044 /nfs/dbraw/zinc/40/00/44/1024400044.db2.gz HOYAHCJGASDBCT-ROUUACIJSA-N 2 0 302.462 3.999 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492606 1033226996 /nfs/dbraw/zinc/22/69/96/1033226996.db2.gz MYLIRKFTAQGEBY-NSISKUIASA-N 2 0 324.472 3.713 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228944 /nfs/dbraw/zinc/22/89/44/1033228944.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 2 0 311.473 3.523 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000793551887 1025093209 /nfs/dbraw/zinc/09/32/09/1025093209.db2.gz WFWMHUMDFNORGK-IHPCNDPISA-N 2 0 322.537 3.869 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875057 1025395504 /nfs/dbraw/zinc/39/55/04/1025395504.db2.gz CVTMZUNUZQTPGS-FMKPAKJESA-N 2 0 308.853 3.596 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886617318 1025745220 /nfs/dbraw/zinc/74/52/20/1025745220.db2.gz KKXMKEZFBOMKFS-MQBSTWLZSA-N 2 0 323.484 3.711 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924865545 1025788496 /nfs/dbraw/zinc/78/84/96/1025788496.db2.gz HPWGIDWBPXIKOH-HNNXBMFYSA-N 2 0 319.518 3.878 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791229 /nfs/dbraw/zinc/79/12/29/1025791229.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 2 0 313.489 3.792 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793267 /nfs/dbraw/zinc/79/32/67/1025793267.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 2 0 313.489 3.792 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635246 1026578468 /nfs/dbraw/zinc/57/84/68/1026578468.db2.gz VCXDQTNZSSIPCI-GCJKJVERSA-N 2 0 318.464 3.668 20 30 DHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000810221437 1026711411 /nfs/dbraw/zinc/71/14/11/1026711411.db2.gz GKQSFRSZBUWMHR-GRERDSQWSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000421356942 1026971664 /nfs/dbraw/zinc/97/16/64/1026971664.db2.gz YVBMVJFHPQWURB-KSSFIOAISA-N 2 0 317.502 3.752 20 30 DHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC000931467934 1027132252 /nfs/dbraw/zinc/13/22/52/1027132252.db2.gz PYMQAJPVPZKUPU-UHFFFAOYSA-N 2 0 317.864 3.519 20 30 DHEDRP N#CC1CCC(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000931706211 1027226043 /nfs/dbraw/zinc/22/60/43/1027226043.db2.gz AXECQMWGJZEHOO-TVPLGVNVSA-N 2 0 308.429 3.544 20 30 DHEDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522669 1027580540 /nfs/dbraw/zinc/58/05/40/1027580540.db2.gz VEBDETHBIUXVTO-IFXJQAMLSA-N 2 0 311.404 3.828 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374052398 1029192984 /nfs/dbraw/zinc/19/29/84/1029192984.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 2 0 311.473 3.668 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970095 1029310316 /nfs/dbraw/zinc/31/03/16/1029310316.db2.gz LFJLGCYYZOBKTN-IMJJTQAJSA-N 2 0 308.853 3.738 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000530953016 1030095255 /nfs/dbraw/zinc/09/52/55/1030095255.db2.gz UMVHFGSIYRQBKZ-RDJZCZTQSA-N 2 0 305.491 3.610 20 30 DHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924660181 1030155103 /nfs/dbraw/zinc/15/51/03/1030155103.db2.gz XHRBFLOPYNGPDS-MRXNPFEDSA-N 2 0 301.478 3.945 20 30 DHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924827178 1030197109 /nfs/dbraw/zinc/19/71/09/1030197109.db2.gz AMLZRAQUPRZAEN-INIZCTEOSA-N 2 0 301.478 3.945 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000866517459 1030341063 /nfs/dbraw/zinc/34/10/63/1030341063.db2.gz ZTACCVLIDDYNRW-BELGNNRLSA-N 2 0 303.425 3.611 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000927036401 1031044779 /nfs/dbraw/zinc/04/47/79/1031044779.db2.gz BIXWQGHMBQPFJS-STJZUHDESA-N 2 0 315.436 3.755 20 30 DHEDRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000927037193 1031045792 /nfs/dbraw/zinc/04/57/92/1031045792.db2.gz HTUHKDYYHZWVCE-VEDCXYSMSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566947 /nfs/dbraw/zinc/56/69/47/1031566947.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 2 0 317.521 3.903 20 30 DHEDRP C=CCN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360841130 1031584838 /nfs/dbraw/zinc/58/48/38/1031584838.db2.gz QXSSUZAGAUBFQD-HXUWFJFHSA-N 2 0 309.457 3.566 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000361463364 1031933447 /nfs/dbraw/zinc/93/34/47/1031933447.db2.gz FQUKEUYLQKUQKN-PXNSSMCTSA-N 2 0 311.473 3.844 20 30 DHEDRP N#CCC1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173325614 1033686281 /nfs/dbraw/zinc/68/62/81/1033686281.db2.gz LOTAYTHTHFCZPW-SKINQDTJSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C(CC)CC)CC2)CC1 ZINC001173316756 1033710308 /nfs/dbraw/zinc/71/03/08/1033710308.db2.gz MOHHGKOGSQQFCW-UHFFFAOYSA-N 2 0 322.537 3.990 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519696 1034082705 /nfs/dbraw/zinc/08/27/05/1034082705.db2.gz QFGHJEFYNCSHRM-YMQHIKHWSA-N 2 0 323.484 3.569 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519690 1034083920 /nfs/dbraw/zinc/08/39/20/1034083920.db2.gz QFGHJEFYNCSHRM-CRSSMBPESA-N 2 0 323.484 3.569 20 30 DHEDRP C#CC[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001176070155 1035190552 /nfs/dbraw/zinc/19/05/52/1035190552.db2.gz NCVSIZOXIVGRPE-JOCHJYFZSA-N 2 0 324.512 3.676 20 30 DHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001177785333 1035392890 /nfs/dbraw/zinc/39/28/90/1035392890.db2.gz VPNUXLCWUIGKCY-RTBURBONSA-N 2 0 316.489 3.504 20 30 DHEDRP C=CCC[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193472016 1035639708 /nfs/dbraw/zinc/63/97/08/1035639708.db2.gz BEKRTFFOQXOUBZ-UHFFFAOYSA-N 2 0 300.490 3.839 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000668552340 1035978636 /nfs/dbraw/zinc/97/86/36/1035978636.db2.gz JFZLGDUSSZMHFL-PKOBYXMFSA-N 2 0 320.521 3.744 20 30 DHEDRP C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925418227 1036325252 /nfs/dbraw/zinc/32/52/52/1036325252.db2.gz RYMWYBFINAFCNT-QGZVFWFLSA-N 2 0 322.452 3.611 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271960776 1036756617 /nfs/dbraw/zinc/75/66/17/1036756617.db2.gz UJBPJVXMUDONNV-HUUCEWRRSA-N 2 0 305.441 3.858 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271960764 1036758557 /nfs/dbraw/zinc/75/85/57/1036758557.db2.gz UJBPJVXMUDONNV-CABCVRRESA-N 2 0 305.441 3.858 20 30 DHEDRP CCCCCCCCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001201875430 1037926333 /nfs/dbraw/zinc/92/63/33/1037926333.db2.gz ZUBPBKZATFZDBY-UHFFFAOYSA-N 2 0 323.569 3.841 20 30 DHEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584783 1039860942 /nfs/dbraw/zinc/86/09/42/1039860942.db2.gz JPWXOLGSOMTPFF-LPHOPBHVSA-N 2 0 311.473 3.838 20 30 DHEDRP N#CC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623219 1040194893 /nfs/dbraw/zinc/19/48/93/1040194893.db2.gz KFQLSHMISIBURT-GOSISDBHSA-N 2 0 311.473 3.798 20 30 DHEDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094359 1040307379 /nfs/dbraw/zinc/30/73/79/1040307379.db2.gz LCNBEHRMFCGDPZ-UYAOXDASSA-N 2 0 311.473 3.721 20 30 DHEDRP C[C@H](CCC#N)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000602481975 1041053208 /nfs/dbraw/zinc/05/32/08/1041053208.db2.gz DQUMUEFHDQSRQD-QZTJIDSGSA-N 2 0 305.510 3.903 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602569660 1041100548 /nfs/dbraw/zinc/10/05/48/1041100548.db2.gz RAVAJVCPBLUYLU-PNYFIKQUSA-N 2 0 313.489 3.672 20 30 DHEDRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247651 /nfs/dbraw/zinc/24/76/51/1041247651.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 2 0 317.502 3.504 20 30 DHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449486406 332288506 /nfs/dbraw/zinc/28/85/06/332288506.db2.gz SABFKTUMZUEKQW-QGZVFWFLSA-N 2 0 300.490 3.884 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032359 333223053 /nfs/dbraw/zinc/22/30/53/333223053.db2.gz YTFGYVJGPFCECP-IEBWSBKVSA-N 2 0 303.494 3.703 20 30 DHEDRP CC(C)(C#N)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285471444 334148133 /nfs/dbraw/zinc/14/81/33/334148133.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 2 0 311.473 3.524 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193046 /nfs/dbraw/zinc/19/30/46/334193046.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 2 0 323.484 3.665 20 30 DHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535081619 334366207 /nfs/dbraw/zinc/36/62/07/334366207.db2.gz FCGILDDHVZFJRH-UHFFFAOYSA-N 2 0 316.489 3.804 20 30 DHEDRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872546 336278464 /nfs/dbraw/zinc/27/84/64/336278464.db2.gz QHXLHDMJXMHGTJ-QGZVFWFLSA-N 2 0 307.441 3.731 20 30 DHEDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000192918880 336284274 /nfs/dbraw/zinc/28/42/74/336284274.db2.gz BONGQGORFJXYQB-IRXDYDNUSA-N 2 0 315.461 3.504 20 30 DHEDRP CC1CC[NH+](CC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000378335502 337070191 /nfs/dbraw/zinc/07/01/91/337070191.db2.gz QWKNISLJUCIMSA-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP C=C(C)CN1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193906374 337081255 /nfs/dbraw/zinc/08/12/55/337081255.db2.gz DSAONPIBSGTRMA-UHFFFAOYSA-N 2 0 304.503 3.550 20 30 DHEDRP C=CCN1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000177904456 337158850 /nfs/dbraw/zinc/15/88/50/337158850.db2.gz CPPPXGDVPZHIAG-MRXNPFEDSA-N 2 0 306.450 3.603 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269002679 337635878 /nfs/dbraw/zinc/63/58/78/337635878.db2.gz LXWMHPVEMLPWSB-HNNXBMFYSA-N 2 0 310.869 3.810 20 30 DHEDRP C=CCOc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000432802284 338168465 /nfs/dbraw/zinc/16/84/65/338168465.db2.gz ZBVPIESFMQXZPX-INIZCTEOSA-N 2 0 322.880 3.821 20 30 DHEDRP C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313777 340880519 /nfs/dbraw/zinc/88/05/19/340880519.db2.gz IXOPRSPJOMWSGP-INIZCTEOSA-N 2 0 319.468 3.584 20 30 DHEDRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234351 /nfs/dbraw/zinc/23/43/51/341234351.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 0 313.489 3.794 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC000131072864 520994153 /nfs/dbraw/zinc/99/41/53/520994153.db2.gz YPVWSLGUPNBTNW-UHFFFAOYSA-N 2 0 317.502 3.752 20 30 DHEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221312 524810337 /nfs/dbraw/zinc/81/03/37/524810337.db2.gz CRLWNFHPVLSASE-JXFKEZNVSA-N 2 0 319.452 3.798 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120892326 1013708863 /nfs/dbraw/zinc/70/88/63/1013708863.db2.gz WTIJIESUWAICAT-UHFFFAOYSA-N 2 0 317.452 3.641 20 30 DHEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442789702 1014735381 /nfs/dbraw/zinc/73/53/81/1014735381.db2.gz KENMNDIFEAPFJB-YLJYHZDGSA-N 2 0 311.473 3.700 20 30 DHEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826224 1015757079 /nfs/dbraw/zinc/75/70/79/1015757079.db2.gz QJUFHRRTCQVZBR-IBGZPJMESA-N 2 0 311.473 3.788 20 30 DHEDRP C=CCOC1CCC([N@@H+](C)C2CC[NH+](CCCC)CC2)CC1 ZINC001173325935 1033684672 /nfs/dbraw/zinc/68/46/72/1033684672.db2.gz UESKPNOUYFFAFS-UHFFFAOYSA-N 2 0 308.510 3.697 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158261546 1016717772 /nfs/dbraw/zinc/71/77/72/1016717772.db2.gz BUBUESLLAFXUQC-CVEARBPZSA-N 2 0 322.880 3.810 20 30 DHEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000671243944 1016739184 /nfs/dbraw/zinc/73/91/84/1016739184.db2.gz PKVRAXGURLONJC-KBPBESRZSA-N 2 0 304.484 3.814 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000424319613 1011976197 /nfs/dbraw/zinc/97/61/97/1011976197.db2.gz FFXIGINLSKGHMU-XNTOXWQXSA-N 2 0 323.484 3.711 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000515609989 1012677505 /nfs/dbraw/zinc/67/75/05/1012677505.db2.gz HLIGALZWYCLCIL-UHFFFAOYSA-N 2 0 305.510 3.903 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000134167165 1017774983 /nfs/dbraw/zinc/77/49/83/1017774983.db2.gz SDSPVSYNLFSBQW-UHFFFAOYSA-N 2 0 305.491 3.564 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708537145 1018842442 /nfs/dbraw/zinc/84/24/42/1018842442.db2.gz IQOCCTRRLIQDCZ-ZHALLVOQSA-N 2 0 313.489 3.672 20 30 DHEDRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1(C)C ZINC001171624510 1032808682 /nfs/dbraw/zinc/80/86/82/1032808682.db2.gz UQEROSMXTFLESB-GOSISDBHSA-N 2 0 311.473 3.787 20 30 DHEDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390973 1019465402 /nfs/dbraw/zinc/46/54/02/1019465402.db2.gz YKFPADYTQCYJBH-NRFANRHFSA-N 2 0 319.452 3.787 20 30 DHEDRP CC1(C)CC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000611390326 1019473961 /nfs/dbraw/zinc/47/39/61/1019473961.db2.gz SGRDHRGUCYOTFE-SFHVURJKSA-N 2 0 311.473 3.834 20 30 DHEDRP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124258 1033025931 /nfs/dbraw/zinc/02/59/31/1033025931.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 2 0 308.469 3.624 20 30 DHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299207 1033103629 /nfs/dbraw/zinc/10/36/29/1033103629.db2.gz KFJBDZUVTXVFLV-MSOLQXFVSA-N 2 0 321.468 3.586 20 30 DHEDRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299210 1033104334 /nfs/dbraw/zinc/10/43/34/1033104334.db2.gz KFJBDZUVTXVFLV-ROUUACIJSA-N 2 0 321.468 3.586 20 30 DHEDRP CCCCCCC[C@H](CC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172346982 1033131473 /nfs/dbraw/zinc/13/14/73/1033131473.db2.gz OKNPGSXUOGJVIX-IBGZPJMESA-N 2 0 311.558 3.741 20 30 DHEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000348244378 1024547446 /nfs/dbraw/zinc/54/74/46/1024547446.db2.gz NPTIEGFAZOPIJK-INIZCTEOSA-N 2 0 317.477 3.608 20 30 DHEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172491182 1033223658 /nfs/dbraw/zinc/22/36/58/1033223658.db2.gz DYMFEDOOMIQKTJ-HNNXBMFYSA-N 2 0 319.880 3.758 20 30 DHEDRP CC[NH+]1CCC(CC2CC[NH+]([C@H](C)CCCC#N)CC2)CC1 ZINC001172498138 1033230201 /nfs/dbraw/zinc/23/02/01/1033230201.db2.gz JDKXQHCYIJUNRZ-QGZVFWFLSA-N 2 0 305.510 3.903 20 30 DHEDRP CCCCCCC[C@@H](CCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172503184 1033231939 /nfs/dbraw/zinc/23/19/39/1033231939.db2.gz WKAFFNSAXAPRTF-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP C[NH+](C)CCCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170360186 1024753199 /nfs/dbraw/zinc/75/31/99/1024753199.db2.gz QCAXKYVWJRYXAA-UHFFFAOYSA-N 2 0 313.489 3.712 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000886525044 1025676741 /nfs/dbraw/zinc/67/67/41/1025676741.db2.gz WFRXUBYAZUGHNG-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160598 1025781359 /nfs/dbraw/zinc/78/13/59/1025781359.db2.gz KZYSKEKDASMEKH-UHFFFAOYSA-N 2 0 313.489 3.651 20 30 DHEDRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025799981 /nfs/dbraw/zinc/79/99/81/1025799981.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 0 311.473 3.546 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000809603749 1026573655 /nfs/dbraw/zinc/57/36/55/1026573655.db2.gz VFLZBKNLMNMMKL-UHFFFAOYSA-N 2 0 318.464 3.944 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635248 1026578886 /nfs/dbraw/zinc/57/88/86/1026578886.db2.gz VCXDQTNZSSIPCI-PGRDOPGGSA-N 2 0 318.464 3.668 20 30 DHEDRP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000183186589 1026685424 /nfs/dbraw/zinc/68/54/24/1026685424.db2.gz KDEXLQDXEUWRQN-UHFFFAOYSA-N 2 0 320.440 3.647 20 30 DHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000810221438 1026711727 /nfs/dbraw/zinc/71/17/27/1026711727.db2.gz GKQSFRSZBUWMHR-GZNCHQMQSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367208168 1028148218 /nfs/dbraw/zinc/14/82/18/1028148218.db2.gz HWIHZEIXNCWORV-QFBILLFUSA-N 2 0 323.484 3.816 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449294952 1028516540 /nfs/dbraw/zinc/51/65/40/1028516540.db2.gz OIZIPBQGKRQTRP-XEVCZEQESA-N 2 0 311.473 3.571 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976015 1029313022 /nfs/dbraw/zinc/31/30/22/1029313022.db2.gz DMYVUZNPDSZQRU-YOEHRIQHSA-N 2 0 320.864 3.611 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976010 1029314719 /nfs/dbraw/zinc/31/47/19/1029314719.db2.gz DMYVUZNPDSZQRU-PBHICJAKSA-N 2 0 320.864 3.611 20 30 DHEDRP C#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820820785 1029770796 /nfs/dbraw/zinc/77/07/96/1029770796.db2.gz BKLVRPFVKNFJOY-SEJPIABJSA-N 2 0 310.485 3.965 20 30 DHEDRP C=CCOc1cccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000865765749 1030014250 /nfs/dbraw/zinc/01/42/50/1030014250.db2.gz KUVXWBXULZZMRT-UHFFFAOYSA-N 2 0 302.462 3.604 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607227 1030419683 /nfs/dbraw/zinc/41/96/83/1030419683.db2.gz AVUXODFHHPCXIJ-WWDZGPRUSA-N 2 0 305.510 3.947 20 30 DHEDRP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(C#N)cc1F ZINC000358555376 1030535278 /nfs/dbraw/zinc/53/52/78/1030535278.db2.gz KVOLSTDSQQCTBH-AWEZNQCLSA-N 2 0 320.371 3.734 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000358579536 1030545659 /nfs/dbraw/zinc/54/56/59/1030545659.db2.gz WPIYBWFUJUFIJF-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312925 1030694258 /nfs/dbraw/zinc/69/42/58/1030694258.db2.gz CCCSGZIXSAUUFO-VFNWGFHPSA-N 2 0 319.452 3.958 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926550069 1030793165 /nfs/dbraw/zinc/79/31/65/1030793165.db2.gz KDFRYUINBQDJEJ-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000927037185 1031046590 /nfs/dbraw/zinc/04/65/90/1031046590.db2.gz HTUHKDYYHZWVCE-CKHPTIKVSA-N 2 0 323.484 3.932 20 30 DHEDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655541 1031507175 /nfs/dbraw/zinc/50/71/75/1031507175.db2.gz DGNLRGLIZGDTNM-HXUWFJFHSA-N 2 0 311.473 3.788 20 30 DHEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663457 1031512657 /nfs/dbraw/zinc/51/26/57/1031512657.db2.gz JQVNHHANLGFWGK-NSHGMRRFSA-N 2 0 311.473 3.788 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000872139708 1031533297 /nfs/dbraw/zinc/53/32/97/1031533297.db2.gz OASJLEOHSKPAKA-WSJSTIOHSA-N 2 0 322.496 3.964 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360837034 1031580494 /nfs/dbraw/zinc/58/04/94/1031580494.db2.gz OICUXKOSRLMZKX-NRFANRHFSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001171183330 1031593590 /nfs/dbraw/zinc/59/35/90/1031593590.db2.gz DOZBUISKFBDIGY-XFQXTVEOSA-N 2 0 313.489 3.623 20 30 DHEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599235 /nfs/dbraw/zinc/59/92/35/1031599235.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 2 0 303.494 3.514 20 30 DHEDRP Cc1cccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000104162916 1033654179 /nfs/dbraw/zinc/65/41/79/1033654179.db2.gz ZYLKKXXTVPRMNN-UHFFFAOYSA-N 2 0 324.472 3.762 20 30 DHEDRP C=CCOC1CCC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001173323537 1033684949 /nfs/dbraw/zinc/68/49/49/1033684949.db2.gz AOANSZCRWCQBMW-UHFFFAOYSA-N 2 0 320.521 3.554 20 30 DHEDRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000179755216 1034334211 /nfs/dbraw/zinc/33/42/11/1034334211.db2.gz DGWFTIUGVJFFQT-MRXNPFEDSA-N 2 0 320.440 3.520 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000668552339 1035979399 /nfs/dbraw/zinc/97/93/99/1035979399.db2.gz JFZLGDUSSZMHFL-MJGOQNOKSA-N 2 0 320.521 3.744 20 30 DHEDRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708421 1036135831 /nfs/dbraw/zinc/13/58/31/1036135831.db2.gz SBFCCCXBBVVVJZ-SUMWQHHRSA-N 2 0 305.441 3.714 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197166 /nfs/dbraw/zinc/19/71/66/1036197166.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 2 0 317.521 3.903 20 30 DHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271926069 1036696029 /nfs/dbraw/zinc/69/60/29/1036696029.db2.gz JCULMAZKTZPOKQ-MRXNPFEDSA-N 2 0 317.452 3.860 20 30 DHEDRP C#Cc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001200942138 1037482367 /nfs/dbraw/zinc/48/23/67/1037482367.db2.gz NMDGYJHPMBXKFA-GOSISDBHSA-N 2 0 306.453 3.668 20 30 DHEDRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000604475538 1039481231 /nfs/dbraw/zinc/48/12/31/1039481231.db2.gz LXTPIHKUAVNMPN-UHFFFAOYSA-N 2 0 313.489 3.568 20 30 DHEDRP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602523907 1041071150 /nfs/dbraw/zinc/07/11/50/1041071150.db2.gz IBOSGRMFWUYNPI-SYYJFZTOSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602590063 1041104772 /nfs/dbraw/zinc/10/47/72/1041104772.db2.gz VSSVELDIJXUAGL-PYXOFJJQSA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665890 1041149293 /nfs/dbraw/zinc/14/92/93/1041149293.db2.gz DLLBEEAFDRREDA-AZUAARDMSA-N 2 0 313.489 3.818 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](CC2(CC#N)CC2)CC1)CC1CC1 ZINC000602796224 1041218441 /nfs/dbraw/zinc/21/84/41/1041218441.db2.gz DMVURLNTGOGXTP-UHFFFAOYSA-N 2 0 303.494 3.514 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000152932150 332332602 /nfs/dbraw/zinc/33/26/02/332332602.db2.gz YTLFHDLYYWAXFE-QGZVFWFLSA-N 2 0 320.477 3.993 20 30 DHEDRP C=C(C)[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318385 335152835 /nfs/dbraw/zinc/15/28/35/335152835.db2.gz CDNKJYYZKWGPNG-SFHVURJKSA-N 2 0 306.400 3.798 20 30 DHEDRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271054732 334017540 /nfs/dbraw/zinc/01/75/40/334017540.db2.gz CNJJHEXFCCUNII-UHFFFAOYSA-N 2 0 313.489 3.710 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278501226 334097158 /nfs/dbraw/zinc/09/71/58/334097158.db2.gz AGOOQNDFMMESSV-VQTJNVASSA-N 2 0 311.473 3.523 20 30 DHEDRP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295123170 334219087 /nfs/dbraw/zinc/21/90/87/334219087.db2.gz WWZYGWDGXBIQAZ-XEYPJELSSA-N 2 0 311.473 3.569 20 30 DHEDRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360873561 336725205 /nfs/dbraw/zinc/72/52/05/336725205.db2.gz QXCBXYJPWRFJNQ-IBGZPJMESA-N 2 0 311.473 3.647 20 30 DHEDRP CC1CCC([NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000371795746 336913356 /nfs/dbraw/zinc/91/33/56/336913356.db2.gz IXJBJCFKLWEGAZ-UHFFFAOYSA-N 2 0 305.510 3.949 20 30 DHEDRP C[N@H+](Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753312 337018754 /nfs/dbraw/zinc/01/87/54/337018754.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 2 0 311.473 3.545 20 30 DHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515179 337075010 /nfs/dbraw/zinc/07/50/10/337075010.db2.gz FXHWLNLYEQABJS-ZLGUVYLKSA-N 2 0 319.452 3.902 20 30 DHEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423013782 337695531 /nfs/dbraw/zinc/69/55/31/337695531.db2.gz GSNFJXHMDZSPIF-HRAATJIYSA-N 2 0 319.452 3.703 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777205 338430424 /nfs/dbraw/zinc/43/04/24/338430424.db2.gz IMPAUSHYMKZUTA-YLJYHZDGSA-N 2 0 311.473 3.844 20 30 DHEDRP C#CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139105 /nfs/dbraw/zinc/13/91/05/1013139105.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 2 0 316.514 3.694 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442706551 1014718666 /nfs/dbraw/zinc/71/86/66/1014718666.db2.gz DUOUXNQHUJIKHR-UWVAXJGDSA-N 2 0 311.473 3.843 20 30 DHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780714 1014729995 /nfs/dbraw/zinc/72/99/95/1014729995.db2.gz NITKIJIZNIZIEY-APWZRJJASA-N 2 0 323.440 3.693 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443973526 1015804130 /nfs/dbraw/zinc/80/41/30/1015804130.db2.gz ZXFOLJJGKYFYSU-UHFFFAOYSA-N 2 0 321.468 3.998 20 30 DHEDRP N#CCC1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173335765 1033692368 /nfs/dbraw/zinc/69/23/68/1033692368.db2.gz XPHVDUFFOMOWHG-XBMUEBEBSA-N 2 0 303.494 3.799 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424324909 1011981973 /nfs/dbraw/zinc/98/19/73/1011981973.db2.gz KKEGMVQRNMBLQN-XDWAVFMPSA-N 2 0 323.484 3.569 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708537137 1018841276 /nfs/dbraw/zinc/84/12/76/1018841276.db2.gz IQOCCTRRLIQDCZ-SCTDSRPQSA-N 2 0 313.489 3.672 20 30 DHEDRP C=CCC[C@@H](CCC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068600 1020128649 /nfs/dbraw/zinc/12/86/49/1020128649.db2.gz XNBFNBRMJKMLNT-GOSISDBHSA-N 2 0 308.510 3.602 20 30 DHEDRP C=CCOCCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000658204784 1020222672 /nfs/dbraw/zinc/22/26/72/1020222672.db2.gz BLQFFEQSYWXRKX-UHFFFAOYSA-N 2 0 310.526 3.848 20 30 DHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000658356343 1020322349 /nfs/dbraw/zinc/32/23/49/1020322349.db2.gz NLBVJHDWKPUGMH-SFHVURJKSA-N 2 0 302.462 3.999 20 30 DHEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181513419 1021221568 /nfs/dbraw/zinc/22/15/68/1021221568.db2.gz VABIHBYRDWZBSN-KURKYZTESA-N 2 0 313.489 3.967 20 30 DHEDRP C(#Cc1ccccc1)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000892752528 1021595776 /nfs/dbraw/zinc/59/57/76/1021595776.db2.gz MFUOQLZVMQKOJS-UHFFFAOYSA-N 2 0 324.493 3.601 20 30 DHEDRP C=C(Br)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647903 1021662450 /nfs/dbraw/zinc/66/24/50/1021662450.db2.gz LGXQGGQCCBZKID-ZBFHGGJFSA-N 2 0 323.278 3.538 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136566 1021923130 /nfs/dbraw/zinc/92/31/30/1021923130.db2.gz KLXQBNDKJZPKRD-PXNSSMCTSA-N 2 0 319.452 3.731 20 30 DHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])c2cccnc2)cc1 ZINC001168838797 1022147908 /nfs/dbraw/zinc/14/79/08/1022147908.db2.gz OKOVIARSRPKFKJ-HXUWFJFHSA-N 2 0 322.456 3.501 20 30 DHEDRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229400 1022225362 /nfs/dbraw/zinc/22/53/62/1022225362.db2.gz IOZFCFSOWMIYRN-UTKZUKDTSA-N 2 0 319.452 3.558 20 30 DHEDRP C(=[NH+]n1cnc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853284031 1022249600 /nfs/dbraw/zinc/24/96/00/1022249600.db2.gz MPDGWZLHDOWHTD-UHFFFAOYSA-N 2 0 318.424 3.782 20 30 DHEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768262349 1022936963 /nfs/dbraw/zinc/93/69/63/1022936963.db2.gz IZUPIHQVBHODMH-INIZCTEOSA-N 2 0 307.441 3.813 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299612 1033104239 /nfs/dbraw/zinc/10/42/39/1033104239.db2.gz MOXMLAZQOUIULB-PBPGXSGUSA-N 2 0 313.489 3.732 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172354198 1033136883 /nfs/dbraw/zinc/13/68/83/1033136883.db2.gz FQMKYVWBTASTGQ-LJQANCHMSA-N 2 0 323.569 3.837 20 30 DHEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172353983 1033137226 /nfs/dbraw/zinc/13/72/26/1033137226.db2.gz CUMISUIYPVCJAQ-SLFFLAALSA-N 2 0 323.569 3.836 20 30 DHEDRP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173138 1024268133 /nfs/dbraw/zinc/26/81/33/1024268133.db2.gz CSNPYLIDWKVNCB-GUDVDZBRSA-N 2 0 314.473 3.617 20 30 DHEDRP C=CCC[C@@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883227480 1024302839 /nfs/dbraw/zinc/30/28/39/1024302839.db2.gz RMOXADFXRWDMIR-QBUWPKIASA-N 2 0 314.473 3.615 20 30 DHEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001172490537 1033222359 /nfs/dbraw/zinc/22/23/59/1033222359.db2.gz HNEHSZMWNYXNKR-GGPKGHCWSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490842 1033222899 /nfs/dbraw/zinc/22/28/99/1033222899.db2.gz AZDUCDRQFBJZIL-ATZDWAIDSA-N 2 0 317.452 3.980 20 30 DHEDRP C[C@@H](CCCC#N)[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001172498119 1033230242 /nfs/dbraw/zinc/23/02/42/1033230242.db2.gz IWRIRDDGFCURKJ-SFHVURJKSA-N 2 0 311.473 3.667 20 30 DHEDRP CCCCCCCC[C@@H](CC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172501203 1033231188 /nfs/dbraw/zinc/23/11/88/1033231188.db2.gz AOFNJWCTWDYDPT-LJQANCHMSA-N 2 0 312.542 3.810 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793532110 1025110576 /nfs/dbraw/zinc/11/05/76/1025110576.db2.gz FMVLMPISWOXYFU-ROUUACIJSA-N 2 0 308.510 3.602 20 30 DHEDRP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000178704029 1025853221 /nfs/dbraw/zinc/85/32/21/1025853221.db2.gz IHULKOBVKBISNE-QIRJYLHFSA-N 2 0 317.477 3.530 20 30 DHEDRP N#Cc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000933609456 1027772337 /nfs/dbraw/zinc/77/23/37/1027772337.db2.gz ACPSFYDDYNDOCM-UHFFFAOYSA-N 2 0 311.473 3.614 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449236518 1028457719 /nfs/dbraw/zinc/45/77/19/1028457719.db2.gz YEVYGAPWQCXIPY-HNXFYBAISA-N 2 0 303.494 3.701 20 30 DHEDRP C[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671812 1028516975 /nfs/dbraw/zinc/51/69/75/1028516975.db2.gz JQYQOJSWEAQCKV-ZBFHGGJFSA-N 2 0 305.491 3.660 20 30 DHEDRP CC1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000373187413 1028970482 /nfs/dbraw/zinc/97/04/82/1028970482.db2.gz MHNGQOZKHZTDLM-YDXUJSMASA-N 2 0 303.494 3.701 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817970755 1029310073 /nfs/dbraw/zinc/31/00/73/1029310073.db2.gz DLPJZUNYKWNPLC-IJEWVQPXSA-N 2 0 308.853 3.609 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866470609 1030310941 /nfs/dbraw/zinc/31/09/41/1030310941.db2.gz VQDJHLAPLXJQKG-UXHICEINSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571716 1030539908 /nfs/dbraw/zinc/53/99/08/1030539908.db2.gz PKAUJLAAIVHWIW-CABCVRRESA-N 2 0 303.425 3.612 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163824 1030722449 /nfs/dbraw/zinc/72/24/49/1030722449.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 2 0 311.473 3.667 20 30 DHEDRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000927040551 1031048281 /nfs/dbraw/zinc/04/82/81/1031048281.db2.gz XXJVFMGMOGNXHP-SYYJFZTOSA-N 2 0 309.457 3.542 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271881049 1031264592 /nfs/dbraw/zinc/26/45/92/1031264592.db2.gz PJKUUXHTSVZENB-HNNXBMFYSA-N 2 0 320.864 3.730 20 30 DHEDRP C=CCCC[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995495 1031483639 /nfs/dbraw/zinc/48/36/39/1031483639.db2.gz NUSJBBYEABJPOV-KURKYZTESA-N 2 0 308.510 3.552 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872139999 1031533160 /nfs/dbraw/zinc/53/31/60/1031533160.db2.gz VAVCAWGFYCUIAS-VURPSTOHSA-N 2 0 310.485 3.679 20 30 DHEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831440 1031578612 /nfs/dbraw/zinc/57/86/12/1031578612.db2.gz FIHWXTFNLAHGLT-YLJYHZDGSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171192884 1031635741 /nfs/dbraw/zinc/63/57/41/1031635741.db2.gz QLFMBKHHXQVRJH-QZTJIDSGSA-N 2 0 321.468 3.586 20 30 DHEDRP CCCCCCCCC[C@H](CCC)[NH+]1CCN(CC[NH3+])CC1 ZINC001173285357 1033677441 /nfs/dbraw/zinc/67/74/41/1033677441.db2.gz SQYNGIKLYIIHOC-IBGZPJMESA-N 2 0 311.558 3.872 20 30 DHEDRP N#CCC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173334288 1033691366 /nfs/dbraw/zinc/69/13/66/1033691366.db2.gz PKPIIROCGUENDT-UHFFFAOYSA-N 2 0 303.494 3.703 20 30 DHEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785643 /nfs/dbraw/zinc/78/56/43/1033785643.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 2 0 303.494 3.798 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000176944798 1034122746 /nfs/dbraw/zinc/12/27/46/1034122746.db2.gz NIJCWBFWDZNTSI-UHFFFAOYSA-N 2 0 311.454 3.505 20 30 DHEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001178249089 1035416535 /nfs/dbraw/zinc/41/65/35/1035416535.db2.gz HULCOZPEPJPDAE-LJQANCHMSA-N 2 0 316.489 3.709 20 30 DHEDRP C=CCC(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178795186 1035448146 /nfs/dbraw/zinc/44/81/46/1035448146.db2.gz HXDXVJNUGCFWAQ-UHFFFAOYSA-N 2 0 316.489 3.853 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000668552338 1035980656 /nfs/dbraw/zinc/98/06/56/1035980656.db2.gz JFZLGDUSSZMHFL-IEBWSBKVSA-N 2 0 320.521 3.744 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219325 1036338882 /nfs/dbraw/zinc/33/88/82/1036338882.db2.gz RPYKOEZJIVIXCF-UTKZUKDTSA-N 2 0 319.452 3.558 20 30 DHEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1C#N ZINC000443974442 1036958350 /nfs/dbraw/zinc/95/83/50/1036958350.db2.gz UOPUKXVNOCMMMW-UHFFFAOYSA-N 2 0 321.468 3.997 20 30 DHEDRP C#C[C@@H]1CCCCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526327 1037046779 /nfs/dbraw/zinc/04/67/79/1037046779.db2.gz QJSXJOWGVYGVIB-JOCHJYFZSA-N 2 0 324.512 3.819 20 30 DHEDRP CCCCCCC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001201761957 1037883912 /nfs/dbraw/zinc/88/39/12/1037883912.db2.gz XIXHQPRZBNGQOE-UHFFFAOYSA-N 2 0 310.526 3.781 20 30 DHEDRP C=CCN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502879 1038596104 /nfs/dbraw/zinc/59/61/04/1038596104.db2.gz XNOJAVKGUFEQHC-MRXNPFEDSA-N 2 0 308.853 3.737 20 30 DHEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062426552 1039773223 /nfs/dbraw/zinc/77/32/23/1039773223.db2.gz RUKJDEZYYRRPDF-OAQYLSRUSA-N 2 0 319.452 3.560 20 30 DHEDRP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496336 1039799800 /nfs/dbraw/zinc/79/98/00/1039799800.db2.gz KFFSODGIDNRWMF-UHFFFAOYSA-N 2 0 313.489 3.842 20 30 DHEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497448 1039801440 /nfs/dbraw/zinc/80/14/40/1039801440.db2.gz BHGZPTDFMRPLNM-UHFFFAOYSA-N 2 0 313.489 3.699 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094810 1040305971 /nfs/dbraw/zinc/30/59/71/1040305971.db2.gz MKTGHHSEIMJKLS-NQIIRXRSSA-N 2 0 323.484 3.647 20 30 DHEDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094357 1040306528 /nfs/dbraw/zinc/30/65/28/1040306528.db2.gz LCNBEHRMFCGDPZ-ICSRJNTNSA-N 2 0 311.473 3.721 20 30 DHEDRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992296 1040628263 /nfs/dbraw/zinc/62/82/63/1040628263.db2.gz VWRLLJBVUICQCR-UHFFFAOYSA-N 2 0 311.473 3.548 20 30 DHEDRP CC[N@H+](C[C@H](C)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479958 1041053783 /nfs/dbraw/zinc/05/37/83/1041053783.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 2 0 313.489 3.770 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000602515273 1041063660 /nfs/dbraw/zinc/06/36/60/1041063660.db2.gz PIYZUKLSEVTLKG-QZTJIDSGSA-N 2 0 313.489 3.948 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](CC2(CC#N)CC2)CC1)CC(C)C ZINC000602796564 1041218335 /nfs/dbraw/zinc/21/83/35/1041218335.db2.gz BTZBFYLNPSOJDX-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442708812 335035344 /nfs/dbraw/zinc/03/53/44/335035344.db2.gz LPOWHLLZNFPLJF-MBOZVWFJSA-N 2 0 311.473 3.700 20 30 DHEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC(C)(C)CCC#N ZINC000363877004 333188196 /nfs/dbraw/zinc/18/81/96/333188196.db2.gz UGTILFYRFFKHPO-UHFFFAOYSA-N 2 0 314.477 3.560 20 30 DHEDRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000184513788 333197758 /nfs/dbraw/zinc/19/77/58/333197758.db2.gz IQCCVPKIUPSNQU-DLBZAZTESA-N 2 0 315.461 3.504 20 30 DHEDRP C[C@H](CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513805 333197844 /nfs/dbraw/zinc/19/78/44/333197844.db2.gz IQCCVPKIUPSNQU-IAGOWNOFSA-N 2 0 315.461 3.504 20 30 DHEDRP CC(C)(C#N)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285471439 334148091 /nfs/dbraw/zinc/14/80/91/334148091.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 2 0 311.473 3.524 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414989889 334229933 /nfs/dbraw/zinc/22/99/33/334229933.db2.gz HTESYXVICBUZMB-ZFWWWQNUSA-N 2 0 308.853 3.512 20 30 DHEDRP C=C(C)CN(CCC[NH+]1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352921766 336377213 /nfs/dbraw/zinc/37/72/13/336377213.db2.gz LLSYQWYREHGLBV-UHFFFAOYSA-N 2 0 318.509 3.718 20 30 DHEDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358566993 336634926 /nfs/dbraw/zinc/63/49/26/336634926.db2.gz IQAVHEXAVFHGCF-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000185866245 337252003 /nfs/dbraw/zinc/25/20/03/337252003.db2.gz HFTBSUVCAVKFNT-RRENTHDGSA-N 2 0 303.494 3.701 20 30 DHEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422904552 337690551 /nfs/dbraw/zinc/69/05/51/337690551.db2.gz GXZKXVPRTMUQPK-IPMKNSEASA-N 2 0 314.473 3.652 20 30 DHEDRP CC(C)(CCC#N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769376 337921198 /nfs/dbraw/zinc/92/11/98/337921198.db2.gz XLUMAOJHXUGSSK-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP C=CCCC[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075599 340073782 /nfs/dbraw/zinc/07/37/82/340073782.db2.gz KBZFIDCKOCYZJS-QGZVFWFLSA-N 2 0 301.478 3.975 20 30 DHEDRP C=CCCC[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047331 340184174 /nfs/dbraw/zinc/18/41/74/340184174.db2.gz KCXHMMSBWAIJRD-GOSISDBHSA-N 2 0 308.510 3.556 20 30 DHEDRP CC(C)[NH+](CCCN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512667449 340372040 /nfs/dbraw/zinc/37/20/40/340372040.db2.gz POUPJGDGFNQNFD-HNNXBMFYSA-N 2 0 305.441 3.857 20 30 DHEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000248401917 341376621 /nfs/dbraw/zinc/37/66/21/341376621.db2.gz MJHMJZXQVUUCMM-BXWFABGCSA-N 2 0 311.473 3.862 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC1 ZINC000131084498 520996194 /nfs/dbraw/zinc/99/61/94/520996194.db2.gz WFTXWRZFSDORFF-UHFFFAOYSA-N 2 0 311.473 3.691 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181755641 525442518 /nfs/dbraw/zinc/44/25/18/525442518.db2.gz DTZSKDUYFUKZMS-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177682217 1013962958 /nfs/dbraw/zinc/96/29/58/1013962958.db2.gz PQLJHISRGBPOBW-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP C#CCCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183045187 1014357069 /nfs/dbraw/zinc/35/70/69/1014357069.db2.gz NREOCMBVYAFHGD-QGZVFWFLSA-N 2 0 314.473 3.745 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442721142 1014723663 /nfs/dbraw/zinc/72/36/63/1014723663.db2.gz UUPXUWHDQBHPST-AHRSYUTCSA-N 2 0 311.473 3.700 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442721150 1014724520 /nfs/dbraw/zinc/72/45/20/1014724520.db2.gz UUPXUWHDQBHPST-UXPWSPDFSA-N 2 0 311.473 3.700 20 30 DHEDRP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000255448184 1016185318 /nfs/dbraw/zinc/18/53/18/1016185318.db2.gz IHULKOBVKBISNE-FATULCLFSA-N 2 0 317.477 3.530 20 30 DHEDRP C=CCSCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679418 1032701143 /nfs/dbraw/zinc/70/11/43/1032701143.db2.gz DCNZIKFGUHUWCR-FHWLQOOXSA-N 2 0 316.514 3.548 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925367866 1017750931 /nfs/dbraw/zinc/75/09/31/1017750931.db2.gz NEIDXBKFMDPDES-MRXNPFEDSA-N 2 0 323.440 3.501 20 30 DHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000658168553 1018201077 /nfs/dbraw/zinc/20/10/77/1018201077.db2.gz XOFGLSDPDOIMRF-FQEVSTJZSA-N 2 0 313.489 3.628 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261141 1019074976 /nfs/dbraw/zinc/07/49/76/1019074976.db2.gz UVRYOVHXJYYJKM-QGZVFWFLSA-N 2 0 313.489 3.651 20 30 DHEDRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390745 1019466570 /nfs/dbraw/zinc/46/65/70/1019466570.db2.gz RPBQCHULZGIWLH-HXUWFJFHSA-N 2 0 311.473 3.646 20 30 DHEDRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393557 1019468747 /nfs/dbraw/zinc/46/87/47/1019468747.db2.gz WUWABRPVDHMLGU-RBUKOAKNSA-N 2 0 313.489 3.892 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390342 1019473857 /nfs/dbraw/zinc/47/38/57/1019473857.db2.gz UCOCKBLTLKZDTG-UZLBHIALSA-N 2 0 311.473 3.790 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390339 1019474716 /nfs/dbraw/zinc/47/47/16/1019474716.db2.gz UCOCKBLTLKZDTG-JXFKEZNVSA-N 2 0 311.473 3.790 20 30 DHEDRP N#CCCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291389745 1020830945 /nfs/dbraw/zinc/83/09/45/1020830945.db2.gz CIZTWLOXXCJNOJ-UHFFFAOYSA-N 2 0 311.473 3.668 20 30 DHEDRP CCCCCCCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000740878215 1020960877 /nfs/dbraw/zinc/96/08/77/1020960877.db2.gz UORDOZWLMUAGCY-HXUWFJFHSA-N 2 0 323.569 3.839 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174250255 1020963665 /nfs/dbraw/zinc/96/36/65/1020963665.db2.gz JBZPYTHJLTYDPJ-UHFFFAOYSA-N 2 0 301.478 3.948 20 30 DHEDRP C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174881632 1021007335 /nfs/dbraw/zinc/00/73/35/1021007335.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 2 0 313.489 3.770 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483819 1021559678 /nfs/dbraw/zinc/55/96/78/1021559678.db2.gz VEGIPJLULTVZPH-SFHVURJKSA-N 2 0 322.537 3.992 20 30 DHEDRP C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728033 1022448118 /nfs/dbraw/zinc/44/81/18/1022448118.db2.gz FRZYTGHPCCJKPM-SUMWQHHRSA-N 2 0 314.408 3.659 20 30 DHEDRP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000859214095 1033099788 /nfs/dbraw/zinc/09/97/88/1033099788.db2.gz VPXKELQDWOKRLQ-UHFFFAOYSA-N 2 0 307.441 3.560 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000695865960 1023036361 /nfs/dbraw/zinc/03/63/61/1023036361.db2.gz VYGQEWQEKJGIMD-XLIONFOSSA-N 2 0 313.489 3.817 20 30 DHEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251402 1024033025 /nfs/dbraw/zinc/03/30/25/1024033025.db2.gz BNZHHBMFRMPZHW-UHFFFAOYSA-N 2 0 322.452 3.529 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000066990808 1024242478 /nfs/dbraw/zinc/24/24/78/1024242478.db2.gz RIQKCBPRXQVDSN-MRXNPFEDSA-N 2 0 322.880 3.725 20 30 DHEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000883194759 1024281870 /nfs/dbraw/zinc/28/18/70/1024281870.db2.gz CFEKRAWNBUDPHS-PMACEKPBSA-N 2 0 320.521 3.887 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453106325 1024332932 /nfs/dbraw/zinc/33/29/32/1024332932.db2.gz IQUXIXKJWDCGKQ-ZCNNSNEGSA-N 2 0 311.473 3.713 20 30 DHEDRP CSc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773709 1024352588 /nfs/dbraw/zinc/35/25/88/1024352588.db2.gz OKRCQVMHHXVWCW-IRXDYDNUSA-N 2 0 309.438 3.515 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492282 1033223468 /nfs/dbraw/zinc/22/34/68/1033223468.db2.gz LXPOTBNGTZKZHM-NSISKUIASA-N 2 0 324.472 3.713 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488215 1033221551 /nfs/dbraw/zinc/22/15/51/1033221551.db2.gz RIOFTQPEUZZZBX-SNRMKQJTSA-N 2 0 317.452 3.980 20 30 DHEDRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361852 1024752342 /nfs/dbraw/zinc/75/23/42/1024752342.db2.gz IDYWARFQCIGWTK-UHFFFAOYSA-N 2 0 311.473 3.592 20 30 DHEDRP CCCCCCC[C@H](CCC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172511070 1033237962 /nfs/dbraw/zinc/23/79/62/1033237962.db2.gz MIKDRBVGNZAVIW-IBGZPJMESA-N 2 0 311.558 3.695 20 30 DHEDRP N#Cc1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121827968 1024794596 /nfs/dbraw/zinc/79/45/96/1024794596.db2.gz HAGMQDJGHMTZMC-UHFFFAOYSA-N 2 0 311.473 3.646 20 30 DHEDRP CCCCCCCC[C@H](CC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172504560 1033235163 /nfs/dbraw/zinc/23/51/63/1033235163.db2.gz GIYLAHBMBUAUFY-IBGZPJMESA-N 2 0 311.558 3.872 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126389514 1033266146 /nfs/dbraw/zinc/26/61/46/1033266146.db2.gz VSUPSVHITULYID-HNNXBMFYSA-N 2 0 322.880 3.810 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126389748 1033266934 /nfs/dbraw/zinc/26/69/34/1033266934.db2.gz VSUPSVHITULYID-OAHLLOKOSA-N 2 0 322.880 3.810 20 30 DHEDRP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000178703995 1025854454 /nfs/dbraw/zinc/85/44/54/1025854454.db2.gz IHULKOBVKBISNE-KPAXAXFTSA-N 2 0 317.477 3.530 20 30 DHEDRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498925 1026527527 /nfs/dbraw/zinc/52/75/27/1026527527.db2.gz CRDFUNNXWOWTEY-WMZOPIPTSA-N 2 0 323.440 3.542 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000809602815 1026573232 /nfs/dbraw/zinc/57/32/32/1026573232.db2.gz AJTVSPOPHLLPFC-UHFFFAOYSA-N 2 0 306.453 3.800 20 30 DHEDRP C=CCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004890 1027391989 /nfs/dbraw/zinc/39/19/89/1027391989.db2.gz QENFONUPCLUZRQ-BLLLJJGKSA-N 2 0 312.379 3.910 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000813878181 1027747208 /nfs/dbraw/zinc/74/72/08/1027747208.db2.gz LEOHQYGGINFWQI-UKRRQHHQSA-N 2 0 310.869 3.666 20 30 DHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000367900270 1028257167 /nfs/dbraw/zinc/25/71/67/1028257167.db2.gz JBYPOVDYJPHERD-FUHWJXTLSA-N 2 0 305.510 3.949 20 30 DHEDRP CC1(C#N)CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000449066616 1028328537 /nfs/dbraw/zinc/32/85/37/1028328537.db2.gz DHENZKSKIKLYDC-UHFFFAOYSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449445028 1028647818 /nfs/dbraw/zinc/64/78/18/1028647818.db2.gz GMKPQYKHHXIAMC-CAMMJAKZSA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449445031 1028648067 /nfs/dbraw/zinc/64/80/67/1028648067.db2.gz GMKPQYKHHXIAMC-KCITZHQASA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@H](CCC#N)N1CCC[C@@]2(CCC[N@@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204181 /nfs/dbraw/zinc/20/41/81/1029204181.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 2 0 316.493 3.549 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817919205 1029277013 /nfs/dbraw/zinc/27/70/13/1029277013.db2.gz QUIBPQZCHVGVKL-XKGZKEIXSA-N 2 0 314.473 3.967 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817948045 1029291714 /nfs/dbraw/zinc/29/17/14/1029291714.db2.gz SUHDYOOLVSQAQL-UXLLHSPISA-N 2 0 322.880 3.857 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000817983891 1029320210 /nfs/dbraw/zinc/32/02/10/1029320210.db2.gz KXNIDRVPIVDGLJ-HNNXBMFYSA-N 2 0 320.864 3.778 20 30 DHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001246188079 1030047268 /nfs/dbraw/zinc/04/72/68/1030047268.db2.gz QTYHBKMINRSVOF-SFHVURJKSA-N 2 0 312.542 3.856 20 30 DHEDRP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925926538 1030549281 /nfs/dbraw/zinc/54/92/81/1030549281.db2.gz QOMNYJIPQKSZSA-INIZCTEOSA-N 2 0 319.452 3.960 20 30 DHEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655540 1031505578 /nfs/dbraw/zinc/50/55/78/1031505578.db2.gz DGNLRGLIZGDTNM-FQEVSTJZSA-N 2 0 311.473 3.788 20 30 DHEDRP [NH2+]=C(Nc1cc[nH+]c(C2CC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171182350 1031591439 /nfs/dbraw/zinc/59/14/39/1031591439.db2.gz JWWDKVYFXMRITG-UHFFFAOYSA-N 2 0 303.365 3.855 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001171183331 1031594962 /nfs/dbraw/zinc/59/49/62/1031594962.db2.gz DOZBUISKFBDIGY-ZTNFWEORSA-N 2 0 313.489 3.623 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171201364 1031771902 /nfs/dbraw/zinc/77/19/02/1031771902.db2.gz LEIYTOHURXCWFW-NSISKUIASA-N 2 0 313.489 3.732 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877697274 1033411738 /nfs/dbraw/zinc/41/17/38/1033411738.db2.gz JYILVVQEGGRMSJ-GOSISDBHSA-N 2 0 313.489 3.818 20 30 DHEDRP C=CCOC1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001173320009 1033716805 /nfs/dbraw/zinc/71/68/05/1033716805.db2.gz DRZKEPDZTQBTBE-UHFFFAOYSA-N 2 0 308.510 3.552 20 30 DHEDRP C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881523 /nfs/dbraw/zinc/88/15/23/1035881523.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 2 0 302.462 3.556 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940593 1036714300 /nfs/dbraw/zinc/71/43/00/1036714300.db2.gz OORKSGDQNQMHOW-JKSUJKDBSA-N 2 0 317.452 3.860 20 30 DHEDRP C#C[C@H]1CCCCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526328 1037048855 /nfs/dbraw/zinc/04/88/55/1037048855.db2.gz QJSXJOWGVYGVIB-QFIPXVFZSA-N 2 0 324.512 3.819 20 30 DHEDRP C#Cc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001200942140 1037483529 /nfs/dbraw/zinc/48/35/29/1037483529.db2.gz NMDGYJHPMBXKFA-SFHVURJKSA-N 2 0 306.453 3.668 20 30 DHEDRP CCCCCCCCCCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201631271 1037802069 /nfs/dbraw/zinc/80/20/69/1037802069.db2.gz NQHGQCPRMLNVAG-UHFFFAOYSA-N 2 0 311.558 3.696 20 30 DHEDRP C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775393869 1038333578 /nfs/dbraw/zinc/33/35/78/1038333578.db2.gz BSAGHQSYJWGYMU-JKSUJKDBSA-N 2 0 302.462 3.906 20 30 DHEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775393859 1038336020 /nfs/dbraw/zinc/33/60/20/1038336020.db2.gz BSAGHQSYJWGYMU-CVEARBPZSA-N 2 0 302.462 3.906 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000591573412 1038937349 /nfs/dbraw/zinc/93/73/49/1038937349.db2.gz UKKXBHMARVZFIK-BPQIPLTHSA-N 2 0 317.864 3.612 20 30 DHEDRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513291 1039816049 /nfs/dbraw/zinc/81/60/49/1039816049.db2.gz MUSBSOMRNRRTCC-GOSISDBHSA-N 2 0 315.505 3.944 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000602511576 1041080379 /nfs/dbraw/zinc/08/03/79/1041080379.db2.gz OWFQOSLAWMDNPA-GOSISDBHSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665893 1041149852 /nfs/dbraw/zinc/14/98/52/1041149852.db2.gz DLLBEEAFDRREDA-UYAOXDASSA-N 2 0 313.489 3.818 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602789666 1041208955 /nfs/dbraw/zinc/20/89/55/1041208955.db2.gz YALMDPWPGUZAHN-KRWDZBQOSA-N 2 0 303.494 3.657 20 30 DHEDRP N#CCC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602797282 1041222498 /nfs/dbraw/zinc/22/24/98/1041222498.db2.gz IQJNEKMJKMXXNC-UHFFFAOYSA-N 2 0 323.484 3.668 20 30 DHEDRP C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000286215194 335030418 /nfs/dbraw/zinc/03/04/18/335030418.db2.gz SEYKLKKXODLGPQ-KRWDZBQOSA-N 2 0 306.425 3.613 20 30 DHEDRP CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000340592540 132046151 /nfs/dbraw/zinc/04/61/51/132046151.db2.gz AEEYQNQMYLHAHL-UHFFFAOYSA-N 2 0 307.441 3.642 20 30 DHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449486405 332288451 /nfs/dbraw/zinc/28/84/51/332288451.db2.gz SABFKTUMZUEKQW-KRWDZBQOSA-N 2 0 300.490 3.884 20 30 DHEDRP C=C(C)COCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000560545362 332356693 /nfs/dbraw/zinc/35/66/93/332356693.db2.gz LIDHQTOJXUJBBF-UHFFFAOYSA-N 2 0 316.489 3.612 20 30 DHEDRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763532 333172045 /nfs/dbraw/zinc/17/20/45/333172045.db2.gz YEHDRVXLEFXEHA-YJBOKZPZSA-N 2 0 317.477 3.606 20 30 DHEDRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763548 333172074 /nfs/dbraw/zinc/17/20/74/333172074.db2.gz YEHDRVXLEFXEHA-QAPCUYQASA-N 2 0 317.477 3.606 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192940 /nfs/dbraw/zinc/19/29/40/334192940.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 2 0 323.484 3.665 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000294955450 334214776 /nfs/dbraw/zinc/21/47/76/334214776.db2.gz DLPCKWGKPXSEKR-JOZSIVFUSA-N 2 0 323.484 3.569 20 30 DHEDRP C[N@H+](CCC(C)(C)C#N)[C@@H]1CCC[NH+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346431 /nfs/dbraw/zinc/34/64/31/335346431.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 2 0 318.509 3.652 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000532621484 336257066 /nfs/dbraw/zinc/25/70/66/336257066.db2.gz WISVPVANWULLPQ-UHFFFAOYSA-N 2 0 318.892 3.744 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397471 337715357 /nfs/dbraw/zinc/71/53/57/337715357.db2.gz SYFGDLXLOUPFTA-NRFANRHFSA-N 2 0 317.436 3.719 20 30 DHEDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522671 337724548 /nfs/dbraw/zinc/72/45/48/337724548.db2.gz VEBDETHBIUXVTO-LIRRHRJNSA-N 2 0 311.404 3.828 20 30 DHEDRP C=CCCC[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536995497 337860438 /nfs/dbraw/zinc/86/04/38/337860438.db2.gz NUSJBBYEABJPOV-RCCFBDPRSA-N 2 0 308.510 3.552 20 30 DHEDRP CC(C)[NH+]1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439454425 338370024 /nfs/dbraw/zinc/37/00/24/338370024.db2.gz RQBCXUHSJKBVHC-UHFFFAOYSA-N 2 0 305.853 3.516 20 30 DHEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778084 338430498 /nfs/dbraw/zinc/43/04/98/338430498.db2.gz FLVFCJJUJGBFFN-PMACEKPBSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445956 338624760 /nfs/dbraw/zinc/62/47/60/338624760.db2.gz MVPJJHXFLUOEDH-PBWTXFEYSA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459660043 339041272 /nfs/dbraw/zinc/04/12/72/339041272.db2.gz AQLRVBJCADWKOB-KRWDZBQOSA-N 2 0 313.489 3.611 20 30 DHEDRP C=CCOc1ccccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000539850305 340906058 /nfs/dbraw/zinc/90/60/58/340906058.db2.gz LRTSURZAVZTOAQ-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000543870712 341062175 /nfs/dbraw/zinc/06/21/75/341062175.db2.gz JVTZDIBYYIFSOQ-UHFFFAOYSA-N 2 0 313.489 3.892 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271887555 341625211 /nfs/dbraw/zinc/62/52/11/341625211.db2.gz RDUAFJIRBZWCCJ-DLBZAZTESA-N 2 0 317.477 3.750 20 30 DHEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442648922 1014711955 /nfs/dbraw/zinc/71/19/55/1014711955.db2.gz MKSSBCDDVSVRMO-WOJBJXKFSA-N 2 0 311.473 3.700 20 30 DHEDRP C[C@H]1CC([NH2+]CC(C)(C)S)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019712 1014954370 /nfs/dbraw/zinc/95/43/70/1014954370.db2.gz JMZXJZSLVJKDIB-GJZGRUSLSA-N 2 0 306.519 3.726 20 30 DHEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144818 1016847383 /nfs/dbraw/zinc/84/73/83/1016847383.db2.gz APNBEYQGEOKQJD-UHFFFAOYSA-N 2 0 323.484 3.789 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924980295 1012271635 /nfs/dbraw/zinc/27/16/35/1012271635.db2.gz PVICRZNYYSXTQS-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000764635459 1018337714 /nfs/dbraw/zinc/33/77/14/1018337714.db2.gz MXOTYNBSBXTLNY-OAHLLOKOSA-N 2 0 314.473 3.658 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083178 1018931388 /nfs/dbraw/zinc/93/13/88/1018931388.db2.gz FWUZRVQYJZFTGT-QINHECLXSA-N 2 0 311.473 3.503 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075265 /nfs/dbraw/zinc/07/52/65/1019075265.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 2 0 313.489 3.650 20 30 DHEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000922846088 1020305829 /nfs/dbraw/zinc/30/58/29/1020305829.db2.gz KQCQXGGABKSSCR-UHFFFAOYSA-N 2 0 323.484 3.738 20 30 DHEDRP CCCCCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000740876568 1020958680 /nfs/dbraw/zinc/95/86/80/1020958680.db2.gz UIBFQDQFSOXUFG-BGYRXZFFSA-N 2 0 323.569 3.837 20 30 DHEDRP CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414175305 1020962809 /nfs/dbraw/zinc/96/28/09/1020962809.db2.gz YZMCZMQGDOZUDM-LDLYASANSA-N 2 0 311.473 3.711 20 30 DHEDRP C=C(C)C[N@@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000159002492 1022682098 /nfs/dbraw/zinc/68/20/98/1022682098.db2.gz PSQYEPVWZKIZBR-UHFFFAOYSA-N 2 0 315.505 3.615 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000695775973 1022813981 /nfs/dbraw/zinc/81/39/81/1022813981.db2.gz BRVXMWAAWYUUDR-QGZVFWFLSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000695775972 1022814806 /nfs/dbraw/zinc/81/48/06/1022814806.db2.gz BRVXMWAAWYUUDR-KRWDZBQOSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121532 1024179893 /nfs/dbraw/zinc/17/98/93/1024179893.db2.gz MWXFNPDDBDLARJ-KNTRFNDTSA-N 2 0 311.473 3.819 20 30 DHEDRP C=CCC[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883227479 1024303029 /nfs/dbraw/zinc/30/30/29/1024303029.db2.gz RMOXADFXRWDMIR-MVCQKVDPSA-N 2 0 314.473 3.615 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490844 1033223842 /nfs/dbraw/zinc/22/38/42/1033223842.db2.gz AZDUCDRQFBJZIL-SNRMKQJTSA-N 2 0 317.452 3.980 20 30 DHEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499492 1033229696 /nfs/dbraw/zinc/22/96/96/1033229696.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 2 0 311.473 3.667 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681683 1025196570 /nfs/dbraw/zinc/19/65/70/1025196570.db2.gz WTGWCYHZGGACMH-UQASEVPWSA-N 2 0 323.484 3.788 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886650374 1025763272 /nfs/dbraw/zinc/76/32/72/1025763272.db2.gz VHMQERGFQNNYAW-YOESJJQFSA-N 2 0 322.496 3.821 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808550 /nfs/dbraw/zinc/80/85/50/1025808550.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 2 0 313.489 3.650 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809650 /nfs/dbraw/zinc/80/96/50/1025809650.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 2 0 313.489 3.650 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093844536 1026129774 /nfs/dbraw/zinc/12/97/74/1026129774.db2.gz CCIXYWNCOWRNJC-MRXNPFEDSA-N 2 0 315.461 3.628 20 30 DHEDRP CCCC[N@H+](C)C[C@H](C)/[NH+]=C/c1ccc(N(CC)CC)cc1O ZINC000809144002 1026461474 /nfs/dbraw/zinc/46/14/74/1026461474.db2.gz ACDFVBBHMGAKHZ-RZKQZQCBSA-N 2 0 319.493 3.778 20 30 DHEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809610792 1026562526 /nfs/dbraw/zinc/56/25/26/1026562526.db2.gz DYESSMCUBAUSEY-QFIPXVFZSA-N 2 0 318.464 3.670 20 30 DHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421336940 1026961274 /nfs/dbraw/zinc/96/12/74/1026961274.db2.gz XPORJNZVWGBHNH-IYBDPMFKSA-N 2 0 317.452 3.545 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422997903 1027387132 /nfs/dbraw/zinc/38/71/32/1027387132.db2.gz PCTVNZFNYVQWAT-HNAYVOBHSA-N 2 0 308.429 3.544 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000368649701 1028387298 /nfs/dbraw/zinc/38/72/98/1028387298.db2.gz HYOFVDQLPHHATE-MDNKFWRPSA-N 2 0 311.473 3.569 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018902 1029188161 /nfs/dbraw/zinc/18/81/61/1029188161.db2.gz QAMFEMIYOPYMCB-SLFFLAALSA-N 2 0 323.484 3.571 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817919200 1029274703 /nfs/dbraw/zinc/27/47/03/1029274703.db2.gz QUIBPQZCHVGVKL-ILZDJORESA-N 2 0 314.473 3.967 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817919202 1029277081 /nfs/dbraw/zinc/27/70/81/1029277081.db2.gz QUIBPQZCHVGVKL-QRFRQXIXSA-N 2 0 314.473 3.967 20 30 DHEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCC(C)(C)C#N)CC2)C1CC1 ZINC000374309438 1029283657 /nfs/dbraw/zinc/28/36/57/1029283657.db2.gz JFJZNLHGLOALLR-INIZCTEOSA-N 2 0 303.494 3.513 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000817982229 1029320111 /nfs/dbraw/zinc/32/01/11/1029320111.db2.gz PQIIOWVFNDNLQB-OFQRWUPVSA-N 2 0 308.853 3.596 20 30 DHEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000865764613 1030012706 /nfs/dbraw/zinc/01/27/06/1030012706.db2.gz HZYDWBWJCOSPKO-UHFFFAOYSA-N 2 0 311.473 3.594 20 30 DHEDRP C[NH+]1CCC(C[NH2+]CC(C)(C)CCC#N)(c2ccccc2)CC1 ZINC000865774628 1030015954 /nfs/dbraw/zinc/01/59/54/1030015954.db2.gz YUXPYBBGTBTMEI-UHFFFAOYSA-N 2 0 313.489 3.570 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872139998 1031533919 /nfs/dbraw/zinc/53/39/19/1031533919.db2.gz VAVCAWGFYCUIAS-RMVXJAJNSA-N 2 0 310.485 3.679 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000360832064 1031578496 /nfs/dbraw/zinc/57/84/96/1031578496.db2.gz FVOIWBLXINEXIP-HXUWFJFHSA-N 2 0 311.473 3.791 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186885 1031603598 /nfs/dbraw/zinc/60/35/98/1031603598.db2.gz ZUSIQJUXXFWBFP-DLBZAZTESA-N 2 0 301.478 3.589 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001171193830 1031654435 /nfs/dbraw/zinc/65/44/35/1031654435.db2.gz CVVLKFWNTACARM-MRXNPFEDSA-N 2 0 313.489 3.589 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171201362 1031768831 /nfs/dbraw/zinc/76/88/31/1031768831.db2.gz LEIYTOHURXCWFW-AHRSYUTCSA-N 2 0 313.489 3.732 20 30 DHEDRP N#CCC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173338281 1033693612 /nfs/dbraw/zinc/69/36/12/1033693612.db2.gz CQYQMMDGTAEAKK-ODKCFSPTSA-N 2 0 323.484 3.523 20 30 DHEDRP C[NH+]1CCC(C2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173338698 1033695236 /nfs/dbraw/zinc/69/52/36/1033695236.db2.gz HKUQEMZLPJIYLO-UHFFFAOYSA-N 2 0 303.494 3.513 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479559527 1033815371 /nfs/dbraw/zinc/81/53/71/1033815371.db2.gz OLPYYASDFIZEAW-UHFFFAOYSA-N 2 0 311.473 3.915 20 30 DHEDRP CCCCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000863539922 1034124014 /nfs/dbraw/zinc/12/40/14/1034124014.db2.gz NMZVXVORHSYSRL-HKUYNNGSSA-N 2 0 302.462 3.802 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000668552589 1035973709 /nfs/dbraw/zinc/97/37/09/1035973709.db2.gz PFNADVGTJAGREX-IEBWSBKVSA-N 2 0 320.521 3.744 20 30 DHEDRP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236930 1036530619 /nfs/dbraw/zinc/53/06/19/1036530619.db2.gz VRRAOXBYALIKFR-UTKZUKDTSA-N 2 0 319.452 3.558 20 30 DHEDRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275944 1036943804 /nfs/dbraw/zinc/94/38/04/1036943804.db2.gz CFGYTWCTMMQECB-APWZRJJASA-N 2 0 311.473 3.609 20 30 DHEDRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275946 1036944017 /nfs/dbraw/zinc/94/40/17/1036944017.db2.gz CFGYTWCTMMQECB-QFBILLFUSA-N 2 0 311.473 3.609 20 30 DHEDRP CCCCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001201762365 1037883235 /nfs/dbraw/zinc/88/32/35/1037883235.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 0 310.526 3.780 20 30 DHEDRP N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000045806659 1038891339 /nfs/dbraw/zinc/89/13/39/1038891339.db2.gz VWAKCWOVXOSEIZ-UHFFFAOYSA-N 2 0 311.473 3.646 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000591573418 1038937352 /nfs/dbraw/zinc/93/73/52/1038937352.db2.gz UKKXBHMARVZFIK-KBAYOESNSA-N 2 0 317.864 3.612 20 30 DHEDRP CC[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662104 1039249819 /nfs/dbraw/zinc/24/98/19/1039249819.db2.gz YTQVUUGHHKBMSP-UHFFFAOYSA-N 2 0 321.468 3.684 20 30 DHEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914810 1039922868 /nfs/dbraw/zinc/92/28/68/1039922868.db2.gz LPXUOSSWCXKQHF-UHFFFAOYSA-N 2 0 319.452 3.593 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158261672 1040184707 /nfs/dbraw/zinc/18/47/07/1040184707.db2.gz BUBUESLLAFXUQC-JKSUJKDBSA-N 2 0 322.880 3.810 20 30 DHEDRP CC[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649831 1040539311 /nfs/dbraw/zinc/53/93/11/1040539311.db2.gz MJTYGBNRXTWKSU-QHAWAJNXSA-N 2 0 319.452 3.745 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593322300 1040715152 /nfs/dbraw/zinc/71/51/52/1040715152.db2.gz MABPZGAPEOCCIG-HXUWFJFHSA-N 2 0 323.415 3.713 20 30 DHEDRP CC[N@H+](C[C@@H](C)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479956 1041051819 /nfs/dbraw/zinc/05/18/19/1041051819.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 2 0 313.489 3.770 20 30 DHEDRP CC[N@H+](C[C@@H](C)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479955 1041052942 /nfs/dbraw/zinc/05/29/42/1041052942.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 2 0 313.489 3.770 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000602545331 1041082507 /nfs/dbraw/zinc/08/25/07/1041082507.db2.gz PKRPFCRJDBZOEA-SFHVURJKSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602590061 1041106363 /nfs/dbraw/zinc/10/63/63/1041106363.db2.gz VSSVELDIJXUAGL-BXXUTWAOSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000559879206 332288963 /nfs/dbraw/zinc/28/89/63/332288963.db2.gz ZQWIHSSNCFQMSC-INIZCTEOSA-N 2 0 304.478 3.880 20 30 DHEDRP C=CCC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526971 332351456 /nfs/dbraw/zinc/35/14/56/332351456.db2.gz JPXQGRRXIHRPNU-KSZLIROESA-N 2 0 320.477 3.766 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309672971 333187074 /nfs/dbraw/zinc/18/70/74/333187074.db2.gz UOZPWFVKVOSDCC-LJQANCHMSA-N 2 0 313.489 3.818 20 30 DHEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309778939 333196524 /nfs/dbraw/zinc/19/65/24/333196524.db2.gz KDNITOXWBNAZMV-HKUYNNGSSA-N 2 0 313.489 3.817 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185797041 333214393 /nfs/dbraw/zinc/21/43/93/333214393.db2.gz QBDBPTXIYCFSSU-VQTJNVASSA-N 2 0 311.473 3.571 20 30 DHEDRP N#Cc1csc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016856 333243099 /nfs/dbraw/zinc/24/30/99/333243099.db2.gz MADKPQDAYTXNQF-INIZCTEOSA-N 2 0 317.502 3.708 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000057625726 333397072 /nfs/dbraw/zinc/39/70/72/333397072.db2.gz VNUMVQAHYOXXHY-UHFFFAOYSA-N 2 0 307.441 3.690 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797513 334101250 /nfs/dbraw/zinc/10/12/50/334101250.db2.gz QXPDQFVDIWSTKJ-MTFMMBMASA-N 2 0 311.473 3.569 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000296373613 334233162 /nfs/dbraw/zinc/23/31/62/334233162.db2.gz JHSJNEURTCZAPX-BWUHRYBWSA-N 2 0 323.484 3.854 20 30 DHEDRP N#CCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000297566339 334242381 /nfs/dbraw/zinc/24/23/81/334242381.db2.gz HLRORPLYWGWDAR-HXUWFJFHSA-N 2 0 320.440 3.685 20 30 DHEDRP C=CCN1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973138 334350902 /nfs/dbraw/zinc/35/09/02/334350902.db2.gz ARYVWQZZPQJEGC-GOSISDBHSA-N 2 0 304.865 3.957 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000532564576 336255623 /nfs/dbraw/zinc/25/56/23/336255623.db2.gz GDPVIPWQCFFMOP-UHFFFAOYSA-N 2 0 317.452 3.545 20 30 DHEDRP C[C@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000120175290 337395548 /nfs/dbraw/zinc/39/55/48/337395548.db2.gz TTYWVTJPYSXOLS-HKUYNNGSSA-N 2 0 313.489 3.817 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000436278596 338265316 /nfs/dbraw/zinc/26/53/16/338265316.db2.gz BACPGWCJWDWZGF-CUDHKJQZSA-N 2 0 320.521 3.600 20 30 DHEDRP C=CCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000472061036 339361661 /nfs/dbraw/zinc/36/16/61/339361661.db2.gz AQMFHJDOKSOVIB-UHFFFAOYSA-N 2 0 315.505 3.663 20 30 DHEDRP C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667903 340372067 /nfs/dbraw/zinc/37/20/67/340372067.db2.gz RUWOZVFDSFEMBP-CXAGYDPISA-N 2 0 305.441 3.714 20 30 DHEDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000249293967 341396114 /nfs/dbraw/zinc/39/61/14/341396114.db2.gz BONGQGORFJXYQB-DLBZAZTESA-N 2 0 315.461 3.504 20 30 DHEDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010181 521849856 /nfs/dbraw/zinc/84/98/56/521849856.db2.gz HFAFPBDOOBZKLU-SFHVURJKSA-N 2 0 319.452 3.609 20 30 DHEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000442790427 1014736164 /nfs/dbraw/zinc/73/61/64/1014736164.db2.gz GJDCIONIEOVHLE-PXNSSMCTSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000442833939 1014748119 /nfs/dbraw/zinc/74/81/19/1014748119.db2.gz VTOTZBGGHWJNHD-LMCOJAPRSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684929591 1016986864 /nfs/dbraw/zinc/98/68/64/1016986864.db2.gz GDHCUVBIDQOXHI-GOSISDBHSA-N 2 0 302.462 3.606 20 30 DHEDRP C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444674382 1017624465 /nfs/dbraw/zinc/62/44/65/1017624465.db2.gz PBZOBQYMTQEOAO-SJORKVTESA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925367865 1017751495 /nfs/dbraw/zinc/75/14/95/1017751495.db2.gz NEIDXBKFMDPDES-INIZCTEOSA-N 2 0 323.440 3.501 20 30 DHEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000825762375 1032784594 /nfs/dbraw/zinc/78/45/94/1032784594.db2.gz KKSASAALLIROFF-UHFFFAOYSA-N 2 0 323.484 3.550 20 30 DHEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765495066 1018815758 /nfs/dbraw/zinc/81/57/58/1018815758.db2.gz OVBJRMZRSRYMFP-UHFFFAOYSA-N 2 0 311.429 3.696 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998496 1032814528 /nfs/dbraw/zinc/81/45/28/1032814528.db2.gz XBBPQQJBACNADJ-OAHLLOKOSA-N 2 0 320.864 3.669 20 30 DHEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392574 1019466502 /nfs/dbraw/zinc/46/65/02/1019466502.db2.gz WMFOCVGGZBPXRN-HXUWFJFHSA-N 2 0 311.473 3.790 20 30 DHEDRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393555 1019468620 /nfs/dbraw/zinc/46/86/20/1019468620.db2.gz WUWABRPVDHMLGU-MOPGFXCFSA-N 2 0 313.489 3.892 20 30 DHEDRP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390371 1019475011 /nfs/dbraw/zinc/47/50/11/1019475011.db2.gz WNVJZPHCMRKLBN-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000011096025 1019750001 /nfs/dbraw/zinc/75/00/01/1019750001.db2.gz JSEQVAFCNHCYHU-UHFFFAOYSA-N 2 0 319.452 3.834 20 30 DHEDRP CCCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312365 1033077925 /nfs/dbraw/zinc/07/79/25/1033077925.db2.gz GHEVGXWVTQDWBW-KRWDZBQOSA-N 2 0 313.489 3.686 20 30 DHEDRP C[C@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121544 1024180307 /nfs/dbraw/zinc/18/03/07/1024180307.db2.gz NDOBCDZMEWTWDI-MVJPYGJCSA-N 2 0 311.473 3.819 20 30 DHEDRP C[NH+](C)CCC(C)(C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367562 1024755108 /nfs/dbraw/zinc/75/51/08/1024755108.db2.gz JZJHPECASYWQKP-UHFFFAOYSA-N 2 0 313.489 3.710 20 30 DHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793530299 1025110787 /nfs/dbraw/zinc/11/07/87/1025110787.db2.gz WTCIUWIXOUOCTR-GOSISDBHSA-N 2 0 321.553 3.660 20 30 DHEDRP C[C@H](CCC#N)N1CCCC2(CCC[N@@H+]([C@H](C)CCC#N)C2)C1 ZINC000411758793 1026093300 /nfs/dbraw/zinc/09/33/00/1026093300.db2.gz VJNKWVFBVBVHJO-PWCSWUJKSA-N 2 0 316.493 3.549 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422997902 1027385590 /nfs/dbraw/zinc/38/55/90/1027385590.db2.gz PCTVNZFNYVQWAT-DNVCBOLYSA-N 2 0 308.429 3.544 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000423181281 1027440618 /nfs/dbraw/zinc/44/06/18/1027440618.db2.gz OOXAYOCYUBFROD-UHFFFAOYSA-N 2 0 311.473 3.642 20 30 DHEDRP N#CCCNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000576149346 1027571947 /nfs/dbraw/zinc/57/19/47/1027571947.db2.gz UIQCEDPETHDMGF-UHFFFAOYSA-N 2 0 319.452 3.953 20 30 DHEDRP CC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1 ZINC000423528909 1027574968 /nfs/dbraw/zinc/57/49/68/1027574968.db2.gz PBOHIAFXWNCRQX-HEJMPPONSA-N 2 0 323.484 3.753 20 30 DHEDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522644 1027581565 /nfs/dbraw/zinc/58/15/65/1027581565.db2.gz VCKZHXSAGZVHJU-LIRRHRJNSA-N 2 0 311.404 3.828 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)CC(C)C ZINC000562763710 1027595522 /nfs/dbraw/zinc/59/55/22/1027595522.db2.gz OKPSUXQIIMXROQ-RBUKOAKNSA-N 2 0 305.510 3.759 20 30 DHEDRP C=CCC[C@@H](CC)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662618 1028632389 /nfs/dbraw/zinc/63/23/89/1028632389.db2.gz MYPUUYGYSINDMU-LJQANCHMSA-N 2 0 321.553 3.517 20 30 DHEDRP CCCCCCCCCC[C@@H](C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001257548732 1029146912 /nfs/dbraw/zinc/14/69/12/1029146912.db2.gz YKGKVZGLMCFVRD-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976014 1029314640 /nfs/dbraw/zinc/31/46/40/1029314640.db2.gz DMYVUZNPDSZQRU-WMLDXEAASA-N 2 0 320.864 3.611 20 30 DHEDRP N#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924942703 1030232227 /nfs/dbraw/zinc/23/22/27/1030232227.db2.gz PTMJWCHESGVYMU-IHWFROFDSA-N 2 0 311.473 3.856 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000866467431 1030310686 /nfs/dbraw/zinc/31/06/86/1030310686.db2.gz HTEAJLVKKTYSAW-HNNXBMFYSA-N 2 0 317.452 3.858 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000866516059 1030343020 /nfs/dbraw/zinc/34/30/20/1030343020.db2.gz MYKIWSLZMJVNQP-DMKPSLHHSA-N 2 0 315.461 3.502 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123631692 1031217563 /nfs/dbraw/zinc/21/75/63/1031217563.db2.gz VUFPTFVBLZIHDC-KRWDZBQOSA-N 2 0 322.452 3.611 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929507466 1031535523 /nfs/dbraw/zinc/53/55/23/1031535523.db2.gz XDUZDMYUNFMOGC-UHFFFAOYSA-N 2 0 305.510 3.903 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001171179917 1031563109 /nfs/dbraw/zinc/56/31/09/1031563109.db2.gz YWVOJKLZUIXBNX-DYESRHJHSA-N 2 0 321.468 3.772 20 30 DHEDRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564422 /nfs/dbraw/zinc/56/44/22/1031564422.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 2 0 311.473 3.551 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360828762 1031577622 /nfs/dbraw/zinc/57/76/22/1031577622.db2.gz AHSDZUYCNOEMOR-GGPKGHCWSA-N 2 0 309.457 3.542 20 30 DHEDRP CCCCCCCC[C@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173309634 1033663286 /nfs/dbraw/zinc/66/32/86/1033663286.db2.gz YLXWSNROZJZUSI-IBGZPJMESA-N 2 0 323.569 3.837 20 30 DHEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695129 /nfs/dbraw/zinc/69/51/29/1033695129.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 2 0 303.494 3.798 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940589 1036714864 /nfs/dbraw/zinc/71/48/64/1036714864.db2.gz OORKSGDQNQMHOW-HOTGVXAUSA-N 2 0 317.452 3.860 20 30 DHEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271984644 1036829540 /nfs/dbraw/zinc/82/95/40/1036829540.db2.gz ZXYPVLVDGZMUJL-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1C#N ZINC000443986627 1036977029 /nfs/dbraw/zinc/97/70/29/1036977029.db2.gz ZYAXXNOLJIPUJB-UHFFFAOYSA-N 2 0 321.468 3.997 20 30 DHEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573304 1038937294 /nfs/dbraw/zinc/93/72/94/1038937294.db2.gz IIOIBBDXODAKGB-BBRMVZONSA-N 2 0 305.853 3.612 20 30 DHEDRP CC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660930 1039260928 /nfs/dbraw/zinc/26/09/28/1039260928.db2.gz QKIWRICIELFBIJ-UHFFFAOYSA-N 2 0 321.468 3.836 20 30 DHEDRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404490 1039447083 /nfs/dbraw/zinc/44/70/83/1039447083.db2.gz YQPUPFCLRJEBQH-HBGVWJBISA-N 2 0 319.452 3.554 20 30 DHEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594508208 1039793004 /nfs/dbraw/zinc/79/30/04/1039793004.db2.gz SMCPFHXLEXPDPD-UHFFFAOYSA-N 2 0 301.478 3.698 20 30 DHEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271926066 129981331 /nfs/dbraw/zinc/98/13/31/129981331.db2.gz JCULMAZKTZPOKQ-INIZCTEOSA-N 2 0 317.452 3.860 20 30 DHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174268234 333084228 /nfs/dbraw/zinc/08/42/28/333084228.db2.gz AYSZKMYDOLOOSH-UHFFFAOYSA-N 2 0 301.478 3.946 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762127 333213519 /nfs/dbraw/zinc/21/35/19/333213519.db2.gz GUUQSFCUIYEOEJ-VQTJNVASSA-N 2 0 311.473 3.844 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185797082 333214420 /nfs/dbraw/zinc/21/44/20/333214420.db2.gz QBDBPTXIYCFSSU-WOJBJXKFSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797515 334101155 /nfs/dbraw/zinc/10/11/55/334101155.db2.gz QXPDQFVDIWSTKJ-OJAHFUOMSA-N 2 0 311.473 3.569 20 30 DHEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294955457 334214759 /nfs/dbraw/zinc/21/47/59/334214759.db2.gz DLPCKWGKPXSEKR-OFOKGCAXSA-N 2 0 323.484 3.569 20 30 DHEDRP N#CCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000297566336 334242293 /nfs/dbraw/zinc/24/22/93/334242293.db2.gz HLRORPLYWGWDAR-FQEVSTJZSA-N 2 0 320.440 3.685 20 30 DHEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342808767 334578839 /nfs/dbraw/zinc/57/88/39/334578839.db2.gz QGUIEAULTPBQNX-IRXDYDNUSA-N 2 0 316.489 3.850 20 30 DHEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000348244382 335566896 /nfs/dbraw/zinc/56/68/96/335566896.db2.gz NPTIEGFAZOPIJK-MRXNPFEDSA-N 2 0 317.477 3.608 20 30 DHEDRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919265 336197072 /nfs/dbraw/zinc/19/70/72/336197072.db2.gz PCEXGICGJPNMOD-QGZVFWFLSA-N 2 0 307.441 3.731 20 30 DHEDRP N#CCCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377195796 337048483 /nfs/dbraw/zinc/04/84/83/337048483.db2.gz GILCRLAXMGZAKS-UHFFFAOYSA-N 2 0 311.473 3.668 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397472 337715503 /nfs/dbraw/zinc/71/55/03/337715503.db2.gz SYFGDLXLOUPFTA-OAQYLSRUSA-N 2 0 317.436 3.719 20 30 DHEDRP N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437124 338369477 /nfs/dbraw/zinc/36/94/77/338369477.db2.gz ISRWXWVPQOSGEU-QGZVFWFLSA-N 2 0 317.864 3.662 20 30 DHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780723 1014729558 /nfs/dbraw/zinc/72/95/58/1014729558.db2.gz NITKIJIZNIZIEY-VQIMIIECSA-N 2 0 323.440 3.693 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318350 1014786318 /nfs/dbraw/zinc/78/63/18/1014786318.db2.gz YNQHMYIGVHPGGK-DYESRHJHSA-N 2 0 319.452 3.558 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000104158013 1016230233 /nfs/dbraw/zinc/23/02/33/1016230233.db2.gz AGEUUFLCCQNMKX-UHFFFAOYSA-N 2 0 324.472 3.764 20 30 DHEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449702132 1018542403 /nfs/dbraw/zinc/54/24/03/1018542403.db2.gz YGGSXJGUTZOWBO-KRWDZBQOSA-N 2 0 310.526 3.582 20 30 DHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994450 /nfs/dbraw/zinc/99/44/50/1018994450.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 2 0 305.491 3.504 20 30 DHEDRP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1C ZINC001171742232 1032878134 /nfs/dbraw/zinc/87/81/34/1032878134.db2.gz UOYRRALXFWAZBF-FXAWDEMLSA-N 2 0 321.468 3.672 20 30 DHEDRP CC1(C)C[C@H]([NH+]2CCC(S)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987796 1032970112 /nfs/dbraw/zinc/97/01/12/1032970112.db2.gz JVPWNXFLCGDIIN-QGZVFWFLSA-N 2 0 318.530 3.824 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117288 1033018536 /nfs/dbraw/zinc/01/85/36/1033018536.db2.gz KWLWQWQYQVRIMT-BWTSREIZSA-N 2 0 309.542 3.623 20 30 DHEDRP CC(C)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304131 1033075341 /nfs/dbraw/zinc/07/53/41/1033075341.db2.gz HOTSAFRIWJFAJJ-NSISKUIASA-N 2 0 313.489 3.717 20 30 DHEDRP CCCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172298694 1033104848 /nfs/dbraw/zinc/10/48/48/1033104848.db2.gz HCBYPNMNHFCATH-KRWDZBQOSA-N 2 0 313.489 3.591 20 30 DHEDRP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594511478 1023588353 /nfs/dbraw/zinc/58/83/53/1023588353.db2.gz NWDSHOYFGSZAGD-UHFFFAOYSA-N 2 0 301.478 3.555 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172481897 1033195964 /nfs/dbraw/zinc/19/59/64/1033195964.db2.gz ZDDCGTDNLCZVGW-FFGOWVMKSA-N 2 0 311.473 3.854 20 30 DHEDRP N#CC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000876993937 1033199945 /nfs/dbraw/zinc/19/99/45/1033199945.db2.gz XDIARVDOHZGDQF-UHFFFAOYSA-N 2 0 303.494 3.703 20 30 DHEDRP CCCCCCC[C@@H](CCC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172501194 1033231574 /nfs/dbraw/zinc/23/15/74/1033231574.db2.gz FRJFULKWJPBTGM-LJQANCHMSA-N 2 0 311.558 3.743 20 30 DHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793532107 1025109212 /nfs/dbraw/zinc/10/92/12/1025109212.db2.gz FMVLMPISWOXYFU-MSOLQXFVSA-N 2 0 308.510 3.602 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000886578346 1025717107 /nfs/dbraw/zinc/71/71/07/1025717107.db2.gz SPPQDIWEQGBLPR-UHFFFAOYSA-N 2 0 323.484 3.934 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924865550 1025789394 /nfs/dbraw/zinc/78/93/94/1025789394.db2.gz HPWGIDWBPXIKOH-OAHLLOKOSA-N 2 0 319.518 3.878 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578013900 1028018775 /nfs/dbraw/zinc/01/87/75/1028018775.db2.gz HTJFOZFXIXKVCW-HXUWFJFHSA-N 2 0 305.425 3.574 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000815647904 1028592567 /nfs/dbraw/zinc/59/25/67/1028592567.db2.gz XYSAUDNXOFZBMN-SFHVURJKSA-N 2 0 314.473 3.615 20 30 DHEDRP C=C(C)C[NH+](CC)Cc1cncc(C[N@H+](CC)CC(=C)C)c1 ZINC000566837165 1028789840 /nfs/dbraw/zinc/78/98/40/1028789840.db2.gz BSIFSDBXWPPNSA-UHFFFAOYSA-N 2 0 301.478 3.878 20 30 DHEDRP C[C@H](C#N)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399257 1029122236 /nfs/dbraw/zinc/12/22/36/1029122236.db2.gz FSKIUNKUVDSIRX-QGZVFWFLSA-N 2 0 311.473 3.797 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018903 1029189594 /nfs/dbraw/zinc/18/95/94/1029189594.db2.gz QAMFEMIYOPYMCB-VAMGGRTRSA-N 2 0 323.484 3.571 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966497 1029307368 /nfs/dbraw/zinc/30/73/68/1029307368.db2.gz PBQUAWHBULIMJV-MAUKXSAKSA-N 2 0 322.880 3.858 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817970757 1029312019 /nfs/dbraw/zinc/31/20/19/1029312019.db2.gz DLPJZUNYKWNPLC-YCPHGPKFSA-N 2 0 308.853 3.609 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000530953015 1030094261 /nfs/dbraw/zinc/09/42/61/1030094261.db2.gz UMVHFGSIYRQBKZ-NVXWUHKLSA-N 2 0 305.491 3.610 20 30 DHEDRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000866517105 1030342831 /nfs/dbraw/zinc/34/28/31/1030342831.db2.gz WNHUAWZKAIXYSL-SYYJFZTOSA-N 2 0 311.473 3.788 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607225 1030419193 /nfs/dbraw/zinc/41/91/93/1030419193.db2.gz AVUXODFHHPCXIJ-AOCRQIFASA-N 2 0 305.510 3.947 20 30 DHEDRP C=C1CCC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925836354 1030514834 /nfs/dbraw/zinc/51/48/34/1030514834.db2.gz ZWSGXGXIJFBOAI-ICSRJNTNSA-N 2 0 312.457 3.578 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246313239 1030518146 /nfs/dbraw/zinc/51/81/46/1030518146.db2.gz YDKKMNAWHKILLT-QZTJIDSGSA-N 2 0 311.558 3.774 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404365 1030743671 /nfs/dbraw/zinc/74/36/71/1030743671.db2.gz QCXCIBGJEMDRGT-HSALFYBXSA-N 2 0 311.473 3.571 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360828763 1031578644 /nfs/dbraw/zinc/57/86/44/1031578644.db2.gz AHSDZUYCNOEMOR-HBFSDRIKSA-N 2 0 309.457 3.542 20 30 DHEDRP C[NH+]1CCC(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838068 1031582164 /nfs/dbraw/zinc/58/21/64/1031582164.db2.gz ARCSRHJUDCOTRQ-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP N#CC1CCC(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000930079957 1031694012 /nfs/dbraw/zinc/69/40/12/1031694012.db2.gz RTDMMORBNAKQQZ-UHFFFAOYSA-N 2 0 317.521 3.904 20 30 DHEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(C)c(C)c2)CC1 ZINC001173111199 1033548080 /nfs/dbraw/zinc/54/80/80/1033548080.db2.gz ZJJAGVRDNJGTAD-UHFFFAOYSA-N 2 0 301.478 3.662 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173316357 1033710820 /nfs/dbraw/zinc/71/08/20/1033710820.db2.gz HQWJHPLNXURWHE-UHFFFAOYSA-N 2 0 320.521 3.887 20 30 DHEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573305 1038935791 /nfs/dbraw/zinc/93/57/91/1038935791.db2.gz IIOIBBDXODAKGB-CJNGLKHVSA-N 2 0 305.853 3.612 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094812 1040306849 /nfs/dbraw/zinc/30/68/49/1040306849.db2.gz MKTGHHSEIMJKLS-WIYYLYMNSA-N 2 0 323.484 3.647 20 30 DHEDRP N#CC1(c2ccc(CN3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013297 1040624523 /nfs/dbraw/zinc/62/45/23/1040624523.db2.gz HNTPODSLUYEROQ-FQEVSTJZSA-N 2 0 323.484 3.692 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000602594193 1041108829 /nfs/dbraw/zinc/10/88/29/1041108829.db2.gz UCOIZFREJFTWLB-SFHVURJKSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574980 1041110566 /nfs/dbraw/zinc/11/05/66/1041110566.db2.gz DCFFLJZJOYPFLT-HBFSDRIKSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574981 1041111601 /nfs/dbraw/zinc/11/16/01/1041111601.db2.gz DCFFLJZJOYPFLT-QWFCFKBJSA-N 2 0 313.489 3.817 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000057626445 184042499 /nfs/dbraw/zinc/04/24/99/184042499.db2.gz DVELCBHLKFDJIT-UHFFFAOYSA-N 2 0 307.441 3.690 20 30 DHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000276205124 334075150 /nfs/dbraw/zinc/07/51/50/334075150.db2.gz JWOXCQONDCRMOT-DZFIZOCASA-N 2 0 313.489 3.672 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598004 334199662 /nfs/dbraw/zinc/19/96/62/334199662.db2.gz OSZNQFMPRHGTHA-UXHICEINSA-N 2 0 323.484 3.667 20 30 DHEDRP C[C@@H](CCC#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298398222 334248089 /nfs/dbraw/zinc/24/80/89/334248089.db2.gz OOOVWLVKCLDFCX-SFHVURJKSA-N 2 0 311.473 3.667 20 30 DHEDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000192918866 336284330 /nfs/dbraw/zinc/28/43/30/336284330.db2.gz BONGQGORFJXYQB-SJORKVTESA-N 2 0 315.461 3.504 20 30 DHEDRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023318 336287110 /nfs/dbraw/zinc/28/71/10/336287110.db2.gz ULTBUXXHSMSGSP-MRXNPFEDSA-N 2 0 315.461 3.504 20 30 DHEDRP CC(C)c1cccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1 ZINC000262424739 337617509 /nfs/dbraw/zinc/61/75/09/337617509.db2.gz CHIGSTGNVXIFLI-UHFFFAOYSA-N 2 0 314.477 3.554 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416673 337716610 /nfs/dbraw/zinc/71/66/10/337716610.db2.gz DDJSCRUEXNSOFM-JXXFODFXSA-N 2 0 311.473 3.680 20 30 DHEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473831 337721442 /nfs/dbraw/zinc/72/14/42/337721442.db2.gz OJSZWZVUBHDAGS-IIHSZXCVSA-N 2 0 304.453 3.709 20 30 DHEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459660046 339041321 /nfs/dbraw/zinc/04/13/21/339041321.db2.gz AQLRVBJCADWKOB-QGZVFWFLSA-N 2 0 313.489 3.611 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283658 339113245 /nfs/dbraw/zinc/11/32/45/339113245.db2.gz OAGVHEWRFGIPDU-ROUUACIJSA-N 2 0 303.494 3.847 20 30 DHEDRP C=CCOc1cccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000506852005 340202868 /nfs/dbraw/zinc/20/28/68/340202868.db2.gz SOTMPAFPXSFHQF-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000512646767 340370832 /nfs/dbraw/zinc/37/08/32/340370832.db2.gz CZEZLJROUFOVPB-INIZCTEOSA-N 2 0 317.452 3.860 20 30 DHEDRP C=CCCCCCC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001209432039 1013272803 /nfs/dbraw/zinc/27/28/03/1013272803.db2.gz XUUQZKCMRGWBFX-UHFFFAOYSA-N 2 0 322.537 3.947 20 30 DHEDRP C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)C1CCCCC1 ZINC001167273755 1013488963 /nfs/dbraw/zinc/48/89/63/1013488963.db2.gz RLWYWTKNNBUCFM-UHFFFAOYSA-N 2 0 307.441 3.949 20 30 DHEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944393 1032405927 /nfs/dbraw/zinc/40/59/27/1032405927.db2.gz KNCLPXYJEWCKSI-CTNGQTDRSA-N 2 0 312.501 3.885 20 30 DHEDRP CCCCCCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000711792270 1012148773 /nfs/dbraw/zinc/14/87/73/1012148773.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 0 318.505 3.526 20 30 DHEDRP C=C(C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000675784250 1018590948 /nfs/dbraw/zinc/59/09/48/1018590948.db2.gz XDNOAZGPMZMYJL-GOSISDBHSA-N 2 0 324.468 3.991 20 30 DHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000340472476 1018698088 /nfs/dbraw/zinc/69/80/88/1018698088.db2.gz CFUUZVPFNMWUDE-HNNXBMFYSA-N 2 0 303.425 3.614 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCSCC#N)CC1 ZINC000158954195 1018963256 /nfs/dbraw/zinc/96/32/56/1018963256.db2.gz FGZBFMYMNJRWTQ-QGZVFWFLSA-N 2 0 323.550 3.610 20 30 DHEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063551595 1019054488 /nfs/dbraw/zinc/05/44/88/1019054488.db2.gz YKMNVSNPLTXAKR-UHFFFAOYSA-N 2 0 319.452 3.560 20 30 DHEDRP C=CCC[C@H](CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166201 1020200381 /nfs/dbraw/zinc/20/03/81/1020200381.db2.gz MZOOUMDWLFJCSB-IBGZPJMESA-N 2 0 301.478 3.628 20 30 DHEDRP C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569854 1020210073 /nfs/dbraw/zinc/21/00/73/1020210073.db2.gz BCCZSODZKWCXEA-UTKZUKDTSA-N 2 0 319.452 3.873 20 30 DHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000657915083 1020417386 /nfs/dbraw/zinc/41/73/86/1020417386.db2.gz HVCGPHIFFHYPKY-RTBURBONSA-N 2 0 320.521 3.746 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921686483 1020444897 /nfs/dbraw/zinc/44/48/97/1020444897.db2.gz KPZYGXDAOINNHI-UHFFFAOYSA-N 2 0 321.468 3.917 20 30 DHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451522 /nfs/dbraw/zinc/45/15/22/1020451522.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 2 0 319.518 3.750 20 30 DHEDRP CCCCCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000740876575 1020958868 /nfs/dbraw/zinc/95/88/68/1020958868.db2.gz UIBFQDQFSOXUFG-PMACEKPBSA-N 2 0 323.569 3.837 20 30 DHEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000618801445 1021519868 /nfs/dbraw/zinc/51/98/68/1021519868.db2.gz AYAZCLVVPRMCRV-NRFANRHFSA-N 2 0 323.484 3.932 20 30 DHEDRP Cc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000926967024 1032988052 /nfs/dbraw/zinc/98/80/52/1032988052.db2.gz ZMFSZHGWDMOXDE-INIZCTEOSA-N 2 0 307.441 3.779 20 30 DHEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768262350 1022937108 /nfs/dbraw/zinc/93/71/08/1022937108.db2.gz IZUPIHQVBHODMH-MRXNPFEDSA-N 2 0 307.441 3.813 20 30 DHEDRP CCCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172298697 1033104551 /nfs/dbraw/zinc/10/45/51/1033104551.db2.gz HCBYPNMNHFCATH-QGZVFWFLSA-N 2 0 313.489 3.591 20 30 DHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300238 1033106140 /nfs/dbraw/zinc/10/61/40/1033106140.db2.gz UEYUTNWPOQVUMN-QSFXBCCZSA-N 2 0 311.473 3.614 20 30 DHEDRP C[N@H+](CCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 ZINC000453403780 1024501705 /nfs/dbraw/zinc/50/17/05/1024501705.db2.gz OWUMMGKNMYDGGK-HXUWFJFHSA-N 2 0 311.473 3.790 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492608 1033226383 /nfs/dbraw/zinc/22/63/83/1033226383.db2.gz MYLIRKFTAQGEBY-VDGAXYAQSA-N 2 0 324.472 3.713 20 30 DHEDRP CCCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000792269883 1024656779 /nfs/dbraw/zinc/65/67/79/1024656779.db2.gz XXRITNWWDHQDLJ-WOJBJXKFSA-N 2 0 323.569 3.695 20 30 DHEDRP CCCCCCC[C@H](CCC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172501190 1033231830 /nfs/dbraw/zinc/23/18/30/1033231830.db2.gz FRJFULKWJPBTGM-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681682 1025195486 /nfs/dbraw/zinc/19/54/86/1025195486.db2.gz WTGWCYHZGGACMH-RRMPHLOHSA-N 2 0 323.484 3.788 20 30 DHEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498922 1026527393 /nfs/dbraw/zinc/52/73/93/1026527393.db2.gz CRDFUNNXWOWTEY-FUHWJXTLSA-N 2 0 323.440 3.542 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000809603517 1026572695 /nfs/dbraw/zinc/57/26/95/1026572695.db2.gz QMALXDLLQWJERR-UHFFFAOYSA-N 2 0 318.464 3.944 20 30 DHEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423034376 1027396596 /nfs/dbraw/zinc/39/65/96/1027396596.db2.gz XNFOTGAQOSYOKA-VDZJLULYSA-N 2 0 300.446 3.577 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138774 1028002599 /nfs/dbraw/zinc/00/25/99/1028002599.db2.gz YDPAGBOAGVCSRX-IEBWSBKVSA-N 2 0 313.489 3.674 20 30 DHEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367208169 1028146959 /nfs/dbraw/zinc/14/69/59/1028146959.db2.gz HWIHZEIXNCWORV-VQIMIIECSA-N 2 0 323.484 3.816 20 30 DHEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094962 1028369145 /nfs/dbraw/zinc/36/91/45/1028369145.db2.gz VGVLGJRRCVHKGL-GIOYIUAESA-N 2 0 305.510 3.805 20 30 DHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445953 1028648694 /nfs/dbraw/zinc/64/86/94/1028648694.db2.gz MVPJJHXFLUOEDH-CAMMJAKZSA-N 2 0 303.494 3.701 20 30 DHEDRP CC1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000372392094 1028845991 /nfs/dbraw/zinc/84/59/91/1028845991.db2.gz TYHWPOOQSVIZIH-UHFFFAOYSA-N 2 0 317.502 3.564 20 30 DHEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568401599 1029060562 /nfs/dbraw/zinc/06/05/62/1029060562.db2.gz XUFWANDRGXMWHJ-UHFFFAOYSA-N 2 0 322.452 3.529 20 30 DHEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096022 /nfs/dbraw/zinc/09/60/22/1029096022.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 2 0 303.494 3.514 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000817968458 1029308792 /nfs/dbraw/zinc/30/87/92/1029308792.db2.gz JNZADWXGWSTXHM-HOCLYGCPSA-N 2 0 308.853 3.611 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246313259 1030516954 /nfs/dbraw/zinc/51/69/54/1030516954.db2.gz YDKKMNAWHKILLT-ROUUACIJSA-N 2 0 311.558 3.774 20 30 DHEDRP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571720 1030538640 /nfs/dbraw/zinc/53/86/40/1030538640.db2.gz PKAUJLAAIVHWIW-GJZGRUSLSA-N 2 0 303.425 3.612 20 30 DHEDRP N#CCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926345075 1030703721 /nfs/dbraw/zinc/70/37/21/1030703721.db2.gz NNTAEKWYJIDDMI-IHWFROFDSA-N 2 0 323.484 3.856 20 30 DHEDRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000927040550 1031049250 /nfs/dbraw/zinc/04/92/50/1031049250.db2.gz XXJVFMGMOGNXHP-SKINQDTJSA-N 2 0 309.457 3.542 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929507299 1031536313 /nfs/dbraw/zinc/53/63/13/1031536313.db2.gz UVSUKYDNTXOXEH-UHFFFAOYSA-N 2 0 319.880 3.764 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929690817 1031580587 /nfs/dbraw/zinc/58/05/87/1031580587.db2.gz WHUBZWSQQXNKTJ-IBGZPJMESA-N 2 0 311.473 3.625 20 30 DHEDRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360873563 1031598137 /nfs/dbraw/zinc/59/81/37/1031598137.db2.gz QXCBXYJPWRFJNQ-LJQANCHMSA-N 2 0 311.473 3.647 20 30 DHEDRP CCC(CC)[NH+]1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194781 1031646671 /nfs/dbraw/zinc/64/66/71/1031646671.db2.gz MCPYFWJBXKHEDE-MRXNPFEDSA-N 2 0 313.489 3.732 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])Nc1ccccc1C ZINC000170908826 1033501290 /nfs/dbraw/zinc/50/12/90/1033501290.db2.gz UMQBQXJPMUFGSD-UHFFFAOYSA-N 2 0 324.472 3.764 20 30 DHEDRP CCCCCCCCC[C@@H](CCC)[NH+]1CCN(CC[NH3+])CC1 ZINC001173285358 1033677061 /nfs/dbraw/zinc/67/70/61/1033677061.db2.gz SQYNGIKLYIIHOC-LJQANCHMSA-N 2 0 311.558 3.872 20 30 DHEDRP N#CCC1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173331477 1033689544 /nfs/dbraw/zinc/68/95/44/1033689544.db2.gz CSSKCDQAGUFHBT-UHFFFAOYSA-N 2 0 303.494 3.561 20 30 DHEDRP N#CCC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691510 /nfs/dbraw/zinc/69/15/10/1033691510.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 2 0 323.484 3.523 20 30 DHEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694625 /nfs/dbraw/zinc/69/46/25/1033694625.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 2 0 303.494 3.798 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001173317895 1033712555 /nfs/dbraw/zinc/71/25/55/1033712555.db2.gz LIOBBRYWCQTNKL-UHFFFAOYSA-N 2 0 308.510 3.741 20 30 DHEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783226 /nfs/dbraw/zinc/78/32/26/1033783226.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 2 0 303.494 3.798 20 30 DHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001177785327 1035392966 /nfs/dbraw/zinc/39/29/66/1035392966.db2.gz VPNUXLCWUIGKCY-MOPGFXCFSA-N 2 0 316.489 3.504 20 30 DHEDRP C=CCOc1cccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1 ZINC001178773982 1035449103 /nfs/dbraw/zinc/44/91/03/1035449103.db2.gz FEOVFTLVNLFIOT-IBGZPJMESA-N 2 0 316.489 3.852 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](CCC(C)(C)C#N)CC1)CC1CC1 ZINC000540715755 1036137299 /nfs/dbraw/zinc/13/72/99/1036137299.db2.gz XHPJLPCDABFSCG-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001183651644 1036641711 /nfs/dbraw/zinc/64/17/11/1036641711.db2.gz HPNSAJWWJNVWBV-MLYOOKFZSA-N 2 0 302.506 3.811 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001183651646 1036642127 /nfs/dbraw/zinc/64/21/27/1036642127.db2.gz HPNSAJWWJNVWBV-SOAMZJECSA-N 2 0 302.506 3.811 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000590260658 1038612910 /nfs/dbraw/zinc/61/29/10/1038612910.db2.gz MCOPYEXIOXGGNR-FQEVSTJZSA-N 2 0 311.473 3.791 20 30 DHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000591577898 1038936053 /nfs/dbraw/zinc/93/60/53/1038936053.db2.gz ZVRCWBJYARZIKB-VLIAUNLRSA-N 2 0 305.425 3.745 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582333 1038938823 /nfs/dbraw/zinc/93/88/23/1038938823.db2.gz ISPXQQYWOJOXPU-HKUYNNGSSA-N 2 0 309.457 3.590 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493896 1039795530 /nfs/dbraw/zinc/79/55/30/1039795530.db2.gz URVGHHHNUTXVDU-KRWDZBQOSA-N 2 0 313.489 3.842 20 30 DHEDRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594505732 1039804748 /nfs/dbraw/zinc/80/47/48/1039804748.db2.gz XKYRYGCSAXMVKF-UHFFFAOYSA-N 2 0 313.489 3.698 20 30 DHEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000595058655 1040023365 /nfs/dbraw/zinc/02/33/65/1040023365.db2.gz IHJJZKGGDYZQRK-PKOBYXMFSA-N 2 0 318.530 3.796 20 30 DHEDRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000595101364 1040067745 /nfs/dbraw/zinc/06/77/45/1040067745.db2.gz DREIPTAWSLQYEA-HXUWFJFHSA-N 2 0 311.473 3.721 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040624993 /nfs/dbraw/zinc/62/49/93/1040624993.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 2 0 311.473 3.546 20 30 DHEDRP C[C@@H](CCC#N)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000602458488 1041043053 /nfs/dbraw/zinc/04/30/53/1041043053.db2.gz MNXVSOIUHLATIK-SFHVURJKSA-N 2 0 313.489 3.770 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000602569661 1041099546 /nfs/dbraw/zinc/09/95/46/1041099546.db2.gz RAVAJVCPBLUYLU-SQNIBIBYSA-N 2 0 313.489 3.672 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602590065 1041105929 /nfs/dbraw/zinc/10/59/29/1041105929.db2.gz VSSVELDIJXUAGL-YMPIPDKKSA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442708813 335035123 /nfs/dbraw/zinc/03/51/23/335035123.db2.gz LPOWHLLZNFPLJF-UWVAXJGDSA-N 2 0 311.473 3.700 20 30 DHEDRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135239014 332617202 /nfs/dbraw/zinc/61/72/02/332617202.db2.gz HAOFSWSKUOQOKQ-UHFFFAOYSA-N 2 0 313.489 3.651 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000174324568 333085079 /nfs/dbraw/zinc/08/50/79/333085079.db2.gz OXKCOMSBPYKMQJ-UHFFFAOYSA-N 2 0 319.518 3.880 20 30 DHEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309778942 333196471 /nfs/dbraw/zinc/19/64/71/333196471.db2.gz KDNITOXWBNAZMV-PKOBYXMFSA-N 2 0 313.489 3.817 20 30 DHEDRP C=CCOc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000535082870 334366638 /nfs/dbraw/zinc/36/66/38/334366638.db2.gz OMCNYJBRSOXRHD-UHFFFAOYSA-N 2 0 316.489 3.804 20 30 DHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035190 335589187 /nfs/dbraw/zinc/58/91/87/335589187.db2.gz IHKOTBJQZFPZQY-KMEYYKJISA-N 2 0 317.521 3.949 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000532563565 336255666 /nfs/dbraw/zinc/25/56/66/336255666.db2.gz DFZPKVVLMVODRQ-MJGOQNOKSA-N 2 0 317.452 3.688 20 30 DHEDRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872527 336278531 /nfs/dbraw/zinc/27/85/31/336278531.db2.gz QHXLHDMJXMHGTJ-KRWDZBQOSA-N 2 0 307.441 3.731 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000360884659 336725815 /nfs/dbraw/zinc/72/58/15/336725815.db2.gz PYSWAWBWIBNVTD-OAQYLSRUSA-N 2 0 323.484 3.790 20 30 DHEDRP N#Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121604668 336968455 /nfs/dbraw/zinc/96/84/55/336968455.db2.gz JFBZFLFXXCUECY-UHFFFAOYSA-N 2 0 311.473 3.646 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000185866229 337252111 /nfs/dbraw/zinc/25/21/11/337252111.db2.gz HFTBSUVCAVKFNT-TXQGORRRSA-N 2 0 303.494 3.701 20 30 DHEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423468982 337721094 /nfs/dbraw/zinc/72/10/94/337721094.db2.gz KCTIMULPGRQOJM-QXAKKESOSA-N 2 0 304.453 3.853 20 30 DHEDRP C=C(C)C[NH+](C)Cc1cc(C[N@H+](C)CC(=C)C)cc(OC)c1 ZINC000432853888 338170823 /nfs/dbraw/zinc/17/08/23/338170823.db2.gz LJNNHYPFVUHYOT-UHFFFAOYSA-N 2 0 302.462 3.711 20 30 DHEDRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424439 339204176 /nfs/dbraw/zinc/20/41/76/339204176.db2.gz HXVKDSOZGBMUTK-LAUBAEHRSA-N 2 0 319.452 3.526 20 30 DHEDRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424441 339204248 /nfs/dbraw/zinc/20/42/48/339204248.db2.gz HXVKDSOZGBMUTK-UTKZUKDTSA-N 2 0 319.452 3.526 20 30 DHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000506863455 340202953 /nfs/dbraw/zinc/20/29/53/340202953.db2.gz WOSFXWVHJIGUQT-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000542945035 341026946 /nfs/dbraw/zinc/02/69/46/341026946.db2.gz KVOBTNUARQIATF-UHFFFAOYSA-N 2 0 313.489 3.892 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(C#N)cs3)CC2)CC1 ZINC000131086320 341058510 /nfs/dbraw/zinc/05/85/10/341058510.db2.gz ZLCUSWCZRMCPOY-UHFFFAOYSA-N 2 0 317.502 3.752 20 30 DHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134209426 341209538 /nfs/dbraw/zinc/20/95/38/341209538.db2.gz NFBMHNGMQTUNCG-UHFFFAOYSA-N 2 0 314.473 3.559 20 30 DHEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245896569 341317547 /nfs/dbraw/zinc/31/75/47/341317547.db2.gz NEIUCLSQZXIKGU-KZNAEPCWSA-N 2 0 313.489 3.967 20 30 DHEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221285 524924347 /nfs/dbraw/zinc/92/43/47/524924347.db2.gz CRLWNFHPVLSASE-OXJNMPFZSA-N 2 0 319.452 3.798 20 30 DHEDRP CCCCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397700569 1013907587 /nfs/dbraw/zinc/90/75/87/1013907587.db2.gz UTPURACPXLNXSG-UHFFFAOYSA-N 2 0 318.505 3.574 20 30 DHEDRP C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000183045136 1014357333 /nfs/dbraw/zinc/35/73/33/1014357333.db2.gz XYBYIHVXMLLOCY-INIZCTEOSA-N 2 0 302.462 3.601 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611100 /nfs/dbraw/zinc/61/11/00/1014611100.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 2 0 313.489 3.792 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000106245338 1015181376 /nfs/dbraw/zinc/18/13/76/1015181376.db2.gz DLRRMFAIJGHYSL-UHFFFAOYSA-N 2 0 320.502 3.547 20 30 DHEDRP CCc1ccc(NC(=[NH2+])NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000104178415 1016229784 /nfs/dbraw/zinc/22/97/84/1016229784.db2.gz OQLIPWKUHGQWQA-UHFFFAOYSA-N 2 0 324.472 3.628 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158261395 1016718380 /nfs/dbraw/zinc/71/83/80/1016718380.db2.gz BUBUESLLAFXUQC-HOTGVXAUSA-N 2 0 322.880 3.810 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000424319611 1011976777 /nfs/dbraw/zinc/97/67/77/1011976777.db2.gz FFXIGINLSKGHMU-IFLJBQAJSA-N 2 0 323.484 3.711 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424324903 1011981996 /nfs/dbraw/zinc/98/19/96/1011981996.db2.gz KKEGMVQRNMBLQN-CRSSMBPESA-N 2 0 323.484 3.569 20 30 DHEDRP N#CCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000517085991 1012903188 /nfs/dbraw/zinc/90/31/88/1012903188.db2.gz YCMLUZIMYZRHJI-UHFFFAOYSA-N 2 0 311.473 3.798 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3csc(C#N)c3)CC2)CC1 ZINC000921928398 1019134961 /nfs/dbraw/zinc/13/49/61/1019134961.db2.gz BLKJBWCQSCYUNT-UHFFFAOYSA-N 2 0 317.502 3.752 20 30 DHEDRP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569853 1020209979 /nfs/dbraw/zinc/20/99/79/1020209979.db2.gz BCCZSODZKWCXEA-LAUBAEHRSA-N 2 0 319.452 3.873 20 30 DHEDRP Cc1nccn1CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412635 1020340213 /nfs/dbraw/zinc/34/02/13/1020340213.db2.gz KFPPAIZLJHECOT-UHFFFAOYSA-N 2 0 308.429 3.508 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000613254661 1020874950 /nfs/dbraw/zinc/87/49/50/1020874950.db2.gz QACXFZYNWLIZJX-QRVBRYPASA-N 2 0 303.494 3.703 20 30 DHEDRP C#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781424820 1021366401 /nfs/dbraw/zinc/36/64/01/1021366401.db2.gz ZBGLORPSDIVFRH-PCCBWWKXSA-N 2 0 310.485 3.680 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065649 1032987834 /nfs/dbraw/zinc/98/78/34/1032987834.db2.gz PTMJWCHESGVYMU-OWZKRDHZSA-N 2 0 311.473 3.856 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136211 1021917829 /nfs/dbraw/zinc/91/78/29/1021917829.db2.gz ZFPGAUMGNJBIBU-PXNSSMCTSA-N 2 0 319.452 3.731 20 30 DHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136245 1021923744 /nfs/dbraw/zinc/92/37/44/1021923744.db2.gz ZFPGAUMGNJBIBU-YLJYHZDGSA-N 2 0 319.452 3.731 20 30 DHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001172298498 1033103514 /nfs/dbraw/zinc/10/35/14/1033103514.db2.gz XPRQKGYKRSHMMV-HNNXBMFYSA-N 2 0 313.489 3.730 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453210397 1024403543 /nfs/dbraw/zinc/40/35/43/1024403543.db2.gz JLUTZBVWNCRFRX-AQNXPRMDSA-N 2 0 323.484 3.713 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384898 1025045736 /nfs/dbraw/zinc/04/57/36/1025045736.db2.gz LSBUPTUQSQQKOL-OXQOHEQNSA-N 2 0 311.473 3.790 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384894 1025047454 /nfs/dbraw/zinc/04/74/54/1025047454.db2.gz LSBUPTUQSQQKOL-JXFKEZNVSA-N 2 0 311.473 3.790 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000793551889 1025099962 /nfs/dbraw/zinc/09/99/62/1025099962.db2.gz WFWMHUMDFNORGK-SXLOBPIMSA-N 2 0 322.537 3.869 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810158 /nfs/dbraw/zinc/81/01/58/1025810158.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 2 0 313.489 3.650 20 30 DHEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000053140078 1025825991 /nfs/dbraw/zinc/82/59/91/1025825991.db2.gz RCSDQTFRXCSPPI-UHFFFAOYSA-N 2 0 319.452 3.834 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000809609485 1026563228 /nfs/dbraw/zinc/56/32/28/1026563228.db2.gz FFDWUWQVSAQRKV-UHFFFAOYSA-N 2 0 306.453 3.798 20 30 DHEDRP C#Cc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000809627587 1026577646 /nfs/dbraw/zinc/57/76/46/1026577646.db2.gz CNMPMZKUPYPRAG-UHFFFAOYSA-N 2 0 310.485 3.801 20 30 DHEDRP C=CCOc1cccc(CN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000362375546 1027169050 /nfs/dbraw/zinc/16/90/50/1027169050.db2.gz FYOGEEWWFTZEOC-UHFFFAOYSA-N 2 0 314.473 3.748 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940587 1027182063 /nfs/dbraw/zinc/18/20/63/1027182063.db2.gz OORKSGDQNQMHOW-CVEARBPZSA-N 2 0 317.452 3.860 20 30 DHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507016 1027568294 /nfs/dbraw/zinc/56/82/94/1027568294.db2.gz JJTHXOJXRRPMCW-PMACEKPBSA-N 2 0 305.425 3.615 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)CC(C)C ZINC000562763708 1027594930 /nfs/dbraw/zinc/59/49/30/1027594930.db2.gz OKPSUXQIIMXROQ-MOPGFXCFSA-N 2 0 305.510 3.759 20 30 DHEDRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614652 1027777226 /nfs/dbraw/zinc/77/72/26/1027777226.db2.gz UTFVRKPWNLCLHW-FQEVSTJZSA-N 2 0 311.473 3.612 20 30 DHEDRP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCCCC1 ZINC000449079639 1028346188 /nfs/dbraw/zinc/34/61/88/1028346188.db2.gz ZPBOHXNUOXUVLO-JLAWEPINSA-N 2 0 305.510 3.949 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449180284 1028436654 /nfs/dbraw/zinc/43/66/54/1028436654.db2.gz ZLQVFXKFLGVYLJ-BMHOQUIDSA-N 2 0 305.510 3.949 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449180283 1028436666 /nfs/dbraw/zinc/43/66/66/1028436666.db2.gz ZLQVFXKFLGVYLJ-BKVYNOPKSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449236520 1028457630 /nfs/dbraw/zinc/45/76/30/1028457630.db2.gz YEVYGAPWQCXIPY-XNYRCJLNSA-N 2 0 303.494 3.701 20 30 DHEDRP C[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671811 1028516390 /nfs/dbraw/zinc/51/63/90/1028516390.db2.gz JQYQOJSWEAQCKV-HOCLYGCPSA-N 2 0 305.491 3.660 20 30 DHEDRP CC1CC[NH+](CC2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000370003318 1028553095 /nfs/dbraw/zinc/55/30/95/1028553095.db2.gz ZWKCPEUSMZUTQB-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP CC1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000373187411 1028970665 /nfs/dbraw/zinc/97/06/65/1028970665.db2.gz MHNGQOZKHZTDLM-TXLGJMDYSA-N 2 0 303.494 3.701 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000817984215 1029319863 /nfs/dbraw/zinc/31/98/63/1029319863.db2.gz OSHZAEIVQGQBEA-AWEZNQCLSA-N 2 0 308.853 3.611 20 30 DHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533448777 1030357856 /nfs/dbraw/zinc/35/78/56/1030357856.db2.gz HUEGBMGRVOLEQW-IYBDPMFKSA-N 2 0 317.452 3.545 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000358579533 1030545076 /nfs/dbraw/zinc/54/50/76/1030545076.db2.gz WPIYBWFUJUFIJF-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312918 1030693890 /nfs/dbraw/zinc/69/38/90/1030693890.db2.gz CCCSGZIXSAUUFO-BTYIYWSLSA-N 2 0 319.452 3.958 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926626062 1030829069 /nfs/dbraw/zinc/82/90/69/1030829069.db2.gz GKBOAXFRZKLPNU-MRXNPFEDSA-N 2 0 307.441 3.665 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)CC1CC1 ZINC000559147040 1031134869 /nfs/dbraw/zinc/13/48/69/1031134869.db2.gz RFELCKQZYOFMRQ-OALUTQOASA-N 2 0 303.494 3.513 20 30 DHEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663456 1031510845 /nfs/dbraw/zinc/51/08/45/1031510845.db2.gz JQVNHHANLGFWGK-NLWGTHIKSA-N 2 0 311.473 3.788 20 30 DHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000293572499 1031521388 /nfs/dbraw/zinc/52/13/88/1031521388.db2.gz BJTCCVFHEYGSSJ-HNNXBMFYSA-N 2 0 303.425 3.614 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360828764 1031579045 /nfs/dbraw/zinc/57/90/45/1031579045.db2.gz AHSDZUYCNOEMOR-NSHGMRRFSA-N 2 0 309.457 3.542 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001171192890 1031635325 /nfs/dbraw/zinc/63/53/25/1031635325.db2.gz QLFMBKHHXQVRJH-ZWKOTPCHSA-N 2 0 321.468 3.586 20 30 DHEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000104169914 1033653790 /nfs/dbraw/zinc/65/37/90/1033653790.db2.gz KNVLIHKLJQUGLB-OAHLLOKOSA-N 2 0 316.493 3.542 20 30 DHEDRP CCCCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000863539923 1034123292 /nfs/dbraw/zinc/12/32/92/1034123292.db2.gz NMZVXVORHSYSRL-IEBWSBKVSA-N 2 0 302.462 3.802 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483711436 1035293893 /nfs/dbraw/zinc/29/38/93/1035293893.db2.gz PAEZSPLJMLNKJM-UHFFFAOYSA-N 2 0 312.501 3.872 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000903253656 1035294558 /nfs/dbraw/zinc/29/45/58/1035294558.db2.gz NWBJOEDQAIIRKD-CKHPTIKVSA-N 2 0 323.484 3.932 20 30 DHEDRP C=CC(C)(C)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001179232858 1035470633 /nfs/dbraw/zinc/47/06/33/1035470633.db2.gz WHDCPHBILJJIKU-UHFFFAOYSA-N 2 0 316.489 3.853 20 30 DHEDRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccc1C#N ZINC001179612496 1035485953 /nfs/dbraw/zinc/48/59/53/1035485953.db2.gz ZIMXQDYVHAGMHN-UHFFFAOYSA-N 2 0 311.473 3.753 20 30 DHEDRP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000539818366 1035876841 /nfs/dbraw/zinc/87/68/41/1035876841.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 0 302.462 3.556 20 30 DHEDRP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877196 /nfs/dbraw/zinc/87/71/96/1035877196.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 2 0 302.462 3.556 20 30 DHEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236931 1036529521 /nfs/dbraw/zinc/52/95/21/1036529521.db2.gz VRRAOXBYALIKFR-UWJYYQICSA-N 2 0 319.452 3.558 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001183651642 1036642622 /nfs/dbraw/zinc/64/26/22/1036642622.db2.gz HPNSAJWWJNVWBV-JPLJXNOCSA-N 2 0 302.506 3.811 20 30 DHEDRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275945 1036944631 /nfs/dbraw/zinc/94/46/31/1036944631.db2.gz CFGYTWCTMMQECB-LPHOPBHVSA-N 2 0 311.473 3.609 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000591582571 1038939623 /nfs/dbraw/zinc/93/96/23/1038939623.db2.gz LQSQBCQICDUKEU-IOJLRTSASA-N 2 0 323.484 3.655 20 30 DHEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594493982 1039795733 /nfs/dbraw/zinc/79/57/33/1039795733.db2.gz CXKZEDIXYRZYTN-UHFFFAOYSA-N 2 0 321.468 3.839 20 30 DHEDRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094358 1040305812 /nfs/dbraw/zinc/30/58/12/1040305812.db2.gz LCNBEHRMFCGDPZ-QUCCMNQESA-N 2 0 311.473 3.721 20 30 DHEDRP CC[N@H+](CCC1CC[NH+](C[C@@H](C)CCC#N)CC1)CC1CC1 ZINC000602504567 1041071076 /nfs/dbraw/zinc/07/10/76/1041071076.db2.gz HBDZUMHQVCOZHF-KRWDZBQOSA-N 2 0 305.510 3.760 20 30 DHEDRP N#CC1(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000602862132 1041268909 /nfs/dbraw/zinc/26/89/09/1041268909.db2.gz IZTZSJGSESLHMU-UHFFFAOYSA-N 2 0 323.484 3.668 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000057626522 184042770 /nfs/dbraw/zinc/04/27/70/184042770.db2.gz WHETYZMDMRUFLG-UHFFFAOYSA-N 2 0 307.441 3.690 20 30 DHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285559285 131181787 /nfs/dbraw/zinc/18/17/87/131181787.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 0 311.429 3.666 20 30 DHEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000560526972 332351382 /nfs/dbraw/zinc/35/13/82/332351382.db2.gz JPXQGRRXIHRPNU-KURKYZTESA-N 2 0 320.477 3.766 20 30 DHEDRP N#CCCCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183137809 333183162 /nfs/dbraw/zinc/18/31/62/333183162.db2.gz QCXCIBGJEMDRGT-ZCNNSNEGSA-N 2 0 311.473 3.571 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000192783780 333292613 /nfs/dbraw/zinc/29/26/13/333292613.db2.gz HBLBNXLSQSWQAS-IRXDYDNUSA-N 2 0 317.502 3.632 20 30 DHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501228 334096984 /nfs/dbraw/zinc/09/69/84/334096984.db2.gz AGOOQNDFMMESSV-WOJBJXKFSA-N 2 0 311.473 3.523 20 30 DHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC(C)(C)CCC#N ZINC000289469046 334165547 /nfs/dbraw/zinc/16/55/47/334165547.db2.gz PGVPPAPINVEWOV-UHFFFAOYSA-N 2 0 301.478 3.900 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181755513 525441433 /nfs/dbraw/zinc/44/14/33/525441433.db2.gz HRSXXNDMKLDZRA-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181755530 525523976 /nfs/dbraw/zinc/52/39/76/525523976.db2.gz HRSXXNDMKLDZRA-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP C=CCCCCC[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001209422833 1013256694 /nfs/dbraw/zinc/25/66/94/1013256694.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 0 308.510 3.556 20 30 DHEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442648919 1014711504 /nfs/dbraw/zinc/71/15/04/1014711504.db2.gz MKSSBCDDVSVRMO-UXHICEINSA-N 2 0 311.473 3.700 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442721145 1014723966 /nfs/dbraw/zinc/72/39/66/1014723966.db2.gz UUPXUWHDQBHPST-LSTHTHJFSA-N 2 0 311.473 3.700 20 30 DHEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000442790426 1014735281 /nfs/dbraw/zinc/73/52/81/1014735281.db2.gz GJDCIONIEOVHLE-FXAWDEMLSA-N 2 0 311.473 3.844 20 30 DHEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442789700 1014735662 /nfs/dbraw/zinc/73/56/62/1014735662.db2.gz KENMNDIFEAPFJB-XLIONFOSSA-N 2 0 311.473 3.700 20 30 DHEDRP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000255448187 1016185563 /nfs/dbraw/zinc/18/55/63/1016185563.db2.gz IHULKOBVKBISNE-JAGHSJQASA-N 2 0 317.477 3.530 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159120724 1016873746 /nfs/dbraw/zinc/87/37/46/1016873746.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 2 0 311.473 3.667 20 30 DHEDRP C[NH+](C)C1CCC([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001168326624 1032287644 /nfs/dbraw/zinc/28/76/44/1032287644.db2.gz CPRAXZMQVOYPCJ-UHFFFAOYSA-N 2 0 319.880 3.928 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000765452256 1018791358 /nfs/dbraw/zinc/79/13/58/1018791358.db2.gz ZMWGUTRBSLMSHU-HUUCEWRRSA-N 2 0 310.869 3.809 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000611392187 1019465372 /nfs/dbraw/zinc/46/53/72/1019465372.db2.gz JGQUOKZQGQTXTN-FQEVSTJZSA-N 2 0 309.457 3.542 20 30 DHEDRP C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390997 1019473506 /nfs/dbraw/zinc/47/35/06/1019473506.db2.gz LXVKWXMBNZOEBZ-UZLBHIALSA-N 2 0 311.473 3.647 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922846497 1020305273 /nfs/dbraw/zinc/30/52/73/1020305273.db2.gz LLTNSRISGICDND-UHFFFAOYSA-N 2 0 311.473 3.672 20 30 DHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000180039190 1020725556 /nfs/dbraw/zinc/72/55/56/1020725556.db2.gz OWPGXCWBRDVMON-UHFFFAOYSA-N 2 0 317.502 3.708 20 30 DHEDRP C[N@H+](CCCC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174881650 1021006833 /nfs/dbraw/zinc/00/68/33/1021006833.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 2 0 313.489 3.770 20 30 DHEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252136634 1021353013 /nfs/dbraw/zinc/35/30/13/1021353013.db2.gz SJCSHXQDWCTLOU-LJQANCHMSA-N 2 0 312.542 3.808 20 30 DHEDRP CC(C)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000616367091 1022702162 /nfs/dbraw/zinc/70/21/62/1022702162.db2.gz JDIFAKISJFAJPP-IBGZPJMESA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172481900 1033195646 /nfs/dbraw/zinc/19/56/46/1033195646.db2.gz ZDDCGTDNLCZVGW-RSPOEFSDSA-N 2 0 311.473 3.854 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001172490538 1033223750 /nfs/dbraw/zinc/22/37/50/1033223750.db2.gz HNEHSZMWNYXNKR-HBFSDRIKSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H](CCCC#N)[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001172498115 1033228763 /nfs/dbraw/zinc/22/87/63/1033228763.db2.gz IWRIRDDGFCURKJ-GOSISDBHSA-N 2 0 311.473 3.667 20 30 DHEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001172497584 1033230605 /nfs/dbraw/zinc/23/06/05/1033230605.db2.gz DKAKBXSPQYQBFK-QGZVFWFLSA-N 2 0 315.461 3.650 20 30 DHEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001172497579 1033230662 /nfs/dbraw/zinc/23/06/62/1033230662.db2.gz DKAKBXSPQYQBFK-KRWDZBQOSA-N 2 0 315.461 3.650 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001170364640 1024755159 /nfs/dbraw/zinc/75/51/59/1024755159.db2.gz BMZLFOKECYOGCW-UHFFFAOYSA-N 2 0 313.489 3.889 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000350561126 1024827584 /nfs/dbraw/zinc/82/75/84/1024827584.db2.gz RIPYSVYCAGXSBZ-OMYXNUHHSA-N 2 0 323.484 3.607 20 30 DHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793532109 1025110757 /nfs/dbraw/zinc/11/07/57/1025110757.db2.gz FMVLMPISWOXYFU-QZTJIDSGSA-N 2 0 308.510 3.602 20 30 DHEDRP N#CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669506 1025193359 /nfs/dbraw/zinc/19/33/59/1025193359.db2.gz CPLVAENJDRGJSF-SLFFLAALSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681681 1025194865 /nfs/dbraw/zinc/19/48/65/1025194865.db2.gz WTGWCYHZGGACMH-KLHJMIIUSA-N 2 0 323.484 3.788 20 30 DHEDRP CN1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428642 1025326066 /nfs/dbraw/zinc/32/60/66/1025326066.db2.gz GSDBKFWJSCUBIB-RTWAWAEBSA-N 2 0 319.452 3.526 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000131082733 1025679340 /nfs/dbraw/zinc/67/93/40/1025679340.db2.gz XSWUFZALGUHKMO-UHFFFAOYSA-N 2 0 305.510 3.949 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793076 /nfs/dbraw/zinc/79/30/76/1025793076.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 2 0 313.489 3.792 20 30 DHEDRP C#CCCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236984607 1025981892 /nfs/dbraw/zinc/98/18/92/1025981892.db2.gz WUGYSMSMKHHHEF-LJQANCHMSA-N 2 0 316.489 3.545 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089513118 1026052778 /nfs/dbraw/zinc/05/27/78/1026052778.db2.gz MVZXBYDFJWDCOX-INIZCTEOSA-N 2 0 314.473 3.612 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193665 1026705655 /nfs/dbraw/zinc/70/56/55/1026705655.db2.gz PFYIDFYOESMIAI-JTDSTZFVSA-N 2 0 311.473 3.862 20 30 DHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422987453 1027388297 /nfs/dbraw/zinc/38/82/97/1027388297.db2.gz IKIRWEYGKGWQQQ-RTBURBONSA-N 2 0 323.465 3.526 20 30 DHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035191 1028123359 /nfs/dbraw/zinc/12/33/59/1028123359.db2.gz IHKOTBJQZFPZQY-NNZWXOEDSA-N 2 0 317.521 3.949 20 30 DHEDRP C[C@H](CC[NH2+]C1CCC(C)(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000449173405 1028415650 /nfs/dbraw/zinc/41/56/50/1028415650.db2.gz GAYUGTLKTNFDCA-QHGAOEGBSA-N 2 0 313.489 3.959 20 30 DHEDRP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449236517 1028457105 /nfs/dbraw/zinc/45/71/05/1028457105.db2.gz YEVYGAPWQCXIPY-AAILRHKWSA-N 2 0 303.494 3.701 20 30 DHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449445033 1028648791 /nfs/dbraw/zinc/64/87/91/1028648791.db2.gz GMKPQYKHHXIAMC-PBWTXFEYSA-N 2 0 303.494 3.701 20 30 DHEDRP CC1(C#N)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411499053 1029145313 /nfs/dbraw/zinc/14/53/13/1029145313.db2.gz QWGDNMMHDODRPD-UHFFFAOYSA-N 2 0 311.473 3.798 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817948048 1029291415 /nfs/dbraw/zinc/29/14/15/1029291415.db2.gz SUHDYOOLVSQAQL-ZOBUZTSGSA-N 2 0 322.880 3.857 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000817947153 1029292289 /nfs/dbraw/zinc/29/22/89/1029292289.db2.gz LQEKXDDWYZYANE-JEYLPNPQSA-N 2 0 308.853 3.738 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000817968456 1029308164 /nfs/dbraw/zinc/30/81/64/1029308164.db2.gz JNZADWXGWSTXHM-GDBMZVCRSA-N 2 0 308.853 3.611 20 30 DHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526299 1030046689 /nfs/dbraw/zinc/04/66/89/1030046689.db2.gz SEABQIDFRRGJPB-INIZCTEOSA-N 2 0 307.441 3.813 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866231953 1030167934 /nfs/dbraw/zinc/16/79/34/1030167934.db2.gz AVCYQSWRRSVZOK-HZPDHXFCSA-N 2 0 315.461 3.569 20 30 DHEDRP N#CC1(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926627414 1030827936 /nfs/dbraw/zinc/82/79/36/1030827936.db2.gz OOHWZTKLZIGRJN-IHWFROFDSA-N 2 0 323.484 3.856 20 30 DHEDRP C=CCC[C@@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000926958565 1031017201 /nfs/dbraw/zinc/01/72/01/1031017201.db2.gz ORUGBLGOOKBXQE-GOSISDBHSA-N 2 0 316.489 3.612 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929295421 1031487119 /nfs/dbraw/zinc/48/71/19/1031487119.db2.gz HNGPNRBDJKPTSC-UHFFFAOYSA-N 2 0 305.510 3.760 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565085 /nfs/dbraw/zinc/56/50/85/1031565085.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 2 0 317.521 3.903 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171186894 1031602966 /nfs/dbraw/zinc/60/29/66/1031602966.db2.gz ZUSIQJUXXFWBFP-SJORKVTESA-N 2 0 301.478 3.589 20 30 DHEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)cc1C ZINC000104169562 1033653969 /nfs/dbraw/zinc/65/39/69/1033653969.db2.gz AFLIOVJNEJUWOA-UHFFFAOYSA-N 2 0 316.493 3.542 20 30 DHEDRP C=CCOC1CCC([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001173311620 1033665320 /nfs/dbraw/zinc/66/53/20/1033665320.db2.gz MSWMKJFPTNZQOX-MHJFOBGBSA-N 2 0 316.489 3.783 20 30 DHEDRP C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000539818367 1035873778 /nfs/dbraw/zinc/87/37/78/1035873778.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 0 302.462 3.556 20 30 DHEDRP CC(C)[NH+](CCCN[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000540707509 1036133303 /nfs/dbraw/zinc/13/33/03/1036133303.db2.gz GIGLEFNDXVLTRI-OAHLLOKOSA-N 2 0 305.441 3.857 20 30 DHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC001199336622 1037242021 /nfs/dbraw/zinc/24/20/21/1037242021.db2.gz SWWDORMHFZGJRR-GOSISDBHSA-N 2 0 313.489 3.919 20 30 DHEDRP C=CCCSCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595060182 1040026152 /nfs/dbraw/zinc/02/61/52/1040026152.db2.gz UDGVHCCCJRAYSB-HKUYNNGSSA-N 2 0 318.530 3.796 20 30 DHEDRP CC[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649830 1040539921 /nfs/dbraw/zinc/53/99/21/1040539921.db2.gz MJTYGBNRXTWKSU-NJDAHSKKSA-N 2 0 319.452 3.745 20 30 DHEDRP N#CC1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000602506035 1041075094 /nfs/dbraw/zinc/07/50/94/1041075094.db2.gz CJMHRSIPXUOLCA-UHFFFAOYSA-N 2 0 303.494 3.847 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000602511577 1041079731 /nfs/dbraw/zinc/07/97/31/1041079731.db2.gz OWFQOSLAWMDNPA-SFHVURJKSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660270 1041144373 /nfs/dbraw/zinc/14/43/73/1041144373.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 2 0 311.473 3.524 20 30 DHEDRP CC[NH+](CC)CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426996188 332164843 /nfs/dbraw/zinc/16/48/43/332164843.db2.gz YDCTVUZUMNKKEG-UHFFFAOYSA-N 2 0 318.892 3.745 20 30 DHEDRP C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513768 333197827 /nfs/dbraw/zinc/19/78/27/333197827.db2.gz IQCCVPKIUPSNQU-SJORKVTESA-N 2 0 315.461 3.504 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797510 334101276 /nfs/dbraw/zinc/10/12/76/334101276.db2.gz QXPDQFVDIWSTKJ-IJXRJRJASA-N 2 0 311.473 3.569 20 30 DHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515174 337074917 /nfs/dbraw/zinc/07/49/17/337074917.db2.gz FXHWLNLYEQABJS-DQLDELGASA-N 2 0 319.452 3.902 20 30 DHEDRP C=CCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004891 337695359 /nfs/dbraw/zinc/69/53/59/337695359.db2.gz QENFONUPCLUZRQ-LRDDRELGSA-N 2 0 312.379 3.910 20 30 DHEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423132227 337701091 /nfs/dbraw/zinc/70/10/91/337701091.db2.gz OXAXFEQHDCZWEX-JXFKEZNVSA-N 2 0 322.456 3.935 20 30 DHEDRP CC(C)(C#N)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121686087 337897179 /nfs/dbraw/zinc/89/71/79/337897179.db2.gz PCKIYKJFPHNJAK-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777204 338430481 /nfs/dbraw/zinc/43/04/81/338430481.db2.gz IMPAUSHYMKZUTA-XLIONFOSSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082204 338591650 /nfs/dbraw/zinc/59/16/50/338591650.db2.gz LMHHAXNQORZDDB-YXWAVELNSA-N 2 0 305.510 3.807 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094963 338593071 /nfs/dbraw/zinc/59/30/71/338593071.db2.gz VGVLGJRRCVHKGL-HNXFYBAISA-N 2 0 305.510 3.805 20 30 DHEDRP C[NH+](C)CCCC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000501783854 340088705 /nfs/dbraw/zinc/08/87/05/340088705.db2.gz AXKFAUSRDBDRTA-UHFFFAOYSA-N 2 0 318.892 3.745 20 30 DHEDRP C=CCCC[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047332 340184169 /nfs/dbraw/zinc/18/41/69/340184169.db2.gz KCXHMMSBWAIJRD-SFHVURJKSA-N 2 0 308.510 3.556 20 30 DHEDRP C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654736 340371336 /nfs/dbraw/zinc/37/13/36/340371336.db2.gz OHXYNHPLUYHVHM-OWCLPIDISA-N 2 0 317.452 3.716 20 30 DHEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245941857 341319095 /nfs/dbraw/zinc/31/90/95/341319095.db2.gz VABIHBYRDWZBSN-FGTMMUONSA-N 2 0 313.489 3.967 20 30 DHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401918 341376582 /nfs/dbraw/zinc/37/65/82/341376582.db2.gz MJHMJZXQVUUCMM-FCEWJHQRSA-N 2 0 311.473 3.862 20 30 DHEDRP C=CCCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565226976 341520623 /nfs/dbraw/zinc/52/06/23/341520623.db2.gz PSQGMVVMDRMSJH-HKUYNNGSSA-N 2 0 300.446 3.578 20 30 DHEDRP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000177682050 341923557 /nfs/dbraw/zinc/92/35/57/341923557.db2.gz NWSUSLLDUJAUOH-UHFFFAOYSA-N 2 0 311.454 3.505 20 30 DHEDRP Cc1cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C#N ZINC000895113482 1014444962 /nfs/dbraw/zinc/44/49/62/1014444962.db2.gz WUMQJOGVGCSIIX-WGSAOQKQSA-N 2 0 320.440 3.538 20 30 DHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874252 1014753990 /nfs/dbraw/zinc/75/39/90/1014753990.db2.gz SXJHEVAEMWUUJB-USWSCHJFSA-N 2 0 317.521 3.949 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000535815266 1015833885 /nfs/dbraw/zinc/83/38/85/1015833885.db2.gz WHXLEGMDCHEHSS-UHFFFAOYSA-N 2 0 316.489 3.804 20 30 DHEDRP C=CC[C@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684929592 1016987790 /nfs/dbraw/zinc/98/77/90/1016987790.db2.gz GDHCUVBIDQOXHI-SFHVURJKSA-N 2 0 302.462 3.606 20 30 DHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000424300444 1011962009 /nfs/dbraw/zinc/96/20/09/1011962009.db2.gz XPBVEQFNXJVSBL-WMZOPIPTSA-N 2 0 322.537 3.846 20 30 DHEDRP C=CCOc1cccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000516993168 1012882533 /nfs/dbraw/zinc/88/25/33/1012882533.db2.gz PJQALVCSNVXJMR-SFHVURJKSA-N 2 0 304.478 3.707 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229698 /nfs/dbraw/zinc/22/96/98/1018229698.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 0 317.502 3.706 20 30 DHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063551522 1019056123 /nfs/dbraw/zinc/05/61/23/1019056123.db2.gz UTFLHTUMAOLLFY-UHFFFAOYSA-N 2 0 319.452 3.560 20 30 DHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096625 1019663008 /nfs/dbraw/zinc/66/30/08/1019663008.db2.gz FRLWBDHOGSKRGH-DYESRHJHSA-N 2 0 319.452 3.558 20 30 DHEDRP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1C ZINC001171742233 1032879157 /nfs/dbraw/zinc/87/91/57/1032879157.db2.gz UOYRRALXFWAZBF-YLJYHZDGSA-N 2 0 321.468 3.672 20 30 DHEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000414162447 1020950177 /nfs/dbraw/zinc/95/01/77/1020950177.db2.gz HAHMIOLHRBOKDE-UHFFFAOYSA-N 2 0 313.489 3.959 20 30 DHEDRP C=C(Br)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647897 1021662409 /nfs/dbraw/zinc/66/24/09/1021662409.db2.gz LGXQGGQCCBZKID-GOEBONIOSA-N 2 0 323.278 3.538 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229086 1022227224 /nfs/dbraw/zinc/22/72/24/1022227224.db2.gz IOZFCFSOWMIYRN-DYESRHJHSA-N 2 0 319.452 3.558 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001172300484 1033070338 /nfs/dbraw/zinc/07/03/38/1033070338.db2.gz WBFUKPSXKHBTGK-MRXNPFEDSA-N 2 0 313.489 3.589 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308730 1033078231 /nfs/dbraw/zinc/07/82/31/1033078231.db2.gz MOXMLAZQOUIULB-FFZOFVMBSA-N 2 0 313.489 3.732 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925663815 1023023050 /nfs/dbraw/zinc/02/30/50/1023023050.db2.gz AANVZVNYZTWYLJ-GOSISDBHSA-N 2 0 313.832 3.781 20 30 DHEDRP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172353982 1033136094 /nfs/dbraw/zinc/13/60/94/1033136094.db2.gz CUMISUIYPVCJAQ-HSALFYBXSA-N 2 0 323.569 3.836 20 30 DHEDRP CCCCCCC[C@@H](CC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172359415 1033139586 /nfs/dbraw/zinc/13/95/86/1033139586.db2.gz WJWCNDRXWDBWDS-GOSISDBHSA-N 2 0 310.526 3.826 20 30 DHEDRP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173141 1024267735 /nfs/dbraw/zinc/26/77/35/1024267735.db2.gz CSNPYLIDWKVNCB-QRVBRYPASA-N 2 0 314.473 3.617 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106322 1024332218 /nfs/dbraw/zinc/33/22/18/1024332218.db2.gz IQUXIXKJWDCGKQ-AQNXPRMDSA-N 2 0 311.473 3.713 20 30 DHEDRP C=CCC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464963 1024398526 /nfs/dbraw/zinc/39/85/26/1024398526.db2.gz HOYAHCJGASDBCT-MSOLQXFVSA-N 2 0 302.462 3.999 20 30 DHEDRP CC[NH+]1CCC(CC2CC[NH+]([C@@H](C)CCCC#N)CC2)CC1 ZINC001172498136 1033229785 /nfs/dbraw/zinc/22/97/85/1033229785.db2.gz JDKXQHCYIJUNRZ-KRWDZBQOSA-N 2 0 305.510 3.903 20 30 DHEDRP CCCCCCC[C@@H](CCC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172511073 1033237495 /nfs/dbraw/zinc/23/74/95/1033237495.db2.gz MIKDRBVGNZAVIW-LJQANCHMSA-N 2 0 311.558 3.695 20 30 DHEDRP C=CCCCCC[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001279272010 1024797855 /nfs/dbraw/zinc/79/78/55/1024797855.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 0 320.521 3.842 20 30 DHEDRP CC[C@H](C)CO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000793146009 1024914591 /nfs/dbraw/zinc/91/45/91/1024914591.db2.gz NVXFJOPXGYXZIB-INIZCTEOSA-N 2 0 317.477 3.614 20 30 DHEDRP CCC1([NH+]2CCCC2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931466217 1027134134 /nfs/dbraw/zinc/13/41/34/1027134134.db2.gz VNTNIPRHMHAWAO-UHFFFAOYSA-N 2 0 303.494 3.657 20 30 DHEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946538 1027443139 /nfs/dbraw/zinc/44/31/39/1027443139.db2.gz LNKFFGKJXFNRRR-VAMGGRTRSA-N 2 0 311.473 3.571 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000365598213 1027978520 /nfs/dbraw/zinc/97/85/20/1027978520.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 2 0 303.494 3.655 20 30 DHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000367900269 1028257271 /nfs/dbraw/zinc/25/72/71/1028257271.db2.gz JBYPOVDYJPHERD-AEFFLSMTSA-N 2 0 305.510 3.949 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000449303101 1028523944 /nfs/dbraw/zinc/52/39/44/1028523944.db2.gz WZMCJKFYNKGPER-CUYAVPTFSA-N 2 0 303.494 3.846 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000373862112 1029156444 /nfs/dbraw/zinc/15/64/44/1029156444.db2.gz FNDNEIMGDWZLAC-JYBIWHBTSA-N 2 0 320.521 3.600 20 30 DHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000373862113 1029157687 /nfs/dbraw/zinc/15/76/87/1029157687.db2.gz FNDNEIMGDWZLAC-LFGUQSLTSA-N 2 0 320.521 3.600 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000817964373 1029299855 /nfs/dbraw/zinc/29/98/55/1029299855.db2.gz AAFHRQPLZMOCDJ-HNNXBMFYSA-N 2 0 322.880 3.858 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817970756 1029310794 /nfs/dbraw/zinc/31/07/94/1029310794.db2.gz DLPJZUNYKWNPLC-OFQRWUPVSA-N 2 0 308.853 3.609 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970094 1029312363 /nfs/dbraw/zinc/31/23/63/1029312363.db2.gz LFJLGCYYZOBKTN-CWRNSKLLSA-N 2 0 308.853 3.738 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000817982256 1029320637 /nfs/dbraw/zinc/32/06/37/1029320637.db2.gz QEZUJMDXURONFB-LAUBAEHRSA-N 2 0 322.452 3.829 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854276 1030207020 /nfs/dbraw/zinc/20/70/20/1030207020.db2.gz GBONIDANXHSGTQ-INIZCTEOSA-N 2 0 305.510 3.949 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246313261 1030517166 /nfs/dbraw/zinc/51/71/66/1030517166.db2.gz YDKKMNAWHKILLT-ZWKOTPCHSA-N 2 0 311.558 3.774 20 30 DHEDRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000925883106 1030534416 /nfs/dbraw/zinc/53/44/16/1030534416.db2.gz VSEUWPXVYCWLKI-PCCBWWKXSA-N 2 0 319.452 3.658 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926550084 1030795253 /nfs/dbraw/zinc/79/52/53/1030795253.db2.gz KDFRYUINBQDJEJ-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)CC1CC1 ZINC000559147038 1031135119 /nfs/dbraw/zinc/13/51/19/1031135119.db2.gz RFELCKQZYOFMRQ-MOPGFXCFSA-N 2 0 303.494 3.513 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872139997 1031532553 /nfs/dbraw/zinc/53/25/53/1031532553.db2.gz VAVCAWGFYCUIAS-QIJZPMMNSA-N 2 0 310.485 3.679 20 30 DHEDRP C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836333 1031581602 /nfs/dbraw/zinc/58/16/02/1031581602.db2.gz MHBXJJMSXOCNRG-UZLBHIALSA-N 2 0 311.473 3.647 20 30 DHEDRP N#Cc1c(F)cccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000873072855 1031705403 /nfs/dbraw/zinc/70/54/03/1031705403.db2.gz CFKUZFZFEOMMCL-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877697275 1033413097 /nfs/dbraw/zinc/41/30/97/1033413097.db2.gz JYILVVQEGGRMSJ-SFHVURJKSA-N 2 0 313.489 3.818 20 30 DHEDRP N#Cc1cc(C[NH+]2C3CCC2CC3)cc(C[NH+]2C3CCC2CC3)c1 ZINC000877951288 1033528434 /nfs/dbraw/zinc/52/84/34/1033528434.db2.gz LCUQKPZPHCMTIP-UHFFFAOYSA-N 2 0 321.468 3.812 20 30 DHEDRP N#CCC1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173325616 1033685101 /nfs/dbraw/zinc/68/51/01/1033685101.db2.gz LOTAYTHTHFCZPW-SYYJFZTOSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CCOC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001173326946 1033688171 /nfs/dbraw/zinc/68/81/71/1033688171.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 2 0 320.521 3.839 20 30 DHEDRP C=CCOC1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173316160 1033709718 /nfs/dbraw/zinc/70/97/18/1033709718.db2.gz XOADGCCOLWQWRN-OLECLDRESA-N 2 0 308.510 3.634 20 30 DHEDRP CCC(CC)[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591424 1033780571 /nfs/dbraw/zinc/78/05/71/1033780571.db2.gz JOLFQEJGNKDLLV-UHFFFAOYSA-N 2 0 305.510 3.949 20 30 DHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000879250091 1033965763 /nfs/dbraw/zinc/96/57/63/1033965763.db2.gz MDNMUAKTCYQPET-UHFFFAOYSA-N 2 0 317.864 3.519 20 30 DHEDRP CC(C)C[N@@H+](Cc1ccc(CC#N)cc1)CC1CC[NH+](C)CC1 ZINC000879705045 1034091851 /nfs/dbraw/zinc/09/18/51/1034091851.db2.gz YSLJDCBIYJMDES-UHFFFAOYSA-N 2 0 313.489 3.552 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219321 1036295278 /nfs/dbraw/zinc/29/52/78/1036295278.db2.gz RPYKOEZJIVIXCF-LAUBAEHRSA-N 2 0 319.452 3.558 20 30 DHEDRP CN(c1ccccc1C=[NH+]OC1CCCC1)C1CC[NH+](C)CC1 ZINC000774602259 1036546504 /nfs/dbraw/zinc/54/65/04/1036546504.db2.gz GWPOHXZZMLNPDV-UHFFFAOYSA-N 2 0 315.461 3.510 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443960171 1036913484 /nfs/dbraw/zinc/91/34/84/1036913484.db2.gz CITQQYOOOHDPFY-UHFFFAOYSA-N 2 0 307.441 3.608 20 30 DHEDRP Cc1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)ccc1C#N ZINC000444000760 1036996101 /nfs/dbraw/zinc/99/61/01/1036996101.db2.gz IHWUILTVBWLJPQ-NRFANRHFSA-N 2 0 319.452 3.621 20 30 DHEDRP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775393863 1038333659 /nfs/dbraw/zinc/33/36/59/1038333659.db2.gz BSAGHQSYJWGYMU-HOTGVXAUSA-N 2 0 302.462 3.906 20 30 DHEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000591577900 1038937241 /nfs/dbraw/zinc/93/72/41/1038937241.db2.gz ZVRCWBJYARZIKB-XOBRGWDASA-N 2 0 305.425 3.745 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582335 1038939719 /nfs/dbraw/zinc/93/97/19/1038939719.db2.gz ISPXQQYWOJOXPU-MJGOQNOKSA-N 2 0 309.457 3.590 20 30 DHEDRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404021 1039448253 /nfs/dbraw/zinc/44/82/53/1039448253.db2.gz UTMZGFAFOLPTNI-DQLDELGASA-N 2 0 319.452 3.554 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924097 1039929502 /nfs/dbraw/zinc/92/95/02/1039929502.db2.gz NEIRZGWODLJAOH-QGZVFWFLSA-N 2 0 313.489 3.842 20 30 DHEDRP C=CCCSCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000594959985 1039966526 /nfs/dbraw/zinc/96/65/26/1039966526.db2.gz HKIKMNHXJSYGCZ-UHFFFAOYSA-N 2 0 318.530 3.592 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000602514734 1041063229 /nfs/dbraw/zinc/06/32/29/1041063229.db2.gz LVASOTZJXDYWFR-MSOLQXFVSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660273 1041144987 /nfs/dbraw/zinc/14/49/87/1041144987.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 2 0 311.473 3.524 20 30 DHEDRP C=CCC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526970 332351513 /nfs/dbraw/zinc/35/15/13/332351513.db2.gz JPXQGRRXIHRPNU-FGTMMUONSA-N 2 0 320.477 3.766 20 30 DHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176943266 332964830 /nfs/dbraw/zinc/96/48/30/332964830.db2.gz YWCJUOAIQPYUPW-UHFFFAOYSA-N 2 0 313.470 3.751 20 30 DHEDRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763584 333172097 /nfs/dbraw/zinc/17/20/97/333172097.db2.gz YEHDRVXLEFXEHA-CRAIPNDOSA-N 2 0 317.477 3.606 20 30 DHEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414528986 334008100 /nfs/dbraw/zinc/00/81/00/334008100.db2.gz BTJWLINFXJJXAB-HXUWFJFHSA-N 2 0 321.468 3.827 20 30 DHEDRP C=CCOc1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415064502 334262526 /nfs/dbraw/zinc/26/25/26/334262526.db2.gz KVBUXIGUJWLQKN-HXUWFJFHSA-N 2 0 310.441 3.821 20 30 DHEDRP C=CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000346142132 335380782 /nfs/dbraw/zinc/38/07/82/335380782.db2.gz ABQUQJPHWJCWAO-UHFFFAOYSA-N 2 0 318.424 3.764 20 30 DHEDRP C[N@H+](CCCCC#N)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726872 337386724 /nfs/dbraw/zinc/38/67/24/337386724.db2.gz OBCCHYXIUXUBHV-UHFFFAOYSA-N 2 0 313.489 3.914 20 30 DHEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423034375 337696501 /nfs/dbraw/zinc/69/65/01/337696501.db2.gz XNFOTGAQOSYOKA-KVSKMBFKSA-N 2 0 300.446 3.577 20 30 DHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439453254 338370045 /nfs/dbraw/zinc/37/00/45/338370045.db2.gz POSCRWBBWHJJLJ-UHFFFAOYSA-N 2 0 319.880 3.765 20 30 DHEDRP CCC(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC000449078460 338591258 /nfs/dbraw/zinc/59/12/58/338591258.db2.gz XSNMEDBRPOSIFK-JLAWEPINSA-N 2 0 305.510 3.949 20 30 DHEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000449299006 338610791 /nfs/dbraw/zinc/61/07/91/338610791.db2.gz JYQZPGHMZPQOFA-UHFFFAOYSA-N 2 0 305.510 3.949 20 30 DHEDRP C=C(C)CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000509032134 340258883 /nfs/dbraw/zinc/25/88/83/340258883.db2.gz MFJAQAYCYZGULE-INIZCTEOSA-N 2 0 319.468 3.584 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512659489 340371556 /nfs/dbraw/zinc/37/15/56/340371556.db2.gz HJPPCVDVOARMDD-LSDHHAIUSA-N 2 0 305.441 3.858 20 30 DHEDRP C=CCOc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000539851501 340906378 /nfs/dbraw/zinc/90/63/78/340906378.db2.gz YSMJULVDUHTXFG-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP C[C@H](CCNCc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000080206560 341270723 /nfs/dbraw/zinc/27/07/23/341270723.db2.gz BIAOYXIVUHCRAV-QGZVFWFLSA-N 2 0 307.441 3.558 20 30 DHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442721148 1014723596 /nfs/dbraw/zinc/72/35/96/1014723596.db2.gz UUPXUWHDQBHPST-NSISKUIASA-N 2 0 311.473 3.700 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000442790429 1014735686 /nfs/dbraw/zinc/73/56/86/1014735686.db2.gz GJDCIONIEOVHLE-XLIONFOSSA-N 2 0 311.473 3.844 20 30 DHEDRP C[C@@H]1CC([NH2+]CC(C)(C)S)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019713 1014955044 /nfs/dbraw/zinc/95/50/44/1014955044.db2.gz JMZXJZSLVJKDIB-HUUCEWRRSA-N 2 0 306.519 3.726 20 30 DHEDRP C[C@@H]1C[C@@H](NCc2cc(C#N)co2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037261 1015464084 /nfs/dbraw/zinc/46/40/84/1015464084.db2.gz ZIVSBYCETMXBJL-HGKCTWBKSA-N 2 0 323.440 3.682 20 30 DHEDRP C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444674380 1017625655 /nfs/dbraw/zinc/62/56/55/1017625655.db2.gz PBZOBQYMTQEOAO-IAGOWNOFSA-N 2 0 305.510 3.949 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523862960 1017812724 /nfs/dbraw/zinc/81/27/24/1017812724.db2.gz FBRVBGOJKWIPDP-GOSISDBHSA-N 2 0 304.478 3.707 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCSCC#N)CC1 ZINC000158954337 1018963777 /nfs/dbraw/zinc/96/37/77/1018963777.db2.gz FGZBFMYMNJRWTQ-KRWDZBQOSA-N 2 0 323.550 3.610 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261120 1019075471 /nfs/dbraw/zinc/07/54/71/1019075471.db2.gz UVRYOVHXJYYJKM-KRWDZBQOSA-N 2 0 313.489 3.651 20 30 DHEDRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc3ccccc3n2)CC1(C)C ZINC001171624296 1032808271 /nfs/dbraw/zinc/80/82/71/1032808271.db2.gz OLHNPEXTQXFOKA-UHFFFAOYSA-N 2 0 324.472 3.592 20 30 DHEDRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390993 1019474031 /nfs/dbraw/zinc/47/40/31/1019474031.db2.gz LXVKWXMBNZOEBZ-OXJNMPFZSA-N 2 0 311.473 3.647 20 30 DHEDRP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000174305864 1020968414 /nfs/dbraw/zinc/96/84/14/1020968414.db2.gz INFIRVREQYSIIJ-UHFFFAOYSA-N 2 0 313.489 3.818 20 30 DHEDRP C[C@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229565 1022226514 /nfs/dbraw/zinc/22/65/14/1022226514.db2.gz IOZFCFSOWMIYRN-UWJYYQICSA-N 2 0 319.452 3.558 20 30 DHEDRP C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728021 1022446829 /nfs/dbraw/zinc/44/68/29/1022446829.db2.gz FRZYTGHPCCJKPM-CXAGYDPISA-N 2 0 314.408 3.659 20 30 DHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172299209 1033104200 /nfs/dbraw/zinc/10/42/00/1033104200.db2.gz KFJBDZUVTXVFLV-QZTJIDSGSA-N 2 0 321.468 3.586 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172480659 1033192780 /nfs/dbraw/zinc/19/27/80/1033192780.db2.gz WNFWSRSCVIWHDY-GSEOLPGOSA-N 2 0 311.473 3.569 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106323 1024334035 /nfs/dbraw/zinc/33/40/35/1024334035.db2.gz IQUXIXKJWDCGKQ-VAMGGRTRSA-N 2 0 311.473 3.713 20 30 DHEDRP C=CCC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464964 1024399208 /nfs/dbraw/zinc/39/92/08/1024399208.db2.gz HOYAHCJGASDBCT-QZTJIDSGSA-N 2 0 302.462 3.999 20 30 DHEDRP CCCCCCC[C@@H](CCC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172500659 1033228336 /nfs/dbraw/zinc/22/83/36/1033228336.db2.gz BYCOLKADUVOTNW-LJQANCHMSA-N 2 0 312.542 3.810 20 30 DHEDRP CCCCCCCC[C@H](CC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172502945 1033231815 /nfs/dbraw/zinc/23/18/15/1033231815.db2.gz NXOYONAXSARPFE-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc3c[nH+]cn3c2)cc1 ZINC000263172618 1024823903 /nfs/dbraw/zinc/82/39/03/1024823903.db2.gz SGONVASLEMJVOD-AWEZNQCLSA-N 2 0 321.428 3.775 20 30 DHEDRP C=CCN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894228441 1026527934 /nfs/dbraw/zinc/52/79/34/1026527934.db2.gz DFNLBLOXAOVKPF-UHFFFAOYSA-N 2 0 321.877 3.690 20 30 DHEDRP CC1([NH+]2CCCCC2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931612561 1027188079 /nfs/dbraw/zinc/18/80/79/1027188079.db2.gz QRRTXOOWPSYYQW-UHFFFAOYSA-N 2 0 303.494 3.657 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423018714 1027393799 /nfs/dbraw/zinc/39/37/99/1027393799.db2.gz RXPMUHYFCZBKCV-YOFSQIOKSA-N 2 0 317.436 3.598 20 30 DHEDRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614653 1027775775 /nfs/dbraw/zinc/77/57/75/1027775775.db2.gz UTFVRKPWNLCLHW-HXUWFJFHSA-N 2 0 311.473 3.612 20 30 DHEDRP Cc1nccn1CCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367296625 1028160831 /nfs/dbraw/zinc/16/08/31/1028160831.db2.gz RBCJGPZBLBCQON-UHFFFAOYSA-N 2 0 320.440 3.633 20 30 DHEDRP C[N@@H+]1CCC[C@H](C[NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000367488983 1028191436 /nfs/dbraw/zinc/19/14/36/1028191436.db2.gz HQBMMSUXIAKFFE-RTBURBONSA-N 2 0 313.489 3.989 20 30 DHEDRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000368649700 1028389328 /nfs/dbraw/zinc/38/93/28/1028389328.db2.gz HYOFVDQLPHHATE-GSEOLPGOSA-N 2 0 311.473 3.569 20 30 DHEDRP C=C(C)COCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190436 1028426473 /nfs/dbraw/zinc/42/64/73/1028426473.db2.gz RBDYEBHPUAYKDV-UHFFFAOYSA-N 2 0 310.526 3.848 20 30 DHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000579532860 1028431521 /nfs/dbraw/zinc/43/15/21/1028431521.db2.gz DSUJNVIMCSHOTA-FQEVSTJZSA-N 2 0 311.473 3.791 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678894 1028880521 /nfs/dbraw/zinc/88/05/21/1028880521.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 2 0 305.510 3.903 20 30 DHEDRP CCCCCCCCN(CC[NH3+])[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246313236 1030518412 /nfs/dbraw/zinc/51/84/12/1030518412.db2.gz YDKKMNAWHKILLT-MSOLQXFVSA-N 2 0 311.558 3.774 20 30 DHEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312926 1030694486 /nfs/dbraw/zinc/69/44/86/1030694486.db2.gz CCCSGZIXSAUUFO-YCRPNKLZSA-N 2 0 319.452 3.958 20 30 DHEDRP C#Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226569 1030751557 /nfs/dbraw/zinc/75/15/57/1030751557.db2.gz KFNVKTUXVWVDAR-GCJKJVERSA-N 2 0 318.464 3.668 20 30 DHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248756621 1030766790 /nfs/dbraw/zinc/76/67/90/1030766790.db2.gz GGMIWYUZHYEQEB-OWBSXZKWSA-N 2 0 323.484 3.854 20 30 DHEDRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001173109951 1033545931 /nfs/dbraw/zinc/54/59/31/1033545931.db2.gz KRZNMNRDTDAUES-UHFFFAOYSA-N 2 0 319.880 3.954 20 30 DHEDRP C=CCOC1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173320945 1033685368 /nfs/dbraw/zinc/68/53/68/1033685368.db2.gz UJOQBMQOXNGQHS-XEVCZEQESA-N 2 0 320.521 3.841 20 30 DHEDRP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173590572 1033780747 /nfs/dbraw/zinc/78/07/47/1033780747.db2.gz CKCITWPCUVLNNX-UHFFFAOYSA-N 2 0 305.510 3.807 20 30 DHEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057197 1034114161 /nfs/dbraw/zinc/11/41/61/1034114161.db2.gz AQXRAFLNLZCMEL-VQTJNVASSA-N 2 0 323.484 3.667 20 30 DHEDRP CCCCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000863539924 1034123059 /nfs/dbraw/zinc/12/30/59/1034123059.db2.gz NMZVXVORHSYSRL-MJGOQNOKSA-N 2 0 302.462 3.802 20 30 DHEDRP C=CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC001179158771 1035468229 /nfs/dbraw/zinc/46/82/29/1035468229.db2.gz BKUTWGPMBCESOY-UHFFFAOYSA-N 2 0 302.462 3.606 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000668552590 1035973517 /nfs/dbraw/zinc/97/35/17/1035973517.db2.gz PFNADVGTJAGREX-MJGOQNOKSA-N 2 0 320.521 3.744 20 30 DHEDRP C=C(Cl)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762927721 1037077998 /nfs/dbraw/zinc/07/79/98/1037077998.db2.gz UVCQJYXBMMTMRU-UHFFFAOYSA-N 2 0 304.865 3.727 20 30 DHEDRP C=CCN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502878 1038596873 /nfs/dbraw/zinc/59/68/73/1038596873.db2.gz XNOJAVKGUFEQHC-INIZCTEOSA-N 2 0 308.853 3.737 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000591573420 1038937361 /nfs/dbraw/zinc/93/73/61/1038937361.db2.gz UKKXBHMARVZFIK-RYQLBKOJSA-N 2 0 317.864 3.612 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000591582568 1038939468 /nfs/dbraw/zinc/93/94/68/1038939468.db2.gz LQSQBCQICDUKEU-GPJFCIFZSA-N 2 0 323.484 3.655 20 30 DHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1C ZINC000599660276 1039261766 /nfs/dbraw/zinc/26/17/66/1039261766.db2.gz LTCJRYKQTJPRSV-UHFFFAOYSA-N 2 0 321.468 3.950 20 30 DHEDRP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCCC1 ZINC000594495182 1039796328 /nfs/dbraw/zinc/79/63/28/1039796328.db2.gz NFSWIWSIXSAXCH-KRWDZBQOSA-N 2 0 313.489 3.699 20 30 DHEDRP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000594501413 1039804947 /nfs/dbraw/zinc/80/49/47/1039804947.db2.gz VNPJSUQFWDQLKG-QGZVFWFLSA-N 2 0 313.489 3.842 20 30 DHEDRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607516 1039869644 /nfs/dbraw/zinc/86/96/44/1039869644.db2.gz WRJLRJCMKZHGSI-UHFFFAOYSA-N 2 0 301.478 3.651 20 30 DHEDRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607462 1039870332 /nfs/dbraw/zinc/87/03/32/1039870332.db2.gz VOLLOTNKJIRMEY-UHFFFAOYSA-N 2 0 313.489 3.796 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918354 1039926120 /nfs/dbraw/zinc/92/61/20/1039926120.db2.gz NZRCQUFOQMKMGS-KRWDZBQOSA-N 2 0 311.473 3.596 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105746 1040065587 /nfs/dbraw/zinc/06/55/87/1040065587.db2.gz XWEHQNIWZAPONF-OAQYLSRUSA-N 2 0 323.484 3.647 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643410 1041129774 /nfs/dbraw/zinc/12/97/74/1041129774.db2.gz QOAGSVLPYOQBHB-IEBWSBKVSA-N 2 0 309.457 3.638 20 30 DHEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309778941 333196707 /nfs/dbraw/zinc/19/67/07/333196707.db2.gz KDNITOXWBNAZMV-MJGOQNOKSA-N 2 0 313.489 3.817 20 30 DHEDRP CN(Cc1ccccc1)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223319 333205827 /nfs/dbraw/zinc/20/58/27/333205827.db2.gz ZMYWPLURFWVIHF-IBGZPJMESA-N 2 0 313.489 3.817 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000192783765 333292774 /nfs/dbraw/zinc/29/27/74/333292774.db2.gz HBLBNXLSQSWQAS-DLBZAZTESA-N 2 0 317.502 3.632 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415063939 334262290 /nfs/dbraw/zinc/26/22/90/334262290.db2.gz JGQHLNBCDBFJHH-HXUWFJFHSA-N 2 0 310.441 3.821 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000378476354 337073766 /nfs/dbraw/zinc/07/37/66/337073766.db2.gz RYBGWRKQEJNDNT-NZSAHSFTSA-N 2 0 318.509 3.528 20 30 DHEDRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000181917724 525426688 /nfs/dbraw/zinc/42/66/88/525426688.db2.gz NHDJFFSBVFIIDP-MRXNPFEDSA-N 2 0 320.440 3.520 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442706548 1014718795 /nfs/dbraw/zinc/71/87/95/1014718795.db2.gz DUOUXNQHUJIKHR-MBOZVWFJSA-N 2 0 311.473 3.843 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000341703958 1015685051 /nfs/dbraw/zinc/68/50/51/1015685051.db2.gz CYMSQYAEIBULIE-OAQYLSRUSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@H](CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422580 1032230027 /nfs/dbraw/zinc/23/00/27/1032230027.db2.gz ANJDAHAGRYCATJ-OXQOHEQNSA-N 2 0 311.473 3.790 20 30 DHEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613251 1017575422 /nfs/dbraw/zinc/57/54/22/1017575422.db2.gz JQSHEYRFIGDODN-PXNSSMCTSA-N 2 0 313.489 3.628 20 30 DHEDRP C=C(C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000675783680 1018589959 /nfs/dbraw/zinc/58/99/59/1018589959.db2.gz POELVQSAEQTVCM-GOSISDBHSA-N 2 0 324.468 3.991 20 30 DHEDRP N#Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000921513748 1018803765 /nfs/dbraw/zinc/80/37/65/1018803765.db2.gz UVSHZRDKGLVKQK-UHFFFAOYSA-N 2 0 311.454 3.505 20 30 DHEDRP C[NH+]1C(C)(C)CC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1(C)C ZINC001171631133 1032795217 /nfs/dbraw/zinc/79/52/17/1032795217.db2.gz FHHHDEBYQMTNCD-UHFFFAOYSA-N 2 0 311.473 3.568 20 30 DHEDRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393556 1019468071 /nfs/dbraw/zinc/46/80/71/1019468071.db2.gz WUWABRPVDHMLGU-OALUTQOASA-N 2 0 313.489 3.892 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096628 1019663270 /nfs/dbraw/zinc/66/32/70/1019663270.db2.gz FRLWBDHOGSKRGH-UWJYYQICSA-N 2 0 319.452 3.558 20 30 DHEDRP CC(C)(CC#N)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414175306 1020963030 /nfs/dbraw/zinc/96/30/30/1020963030.db2.gz YZMCZMQGDOZUDM-REPLKXPHSA-N 2 0 311.473 3.711 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000181513449 1021223381 /nfs/dbraw/zinc/22/33/81/1021223381.db2.gz NEIUCLSQZXIKGU-KSZLIROESA-N 2 0 313.489 3.967 20 30 DHEDRP CC1(C)C[C@@H]([NH+]2CCC(S)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987795 1032969615 /nfs/dbraw/zinc/96/96/15/1032969615.db2.gz JVPWNXFLCGDIIN-KRWDZBQOSA-N 2 0 318.530 3.824 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181866807 1021376866 /nfs/dbraw/zinc/37/68/66/1021376866.db2.gz ZKNGHZLRJSBLTA-KRWDZBQOSA-N 2 0 313.489 3.967 20 30 DHEDRP CCCC[N@H+](C)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000156244370 1022449877 /nfs/dbraw/zinc/44/98/77/1022449877.db2.gz PTGYCNMLYYYEGX-UHFFFAOYSA-N 2 0 316.464 3.621 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001172300871 1033073924 /nfs/dbraw/zinc/07/39/24/1033073924.db2.gz IKKWMFCXZXVSMP-MOXGXCLJSA-N 2 0 313.489 3.623 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566807169 1023234670 /nfs/dbraw/zinc/23/46/70/1023234670.db2.gz FZVZDMMJLIILCR-RTBURBONSA-N 2 0 305.425 3.585 20 30 DHEDRP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000531415889 1024144013 /nfs/dbraw/zinc/14/40/13/1024144013.db2.gz XTJADBFYDLQAHC-UHFFFAOYSA-N 2 0 318.892 3.744 20 30 DHEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121542 1024179711 /nfs/dbraw/zinc/17/97/11/1024179711.db2.gz NDOBCDZMEWTWDI-HUYLIWGRSA-N 2 0 311.473 3.819 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000809631874 1026578799 /nfs/dbraw/zinc/57/87/99/1026578799.db2.gz DZXANLDETAAZOZ-UHFFFAOYSA-N 2 0 306.453 3.798 20 30 DHEDRP C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635250 1026579700 /nfs/dbraw/zinc/57/97/00/1026579700.db2.gz VCXDQTNZSSIPCI-XMSQKQJNSA-N 2 0 318.464 3.668 20 30 DHEDRP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000104162930 1026599306 /nfs/dbraw/zinc/59/93/06/1026599306.db2.gz CGXFKXDDWAXDEZ-UHFFFAOYSA-N 2 0 324.472 3.762 20 30 DHEDRP C=CCOc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809737772 1026611350 /nfs/dbraw/zinc/61/13/50/1026611350.db2.gz KMJLTXONNXQHCI-UHFFFAOYSA-N 2 0 324.468 3.945 20 30 DHEDRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000809738929 1026611712 /nfs/dbraw/zinc/61/17/12/1026611712.db2.gz PSQFMPDYXCTZIZ-UHFFFAOYSA-N 2 0 307.441 3.560 20 30 DHEDRP CC(C)C[N@H+](CC1CCC(C#N)CC1)CC1CC[NH+](C)CC1 ZINC000931563654 1027171483 /nfs/dbraw/zinc/17/14/83/1027171483.db2.gz IRCLSYSHOTVSPJ-UHFFFAOYSA-N 2 0 305.510 3.616 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423099518 1027414662 /nfs/dbraw/zinc/41/46/62/1027414662.db2.gz FIRNOECBBMRLFF-VAMGGRTRSA-N 2 0 314.473 3.652 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946535 1027443509 /nfs/dbraw/zinc/44/35/09/1027443509.db2.gz LNKFFGKJXFNRRR-AABGKKOBSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423193720 1027453623 /nfs/dbraw/zinc/45/36/23/1027453623.db2.gz WAQXWPMMBRXXHM-CRAIPNDOSA-N 2 0 309.457 3.687 20 30 DHEDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138773 1028003163 /nfs/dbraw/zinc/00/31/63/1028003163.db2.gz YDPAGBOAGVCSRX-HKUYNNGSSA-N 2 0 313.489 3.674 20 30 DHEDRP C=CCCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565226977 1028559853 /nfs/dbraw/zinc/55/98/53/1028559853.db2.gz PSQGMVVMDRMSJH-IEBWSBKVSA-N 2 0 300.446 3.578 20 30 DHEDRP CCCCCCCCCC[C@H](C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001257548731 1029147538 /nfs/dbraw/zinc/14/75/38/1029147538.db2.gz YKGKVZGLMCFVRD-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817948046 1029292370 /nfs/dbraw/zinc/29/23/70/1029292370.db2.gz SUHDYOOLVSQAQL-YQQAZPJKSA-N 2 0 322.880 3.857 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000817963528 1029301930 /nfs/dbraw/zinc/30/19/30/1029301930.db2.gz TXFDKZOZBPSLOG-HOTGVXAUSA-N 2 0 308.425 3.569 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976012 1029313409 /nfs/dbraw/zinc/31/34/09/1029313409.db2.gz DMYVUZNPDSZQRU-RHSMWYFYSA-N 2 0 320.864 3.611 20 30 DHEDRP C=CCOc1ccccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765636 1030014770 /nfs/dbraw/zinc/01/47/70/1030014770.db2.gz FCLFWPTXFLPVHY-UHFFFAOYSA-N 2 0 302.462 3.604 20 30 DHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924707580 1030168350 /nfs/dbraw/zinc/16/83/50/1030168350.db2.gz MPTYYWPSNMMZPF-MRXNPFEDSA-N 2 0 301.478 3.946 20 30 DHEDRP C=CCC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccco1 ZINC000925886212 1030534364 /nfs/dbraw/zinc/53/43/64/1030534364.db2.gz DGGZZTMOHYDOEB-CMKODMSKSA-N 2 0 310.441 3.936 20 30 DHEDRP CCCCCCCCCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC001246407131 1030721017 /nfs/dbraw/zinc/72/10/17/1030721017.db2.gz WQLSFVLRTAUZMW-SFHVURJKSA-N 2 0 311.558 3.918 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926626061 1030828017 /nfs/dbraw/zinc/82/80/17/1030828017.db2.gz GKBOAXFRZKLPNU-INIZCTEOSA-N 2 0 307.441 3.665 20 30 DHEDRP CCC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820732 1031576296 /nfs/dbraw/zinc/57/62/96/1031576296.db2.gz KIWLIYSAPKBOMP-FQEVSTJZSA-N 2 0 311.473 3.790 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360828761 1031578479 /nfs/dbraw/zinc/57/84/79/1031578479.db2.gz AHSDZUYCNOEMOR-BJLQDIEVSA-N 2 0 309.457 3.542 20 30 DHEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831437 1031578592 /nfs/dbraw/zinc/57/85/92/1031578592.db2.gz FIHWXTFNLAHGLT-FXAWDEMLSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836328 1031581936 /nfs/dbraw/zinc/58/19/36/1031581936.db2.gz MHBXJJMSXOCNRG-OXJNMPFZSA-N 2 0 311.473 3.647 20 30 DHEDRP [NH2+]=C(Nc1ccc(C2([NH3+])CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171183923 1031593554 /nfs/dbraw/zinc/59/35/54/1031593554.db2.gz BSFLDXSIAXFRLX-UHFFFAOYSA-N 2 0 317.392 3.530 20 30 DHEDRP C/C(N[C@@H]1CCc2ccc(C)cc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172839703 1033408942 /nfs/dbraw/zinc/40/89/42/1033408942.db2.gz WLRAFGVRWVQMFG-OAQYLSRUSA-N 2 0 321.468 3.519 20 30 DHEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173591742 1033782531 /nfs/dbraw/zinc/78/25/31/1033782531.db2.gz RAGSXBMNWQGICN-UHFFFAOYSA-N 2 0 317.521 3.951 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588632 1035790550 /nfs/dbraw/zinc/79/05/50/1035790550.db2.gz PBEHSTCJIDBGRL-KRWDZBQOSA-N 2 0 305.510 3.903 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219316 1036334097 /nfs/dbraw/zinc/33/40/97/1036334097.db2.gz RPYKOEZJIVIXCF-DYESRHJHSA-N 2 0 319.452 3.558 20 30 DHEDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271984642 1036830857 /nfs/dbraw/zinc/83/08/57/1036830857.db2.gz ZXYPVLVDGZMUJL-AWEZNQCLSA-N 2 0 311.404 3.610 20 30 DHEDRP C=C(C)c1ccccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667023 1037820854 /nfs/dbraw/zinc/82/08/54/1037820854.db2.gz KOMANGLEEKMBJA-UHFFFAOYSA-N 2 0 308.429 3.610 20 30 DHEDRP CCCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201814897 1037901993 /nfs/dbraw/zinc/90/19/93/1037901993.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 0 320.525 3.899 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000590260666 1038612352 /nfs/dbraw/zinc/61/23/52/1038612352.db2.gz MCOPYEXIOXGGNR-HXUWFJFHSA-N 2 0 311.473 3.791 20 30 DHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000591573416 1038937216 /nfs/dbraw/zinc/93/72/16/1038937216.db2.gz UKKXBHMARVZFIK-CGTJXYLNSA-N 2 0 317.864 3.612 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582334 1038938510 /nfs/dbraw/zinc/93/85/10/1038938510.db2.gz ISPXQQYWOJOXPU-IEBWSBKVSA-N 2 0 309.457 3.590 20 30 DHEDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071867 1039028686 /nfs/dbraw/zinc/02/86/86/1039028686.db2.gz UZCDRHCYSZNURH-FXAWDEMLSA-N 2 0 311.473 3.647 20 30 DHEDRP CC1(C)CC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC(C)(C)[NH2+]1 ZINC000594921831 1039927508 /nfs/dbraw/zinc/92/75/08/1039927508.db2.gz UONIXCYHMGADHE-UHFFFAOYSA-N 2 0 311.473 3.641 20 30 DHEDRP C[C@H](CCC#N)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602569663 1041099867 /nfs/dbraw/zinc/09/98/67/1041099867.db2.gz RAVAJVCPBLUYLU-XSYGEPLQSA-N 2 0 313.489 3.672 20 30 DHEDRP N#CCC1(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643411 1041129126 /nfs/dbraw/zinc/12/91/26/1041129126.db2.gz QOAGSVLPYOQBHB-MJGOQNOKSA-N 2 0 309.457 3.638 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602789667 1041212651 /nfs/dbraw/zinc/21/26/51/1041212651.db2.gz YALMDPWPGUZAHN-QGZVFWFLSA-N 2 0 303.494 3.657 20 30 DHEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285526460 131177864 /nfs/dbraw/zinc/17/78/64/131177864.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 0 311.429 3.666 20 30 DHEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526966 332351443 /nfs/dbraw/zinc/35/14/43/332351443.db2.gz JPXQGRRXIHRPNU-BZSNNMDCSA-N 2 0 320.477 3.766 20 30 DHEDRP Cc1nccn1-c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1F ZINC000174305069 333084746 /nfs/dbraw/zinc/08/47/46/333084746.db2.gz XJLGVDDILQZOOC-UHFFFAOYSA-N 2 0 314.408 3.739 20 30 DHEDRP N#CCCCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183137832 333183204 /nfs/dbraw/zinc/18/32/04/333183204.db2.gz QCXCIBGJEMDRGT-AQNXPRMDSA-N 2 0 311.473 3.571 20 30 DHEDRP C=C(C)[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318375 335152896 /nfs/dbraw/zinc/15/28/96/335152896.db2.gz CDNKJYYZKWGPNG-GOSISDBHSA-N 2 0 306.400 3.798 20 30 DHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000293784229 334202194 /nfs/dbraw/zinc/20/21/94/334202194.db2.gz TWTCFLZURWZUFG-KRWDZBQOSA-N 2 0 315.461 3.506 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414966585 334214298 /nfs/dbraw/zinc/21/42/98/334214298.db2.gz GUQZSNBFNLMFGJ-OAHLLOKOSA-N 2 0 308.853 3.527 20 30 DHEDRP CCCCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182568146 337189026 /nfs/dbraw/zinc/18/90/26/337189026.db2.gz CAIZZAJUKKCKSU-YOFSQIOKSA-N 2 0 321.553 3.590 20 30 DHEDRP C[C@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000120174969 337395457 /nfs/dbraw/zinc/39/54/57/337395457.db2.gz TTYWVTJPYSXOLS-PKOBYXMFSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423013785 337695664 /nfs/dbraw/zinc/69/56/64/337695664.db2.gz GSNFJXHMDZSPIF-KKSFZXQISA-N 2 0 319.452 3.703 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423490726 337722544 /nfs/dbraw/zinc/72/25/44/337722544.db2.gz YCTGTAVNYNMFHZ-HDYDNRTBSA-N 2 0 311.473 3.512 20 30 DHEDRP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667905 340371980 /nfs/dbraw/zinc/37/19/80/340371980.db2.gz RUWOZVFDSFEMBP-GUYCJALGSA-N 2 0 305.441 3.714 20 30 DHEDRP C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667904 340372121 /nfs/dbraw/zinc/37/21/21/340372121.db2.gz RUWOZVFDSFEMBP-DYVFJYSZSA-N 2 0 305.441 3.714 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000521817685 340533488 /nfs/dbraw/zinc/53/34/88/340533488.db2.gz LKEUJQAUIADFEC-QZTJIDSGSA-N 2 0 316.489 3.709 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134182883 341208781 /nfs/dbraw/zinc/20/87/81/341208781.db2.gz FKFUQHUMDTWAPM-UHFFFAOYSA-N 2 0 314.473 3.559 20 30 DHEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234375 /nfs/dbraw/zinc/23/43/75/341234375.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 0 313.489 3.794 20 30 DHEDRP C#CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139354 /nfs/dbraw/zinc/13/93/54/1013139354.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 2 0 316.514 3.694 20 30 DHEDRP N#Cc1csc(C[NH2+]CCCCCCC[NH+]2CCCC2)c1 ZINC000748099511 1013288937 /nfs/dbraw/zinc/28/89/37/1013288937.db2.gz UCLYPQQCAQUCCK-UHFFFAOYSA-N 2 0 305.491 3.756 20 30 DHEDRP N#Cc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970977 1013385699 /nfs/dbraw/zinc/38/56/99/1013385699.db2.gz RFROFVZSPKRCNW-GKTUAVMOSA-N 2 0 321.468 3.541 20 30 DHEDRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019716 1014953623 /nfs/dbraw/zinc/95/36/23/1014953623.db2.gz JMZXJZSLVJKDIB-SCAQPMJSSA-N 2 0 306.519 3.726 20 30 DHEDRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443985369 1016566810 /nfs/dbraw/zinc/56/68/10/1016566810.db2.gz UGSRDPHLMVKLNK-CALCHBBNSA-N 2 0 313.489 3.714 20 30 DHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000092588090 1032504429 /nfs/dbraw/zinc/50/44/29/1032504429.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 2 0 305.510 3.903 20 30 DHEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000092587881 1032504571 /nfs/dbraw/zinc/50/45/71/1032504571.db2.gz MVPGMPBMKWDVST-SFHVURJKSA-N 2 0 305.510 3.760 20 30 DHEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424318226 1011976477 /nfs/dbraw/zinc/97/64/77/1011976477.db2.gz CUHCAFLNUVZHSB-DOTOQJQBSA-N 2 0 305.510 3.947 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424324911 1011982794 /nfs/dbraw/zinc/98/27/94/1011982794.db2.gz KKEGMVQRNMBLQN-YMQHIKHWSA-N 2 0 323.484 3.569 20 30 DHEDRP C/C(N[C@@H]1CCc2c(C)cccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171564311 1032784220 /nfs/dbraw/zinc/78/42/20/1032784220.db2.gz XYAGDOYLVHDRLY-HXUWFJFHSA-N 2 0 321.468 3.519 20 30 DHEDRP N#Cc1ccc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903824979 1018782529 /nfs/dbraw/zinc/78/25/29/1018782529.db2.gz WOTQGTJCCXLDTL-PRJVBOEPSA-N 2 0 323.484 3.658 20 30 DHEDRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392277 1019465225 /nfs/dbraw/zinc/46/52/25/1019465225.db2.gz PPMCHRYNUGHLRD-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP C=CCOc1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482802 1020590764 /nfs/dbraw/zinc/59/07/64/1020590764.db2.gz ABKNDWHVGKPMDY-UHFFFAOYSA-N 2 0 320.864 3.621 20 30 DHEDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174646 1020963087 /nfs/dbraw/zinc/96/30/87/1020963087.db2.gz GQZZHKNYHGCWJL-OXQOHEQNSA-N 2 0 311.473 3.647 20 30 DHEDRP CC(C)(S)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077272 1032980349 /nfs/dbraw/zinc/98/03/49/1032980349.db2.gz QNUBPJQWKALPSC-BCDXTJNWSA-N 2 0 318.530 3.870 20 30 DHEDRP Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212429 1033100466 /nfs/dbraw/zinc/10/04/66/1033100466.db2.gz JRCCLBAXEZBYRR-UHFFFAOYSA-N 2 0 307.441 3.560 20 30 DHEDRP C[C@H](CCCC#N)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001172476890 1033191717 /nfs/dbraw/zinc/19/17/17/1033191717.db2.gz SGZGGFBBQKMQKQ-GOSISDBHSA-N 2 0 313.489 3.961 20 30 DHEDRP CC1(C)CN(CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019406 1024276902 /nfs/dbraw/zinc/27/69/02/1024276902.db2.gz OWDFZBAGEUUAQQ-LJQANCHMSA-N 2 0 311.473 3.523 20 30 DHEDRP C[N@H+](CCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C1CC1 ZINC000453403779 1024500796 /nfs/dbraw/zinc/50/07/96/1024500796.db2.gz OWUMMGKNMYDGGK-FQEVSTJZSA-N 2 0 311.473 3.790 20 30 DHEDRP CCCCCCC[C@H](CCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172503182 1033232893 /nfs/dbraw/zinc/23/28/93/1033232893.db2.gz WKAFFNSAXAPRTF-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP N#CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353669507 1025191288 /nfs/dbraw/zinc/19/12/88/1025191288.db2.gz CPLVAENJDRGJSF-VAMGGRTRSA-N 2 0 311.473 3.571 20 30 DHEDRP N#CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669505 1025192056 /nfs/dbraw/zinc/19/20/56/1025192056.db2.gz CPLVAENJDRGJSF-HSALFYBXSA-N 2 0 311.473 3.571 20 30 DHEDRP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809610791 1026562904 /nfs/dbraw/zinc/56/29/04/1026562904.db2.gz DYESSMCUBAUSEY-JOCHJYFZSA-N 2 0 318.464 3.670 20 30 DHEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193643 1026705827 /nfs/dbraw/zinc/70/58/27/1026705827.db2.gz PFYIDFYOESMIAI-TXPKVOOTSA-N 2 0 311.473 3.862 20 30 DHEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000618801450 1026791262 /nfs/dbraw/zinc/79/12/62/1026791262.db2.gz AYAZCLVVPRMCRV-OAQYLSRUSA-N 2 0 323.484 3.932 20 30 DHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000421356941 1026971259 /nfs/dbraw/zinc/97/12/59/1026971259.db2.gz YVBMVJFHPQWURB-KDOFPFPSSA-N 2 0 317.502 3.752 20 30 DHEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422987451 1027385094 /nfs/dbraw/zinc/38/50/94/1027385094.db2.gz IKIRWEYGKGWQQQ-OALUTQOASA-N 2 0 323.465 3.526 20 30 DHEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423013784 1027388991 /nfs/dbraw/zinc/38/89/91/1027388991.db2.gz GSNFJXHMDZSPIF-IIBYNOLFSA-N 2 0 319.452 3.703 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423015918 1027390338 /nfs/dbraw/zinc/39/03/38/1027390338.db2.gz LWKNDKACOSPDIB-UHFFFAOYSA-N 2 0 319.452 3.832 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946536 1027442711 /nfs/dbraw/zinc/44/27/11/1027442711.db2.gz LNKFFGKJXFNRRR-AQNXPRMDSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423193722 1027451704 /nfs/dbraw/zinc/45/17/04/1027451704.db2.gz WAQXWPMMBRXXHM-QAPCUYQASA-N 2 0 309.457 3.687 20 30 DHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000365598211 1027975936 /nfs/dbraw/zinc/97/59/36/1027975936.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 2 0 303.494 3.655 20 30 DHEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367208167 1028147848 /nfs/dbraw/zinc/14/78/48/1028147848.db2.gz HWIHZEIXNCWORV-LPHOPBHVSA-N 2 0 323.484 3.816 20 30 DHEDRP CCC(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC000449078461 1028341852 /nfs/dbraw/zinc/34/18/52/1028341852.db2.gz XSNMEDBRPOSIFK-XBMUEBEBSA-N 2 0 305.510 3.949 20 30 DHEDRP C=CCCCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449166501 1028423898 /nfs/dbraw/zinc/42/38/98/1028423898.db2.gz DGMSMYNLJPWWBI-LJQANCHMSA-N 2 0 321.553 3.661 20 30 DHEDRP C=CCC[C@H](CC)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662617 1028631749 /nfs/dbraw/zinc/63/17/49/1028631749.db2.gz MYPUUYGYSINDMU-IBGZPJMESA-N 2 0 321.553 3.517 20 30 DHEDRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000373812649 1029140306 /nfs/dbraw/zinc/14/03/06/1029140306.db2.gz NYGZLDUOVBTZRJ-LJQANCHMSA-N 2 0 307.441 3.695 20 30 DHEDRP CCCCCCC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817891803 1029264382 /nfs/dbraw/zinc/26/43/82/1029264382.db2.gz HHNIWTDHOHVOAR-INDMIFKZSA-N 2 0 310.526 3.730 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966499 1029306574 /nfs/dbraw/zinc/30/65/74/1029306574.db2.gz PBQUAWHBULIMJV-YJBOKZPZSA-N 2 0 322.880 3.858 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970093 1029311810 /nfs/dbraw/zinc/31/18/10/1029311810.db2.gz LFJLGCYYZOBKTN-BPUTZDHNSA-N 2 0 308.853 3.738 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924585148 1030132494 /nfs/dbraw/zinc/13/24/94/1030132494.db2.gz RVLFBRQSNAYVKQ-MRXNPFEDSA-N 2 0 301.478 3.946 20 30 DHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000866468365 1030309800 /nfs/dbraw/zinc/30/98/00/1030309800.db2.gz FRHZNZUKUFFWIV-FQEVSTJZSA-N 2 0 311.473 3.646 20 30 DHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533448775 1030354878 /nfs/dbraw/zinc/35/48/78/1030354878.db2.gz HUEGBMGRVOLEQW-HOTGVXAUSA-N 2 0 317.452 3.545 20 30 DHEDRP CC1(C#N)CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000823966507 1030435767 /nfs/dbraw/zinc/43/57/67/1030435767.db2.gz RURNGBXHUBMZLJ-UHFFFAOYSA-N 2 0 303.494 3.846 20 30 DHEDRP N#CCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163826 1030722043 /nfs/dbraw/zinc/72/20/43/1030722043.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 2 0 311.473 3.667 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404368 1030742963 /nfs/dbraw/zinc/74/29/63/1030742963.db2.gz QCXCIBGJEMDRGT-XUVXKRRUSA-N 2 0 311.473 3.571 20 30 DHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000927036402 1031044275 /nfs/dbraw/zinc/04/42/75/1031044275.db2.gz BIXWQGHMBQPFJS-ZCGYKAAXSA-N 2 0 315.436 3.755 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000559111261 1031130153 /nfs/dbraw/zinc/13/01/53/1031130153.db2.gz QFXUTEUNDDQPAC-NZSAHSFTSA-N 2 0 303.494 3.655 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000872139707 1031533674 /nfs/dbraw/zinc/53/36/74/1031533674.db2.gz OASJLEOHSKPAKA-PRMSZOBUSA-N 2 0 322.496 3.964 20 30 DHEDRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563313 /nfs/dbraw/zinc/56/33/13/1031563313.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 2 0 311.473 3.551 20 30 DHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198257 1031694518 /nfs/dbraw/zinc/69/45/18/1031694518.db2.gz JEBAQZHICFEDAK-QSFXBCCZSA-N 2 0 311.473 3.614 20 30 DHEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000361463365 1031935015 /nfs/dbraw/zinc/93/50/15/1031935015.db2.gz FQUKEUYLQKUQKN-XLIONFOSSA-N 2 0 311.473 3.844 20 30 DHEDRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001173110500 1033545913 /nfs/dbraw/zinc/54/59/13/1033545913.db2.gz UNBZSVORKNFBPD-UHFFFAOYSA-N 2 0 311.473 3.569 20 30 DHEDRP CCCCCCCC[C@@H](CCC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173310303 1033662273 /nfs/dbraw/zinc/66/22/73/1033662273.db2.gz SCSADGWKQIJNSC-LJQANCHMSA-N 2 0 311.558 3.872 20 30 DHEDRP CCCCCCCC[C@H](CCC)[NH2+]CCN1CC[NH+](C)CC1 ZINC001173308977 1033663739 /nfs/dbraw/zinc/66/37/39/1033663739.db2.gz OWGWEGLIPJNRPD-IBGZPJMESA-N 2 0 311.558 3.743 20 30 DHEDRP C=CCOC1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173320942 1033685438 /nfs/dbraw/zinc/68/54/38/1033685438.db2.gz UJOQBMQOXNGQHS-HDYDNRTBSA-N 2 0 320.521 3.841 20 30 DHEDRP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173334292 1033690850 /nfs/dbraw/zinc/69/08/50/1033690850.db2.gz PMCPOUOKULVZMY-UHFFFAOYSA-N 2 0 305.510 3.807 20 30 DHEDRP CCC(CC)[NH+]1CCC(C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333557 1033692570 /nfs/dbraw/zinc/69/25/70/1033692570.db2.gz JZPSZGOBEFMZFF-UHFFFAOYSA-N 2 0 305.510 3.949 20 30 DHEDRP N#CCC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173338284 1033695100 /nfs/dbraw/zinc/69/51/00/1033695100.db2.gz CQYQMMDGTAEAKK-WWFYLNGCSA-N 2 0 323.484 3.523 20 30 DHEDRP C=CCOC1CCC([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317918 1033712454 /nfs/dbraw/zinc/71/24/54/1033712454.db2.gz QPEXGPZLYMNZRZ-POSCCBCBSA-N 2 0 308.510 3.728 20 30 DHEDRP CC1(C#N)CCC([NH+]2CCC(N)(c3cccc(F)c3)CC2)CC1 ZINC001173591822 1033780291 /nfs/dbraw/zinc/78/02/91/1033780291.db2.gz SLDMTGGNOTZPTP-UHFFFAOYSA-N 2 0 315.436 3.548 20 30 DHEDRP CCCCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000863539925 1034124053 /nfs/dbraw/zinc/12/40/53/1034124053.db2.gz NMZVXVORHSYSRL-PKOBYXMFSA-N 2 0 302.462 3.802 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588639 1035792438 /nfs/dbraw/zinc/79/24/38/1035792438.db2.gz PBEHSTCJIDBGRL-QGZVFWFLSA-N 2 0 305.510 3.903 20 30 DHEDRP C=CCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000668552588 1035972726 /nfs/dbraw/zinc/97/27/26/1035972726.db2.gz PFNADVGTJAGREX-HKUYNNGSSA-N 2 0 320.521 3.744 20 30 DHEDRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708420 1036135336 /nfs/dbraw/zinc/13/53/36/1036135336.db2.gz SBFCCCXBBVVVJZ-GUYCJALGSA-N 2 0 305.441 3.714 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271960785 1036764479 /nfs/dbraw/zinc/76/44/79/1036764479.db2.gz UJBPJVXMUDONNV-LSDHHAIUSA-N 2 0 305.441 3.858 20 30 DHEDRP CCCCCCCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001201839311 1037916514 /nfs/dbraw/zinc/91/65/14/1037916514.db2.gz KTVJEOKANWAPBQ-UHFFFAOYSA-N 2 0 311.558 3.696 20 30 DHEDRP C[NH+](C)CC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000594498777 1039799457 /nfs/dbraw/zinc/79/94/57/1039799457.db2.gz AEZHIGFLUJOIBF-UHFFFAOYSA-N 2 0 313.489 3.699 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105745 1040066390 /nfs/dbraw/zinc/06/63/90/1040066390.db2.gz XWEHQNIWZAPONF-NRFANRHFSA-N 2 0 323.484 3.647 20 30 DHEDRP N#CC1(c2ccc(CN3CC[C@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013028 1040623804 /nfs/dbraw/zinc/62/38/04/1040623804.db2.gz ACYRKSBXRNNRFB-LJQANCHMSA-N 2 0 323.484 3.550 20 30 DHEDRP Cc1ccccc1CN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602515630 1041064833 /nfs/dbraw/zinc/06/48/33/1041064833.db2.gz ANSUVEBYHLRHTL-UHFFFAOYSA-N 2 0 311.473 3.631 20 30 DHEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442718574 335049978 /nfs/dbraw/zinc/04/99/78/335049978.db2.gz PFLFZGVETYWWNB-YLJYHZDGSA-N 2 0 311.473 3.700 20 30 DHEDRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513748 333197821 /nfs/dbraw/zinc/19/78/21/333197821.db2.gz IQCCVPKIUPSNQU-IRXDYDNUSA-N 2 0 315.461 3.504 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192921 /nfs/dbraw/zinc/19/29/21/334192921.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 2 0 323.484 3.665 20 30 DHEDRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)ccc1C#N ZINC000444004020 338466728 /nfs/dbraw/zinc/46/67/28/338466728.db2.gz PVZSWURWUGJRMO-UHFFFAOYSA-N 2 0 313.489 3.714 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181696755 520257366 /nfs/dbraw/zinc/25/73/66/520257366.db2.gz YBUBBHNPVMFDNV-INIZCTEOSA-N 2 0 307.441 3.861 20 30 DHEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181755656 525522827 /nfs/dbraw/zinc/52/28/27/525522827.db2.gz DTZSKDUYFUKZMS-CQSZACIVSA-N 2 0 311.404 3.610 20 30 DHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000579532861 1014084394 /nfs/dbraw/zinc/08/43/94/1014084394.db2.gz DSUJNVIMCSHOTA-HXUWFJFHSA-N 2 0 311.473 3.791 20 30 DHEDRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000442833941 1014747008 /nfs/dbraw/zinc/74/70/08/1014747008.db2.gz VTOTZBGGHWJNHD-RSPOEFSDSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000521817686 1014807252 /nfs/dbraw/zinc/80/72/52/1014807252.db2.gz LKEUJQAUIADFEC-ROUUACIJSA-N 2 0 316.489 3.709 20 30 DHEDRP C=C(C)C[NH+]1CCC(NCc2csc(C(F)(F)F)c2)CC1 ZINC000623407422 1017024206 /nfs/dbraw/zinc/02/42/06/1017024206.db2.gz DHPQYHSFVAKDTQ-UHFFFAOYSA-N 2 0 318.408 3.897 20 30 DHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000424319612 1011977287 /nfs/dbraw/zinc/97/72/87/1011977287.db2.gz FFXIGINLSKGHMU-XDWAVFMPSA-N 2 0 323.484 3.711 20 30 DHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070486 1018029132 /nfs/dbraw/zinc/02/91/32/1018029132.db2.gz PHORFDWNZOSQPV-QUCCMNQESA-N 2 0 320.521 3.602 20 30 DHEDRP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897854 1018369527 /nfs/dbraw/zinc/36/95/27/1018369527.db2.gz HHBFGYABWVBNCB-QGZVFWFLSA-N 2 0 319.452 3.657 20 30 DHEDRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447522895 1018405247 /nfs/dbraw/zinc/40/52/47/1018405247.db2.gz ZQRMJEWABJDVEL-HXUWFJFHSA-N 2 0 307.441 3.861 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998495 1032815124 /nfs/dbraw/zinc/81/51/24/1032815124.db2.gz XBBPQQJBACNADJ-HNNXBMFYSA-N 2 0 320.864 3.669 20 30 DHEDRP N#Cc1csc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000611254633 1019420676 /nfs/dbraw/zinc/42/06/76/1019420676.db2.gz XLBAHGGOEFIFNT-UHFFFAOYSA-N 2 0 317.502 3.708 20 30 DHEDRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393535 1019467865 /nfs/dbraw/zinc/46/78/65/1019467865.db2.gz VRDIIXXRRCJIRA-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP C=C(C)[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000681401509 1019576277 /nfs/dbraw/zinc/57/62/77/1019576277.db2.gz XOMATKDGYZUNLT-FZKQIMNGSA-N 2 0 308.416 3.902 20 30 DHEDRP CC1(C)C[C@@H](NCC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964911 1032935038 /nfs/dbraw/zinc/93/50/38/1032935038.db2.gz NIQPSMUYSULQLC-SFHVURJKSA-N 2 0 311.473 3.713 20 30 DHEDRP CCCCCCCCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000740878214 1020960229 /nfs/dbraw/zinc/96/02/29/1020960229.db2.gz UORDOZWLMUAGCY-FQEVSTJZSA-N 2 0 323.569 3.839 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181513386 1021222082 /nfs/dbraw/zinc/22/20/82/1021222082.db2.gz VABIHBYRDWZBSN-KSZLIROESA-N 2 0 313.489 3.967 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770627 /nfs/dbraw/zinc/77/06/27/1021770627.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 0 317.502 3.706 20 30 DHEDRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308692 1033078372 /nfs/dbraw/zinc/07/83/72/1033078372.db2.gz ZBRICZHKZYXIKO-KRWDZBQOSA-N 2 0 313.489 3.541 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300243 1033106995 /nfs/dbraw/zinc/10/69/95/1033106995.db2.gz UEYUTNWPOQVUMN-XFQXTVEOSA-N 2 0 311.473 3.614 20 30 DHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566807167 1023235470 /nfs/dbraw/zinc/23/54/70/1023235470.db2.gz FZVZDMMJLIILCR-OALUTQOASA-N 2 0 305.425 3.585 20 30 DHEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001172486193 1033198344 /nfs/dbraw/zinc/19/83/44/1033198344.db2.gz CGRHFYUWIZNDAJ-QGZVFWFLSA-N 2 0 305.510 3.951 20 30 DHEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000883194762 1024281064 /nfs/dbraw/zinc/28/10/64/1024281064.db2.gz CFEKRAWNBUDPHS-WOJBJXKFSA-N 2 0 320.521 3.887 20 30 DHEDRP C[C@H](CCCC#N)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488214 1033220470 /nfs/dbraw/zinc/22/04/70/1033220470.db2.gz RIOFTQPEUZZZBX-ATZDWAIDSA-N 2 0 317.452 3.980 20 30 DHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230020 /nfs/dbraw/zinc/23/00/20/1033230020.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 2 0 311.473 3.523 20 30 DHEDRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166875 1025787080 /nfs/dbraw/zinc/78/70/80/1025787080.db2.gz VJHKIAPRNYDQRN-UHFFFAOYSA-N 2 0 313.489 3.792 20 30 DHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025810935 /nfs/dbraw/zinc/81/09/35/1025810935.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 2 0 313.489 3.650 20 30 DHEDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423017675 1027391679 /nfs/dbraw/zinc/39/16/79/1027391679.db2.gz PHFYBOYNDKAJAX-MRXNPFEDSA-N 2 0 307.441 3.832 20 30 DHEDRP C=CCOc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956702 1027544045 /nfs/dbraw/zinc/54/40/45/1027544045.db2.gz KKQUBRFKNUFWOM-UHFFFAOYSA-N 2 0 314.473 3.559 20 30 DHEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423468983 1027558293 /nfs/dbraw/zinc/55/82/93/1027558293.db2.gz KCTIMULPGRQOJM-YTQUADARSA-N 2 0 304.453 3.853 20 30 DHEDRP CC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1 ZINC000423528910 1027574852 /nfs/dbraw/zinc/57/48/52/1027574852.db2.gz PBOHIAFXWNCRQX-YTVQSGDASA-N 2 0 323.484 3.753 20 30 DHEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000367052324 1028127167 /nfs/dbraw/zinc/12/71/67/1028127167.db2.gz ADXMVPSQMWDILM-UHFFFAOYSA-N 2 0 311.473 3.713 20 30 DHEDRP N#CCCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000578866727 1028257996 /nfs/dbraw/zinc/25/79/96/1028257996.db2.gz XROOTTQUKJZVLW-HXUWFJFHSA-N 2 0 311.473 3.886 20 30 DHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082205 1028348153 /nfs/dbraw/zinc/34/81/53/1028348153.db2.gz LMHHAXNQORZDDB-YYZRRKBYSA-N 2 0 305.510 3.807 20 30 DHEDRP CC(C)c1nccn1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000373812648 1029139950 /nfs/dbraw/zinc/13/99/50/1029139950.db2.gz NYGZLDUOVBTZRJ-IBGZPJMESA-N 2 0 307.441 3.695 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163310945 1029167783 /nfs/dbraw/zinc/16/77/83/1029167783.db2.gz QQPUYCQSDJKXCV-JKSUJKDBSA-N 2 0 322.880 3.810 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000817964374 1029299269 /nfs/dbraw/zinc/29/92/69/1029299269.db2.gz AAFHRQPLZMOCDJ-OAHLLOKOSA-N 2 0 322.880 3.858 20 30 DHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000817982228 1029321134 /nfs/dbraw/zinc/32/11/34/1029321134.db2.gz PQIIOWVFNDNLQB-LZWOXQAQSA-N 2 0 308.853 3.596 20 30 DHEDRP N#CC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000451067092 1029786102 /nfs/dbraw/zinc/78/61/02/1029786102.db2.gz VUFSGYPQKJXZBG-UHFFFAOYSA-N 2 0 323.484 3.668 20 30 DHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866231951 1030169413 /nfs/dbraw/zinc/16/94/13/1030169413.db2.gz AVCYQSWRRSVZOK-HOTGVXAUSA-N 2 0 315.461 3.569 20 30 DHEDRP CC[NH+](CC)CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929278457 1031484474 /nfs/dbraw/zinc/48/44/74/1031484474.db2.gz YUSANRPKXROAQV-UHFFFAOYSA-N 2 0 305.510 3.904 20 30 DHEDRP C[N@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000872158903 1031540648 /nfs/dbraw/zinc/54/06/48/1031540648.db2.gz ZAXZXJCQWQZOBP-UHFFFAOYSA-N 2 0 313.367 3.528 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171189613 1031617443 /nfs/dbraw/zinc/61/74/43/1031617443.db2.gz HTSPXJFWBYUWRR-OAHLLOKOSA-N 2 0 313.489 3.730 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198259 1031694199 /nfs/dbraw/zinc/69/41/99/1031694199.db2.gz JEBAQZHICFEDAK-XFQXTVEOSA-N 2 0 311.473 3.614 20 30 DHEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000361463358 1031934607 /nfs/dbraw/zinc/93/46/07/1031934607.db2.gz FQUKEUYLQKUQKN-FXAWDEMLSA-N 2 0 311.473 3.844 20 30 DHEDRP CC1(C#N)CCC([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173600306 1033787321 /nfs/dbraw/zinc/78/73/21/1033787321.db2.gz YZZKVWAPGGNDMR-HJLBWTBNSA-N 2 0 323.484 3.523 20 30 DHEDRP CC(C)(C#N)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000903101388 1035281384 /nfs/dbraw/zinc/28/13/84/1035281384.db2.gz GVPMCZANISAZRK-GUDVDZBRSA-N 2 0 311.473 3.569 20 30 DHEDRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000443985371 1036978710 /nfs/dbraw/zinc/97/87/10/1036978710.db2.gz UGSRDPHLMVKLNK-IAGOWNOFSA-N 2 0 313.489 3.714 20 30 DHEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573306 1038936410 /nfs/dbraw/zinc/93/64/10/1038936410.db2.gz IIOIBBDXODAKGB-CZUORRHYSA-N 2 0 305.853 3.612 20 30 DHEDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071870 1039027977 /nfs/dbraw/zinc/02/79/77/1039027977.db2.gz UZCDRHCYSZNURH-XLIONFOSSA-N 2 0 311.473 3.647 20 30 DHEDRP CCCC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594918696 1039926437 /nfs/dbraw/zinc/92/64/37/1039926437.db2.gz RNKAMPHBHYOBBS-UHFFFAOYSA-N 2 0 311.473 3.596 20 30 DHEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094356 1040305458 /nfs/dbraw/zinc/30/54/58/1040305458.db2.gz LCNBEHRMFCGDPZ-AZUAARDMSA-N 2 0 311.473 3.721 20 30 DHEDRP C[C@@H](CCC#N)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000602481976 1041052148 /nfs/dbraw/zinc/05/21/48/1041052148.db2.gz DQUMUEFHDQSRQD-ROUUACIJSA-N 2 0 305.510 3.903 20 30 DHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000602514739 1041063595 /nfs/dbraw/zinc/06/35/95/1041063595.db2.gz LVASOTZJXDYWFR-ROUUACIJSA-N 2 0 313.489 3.948 20 30 DHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000340594713 132048671 /nfs/dbraw/zinc/04/86/71/132048671.db2.gz BFMXCSNNHSQUJV-UHFFFAOYSA-N 2 0 307.441 3.642 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000530953017 331642422 /nfs/dbraw/zinc/64/24/22/331642422.db2.gz UMVHFGSIYRQBKZ-WBVHZDCISA-N 2 0 305.491 3.610 20 30 DHEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185797063 333214378 /nfs/dbraw/zinc/21/43/78/333214378.db2.gz QBDBPTXIYCFSSU-PMACEKPBSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719295 334073967 /nfs/dbraw/zinc/07/39/67/334073967.db2.gz UWXYQYLTPRCKMG-MRXNPFEDSA-N 2 0 322.880 3.869 20 30 DHEDRP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295123168 334219150 /nfs/dbraw/zinc/21/91/50/334219150.db2.gz WWZYGWDGXBIQAZ-BWPNAZKDSA-N 2 0 311.473 3.569 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414989887 334229935 /nfs/dbraw/zinc/22/99/35/334229935.db2.gz HTESYXVICBUZMB-HIFRSBDPSA-N 2 0 308.853 3.512 20 30 DHEDRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258603 336408630 /nfs/dbraw/zinc/40/86/30/336408630.db2.gz CWBBNUZOTXJVIS-FQEVSTJZSA-N 2 0 323.415 3.536 20 30 DHEDRP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000174863928 337145115 /nfs/dbraw/zinc/14/51/15/337145115.db2.gz CJFSJHOSSJYFTB-GOSISDBHSA-N 2 0 305.510 3.904 20 30 DHEDRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000185866194 337252033 /nfs/dbraw/zinc/25/20/33/337252033.db2.gz HFTBSUVCAVKFNT-BKVYNOPKSA-N 2 0 303.494 3.701 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269002682 337635856 /nfs/dbraw/zinc/63/58/56/337635856.db2.gz LXWMHPVEMLPWSB-OAHLLOKOSA-N 2 0 310.869 3.810 20 30 DHEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551564342 341345642 /nfs/dbraw/zinc/34/56/42/341345642.db2.gz NZLASYQBPQEQOR-SFHVURJKSA-N 2 0 316.489 3.994 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271887558 341625239 /nfs/dbraw/zinc/62/52/39/341625239.db2.gz RDUAFJIRBZWCCJ-IAGOWNOFSA-N 2 0 317.477 3.750 20 30 DHEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167964071 1013196592 /nfs/dbraw/zinc/19/65/92/1013196592.db2.gz MTFDWPATFGVRTH-LRLLJDFBSA-N 2 0 309.457 3.614 20 30 DHEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048563652 1013835633 /nfs/dbraw/zinc/83/56/33/1013835633.db2.gz DUAVYHBZVPJUKL-UHFFFAOYSA-N 2 0 311.473 3.646 20 30 DHEDRP C[C@H](CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422581 1032229095 /nfs/dbraw/zinc/22/90/95/1032229095.db2.gz ANJDAHAGRYCATJ-UZLBHIALSA-N 2 0 311.473 3.790 20 30 DHEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424335509 1011985292 /nfs/dbraw/zinc/98/52/92/1011985292.db2.gz WVGODHNZMVEJDO-LHQJTOJGSA-N 2 0 311.473 3.711 20 30 DHEDRP CCc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303908597 1017459825 /nfs/dbraw/zinc/45/98/25/1017459825.db2.gz XQMQFIFUDHWCMH-MRXNPFEDSA-N 2 0 316.493 3.630 20 30 DHEDRP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897843 1018369757 /nfs/dbraw/zinc/36/97/57/1018369757.db2.gz HHBFGYABWVBNCB-KRWDZBQOSA-N 2 0 319.452 3.657 20 30 DHEDRP Cc1ccc(C(=[NH2+])NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1C ZINC001171629734 1032795069 /nfs/dbraw/zinc/79/50/69/1032795069.db2.gz FPSXIPHOCYRMHS-UHFFFAOYSA-N 2 0 301.478 3.660 20 30 DHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994822 /nfs/dbraw/zinc/99/48/22/1018994822.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 2 0 305.491 3.504 20 30 DHEDRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393558 1019468157 /nfs/dbraw/zinc/46/81/57/1019468157.db2.gz WUWABRPVDHMLGU-RTBURBONSA-N 2 0 313.489 3.892 20 30 DHEDRP Cc1nccn1CCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000130607959 1032894248 /nfs/dbraw/zinc/89/42/48/1032894248.db2.gz RPFUJNUCTCQGRM-UHFFFAOYSA-N 2 0 310.445 3.515 20 30 DHEDRP C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183045167 1021949929 /nfs/dbraw/zinc/94/99/29/1021949929.db2.gz NREOCMBVYAFHGD-KRWDZBQOSA-N 2 0 314.473 3.745 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001172300873 1033073380 /nfs/dbraw/zinc/07/33/80/1033073380.db2.gz IKKWMFCXZXVSMP-ZTNFWEORSA-N 2 0 313.489 3.623 20 30 DHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302137 1033073839 /nfs/dbraw/zinc/07/38/39/1033073839.db2.gz DYFPYVAYKQDEIT-SJORKVTESA-N 2 0 301.478 3.589 20 30 DHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001172300872 1033074360 /nfs/dbraw/zinc/07/43/60/1033074360.db2.gz IKKWMFCXZXVSMP-XFQXTVEOSA-N 2 0 313.489 3.623 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000695865958 1023036302 /nfs/dbraw/zinc/03/63/02/1023036302.db2.gz VYGQEWQEKJGIMD-FXAWDEMLSA-N 2 0 313.489 3.817 20 30 DHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000695866004 1023037153 /nfs/dbraw/zinc/03/71/53/1023037153.db2.gz WZVMXZRRXOGLQB-HKUYNNGSSA-N 2 0 313.489 3.817 20 30 DHEDRP CCCCCCC[C@H](CC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172359471 1033139478 /nfs/dbraw/zinc/13/94/78/1033139478.db2.gz WJWCNDRXWDBWDS-SFHVURJKSA-N 2 0 310.526 3.826 20 30 DHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001172480661 1033192797 /nfs/dbraw/zinc/19/27/97/1033192797.db2.gz WNFWSRSCVIWHDY-RSPOEFSDSA-N 2 0 311.473 3.569 20 30 DHEDRP CC[N@H+](CCC[NH+](C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398433 1024763125 /nfs/dbraw/zinc/76/31/25/1024763125.db2.gz PXFLXOKGOABFHH-UHFFFAOYSA-N 2 0 313.489 3.664 20 30 DHEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001172505354 1033235117 /nfs/dbraw/zinc/23/51/17/1033235117.db2.gz LVXFLJBNYNPYFY-INIZCTEOSA-N 2 0 317.452 3.804 20 30 DHEDRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353389103 1025050239 /nfs/dbraw/zinc/05/02/39/1025050239.db2.gz RJJDNBBROTUWMO-FQEVSTJZSA-N 2 0 311.473 3.647 20 30 DHEDRP C=CCC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccco1 ZINC000353650912 1025175466 /nfs/dbraw/zinc/17/54/66/1025175466.db2.gz SGBUSQVQMFQPLV-OAHLLOKOSA-N 2 0 308.491 3.704 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000886602856 1025729129 /nfs/dbraw/zinc/72/91/29/1025729129.db2.gz AVHPLQHPARFTEA-VEDCXYSMSA-N 2 0 323.484 3.932 20 30 DHEDRP C=CCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004893 1027391315 /nfs/dbraw/zinc/39/13/15/1027391315.db2.gz QENFONUPCLUZRQ-WBMJQRKESA-N 2 0 312.379 3.910 20 30 DHEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423099517 1027415137 /nfs/dbraw/zinc/41/51/37/1027415137.db2.gz FIRNOECBBMRLFF-SLFFLAALSA-N 2 0 314.473 3.652 20 30 DHEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473833 1027561008 /nfs/dbraw/zinc/56/10/08/1027561008.db2.gz OJSZWZVUBHDAGS-RIVXBTQJSA-N 2 0 304.453 3.709 20 30 DHEDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522670 1027580449 /nfs/dbraw/zinc/58/04/49/1027580449.db2.gz VEBDETHBIUXVTO-KUHUBIRLSA-N 2 0 311.404 3.828 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000562738279 1027586640 /nfs/dbraw/zinc/58/66/40/1027586640.db2.gz FMZCJXZGKKZINR-FQEVSTJZSA-N 2 0 316.408 3.763 20 30 DHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000367900271 1028256245 /nfs/dbraw/zinc/25/62/45/1028256245.db2.gz JBYPOVDYJPHERD-SJLPKXTDSA-N 2 0 305.510 3.949 20 30 DHEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000370003315 1028552912 /nfs/dbraw/zinc/55/29/12/1028552912.db2.gz ZUMFLMFZFHUIHJ-GOSISDBHSA-N 2 0 305.510 3.760 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966496 1029304394 /nfs/dbraw/zinc/30/43/94/1029304394.db2.gz PBQUAWHBULIMJV-CRAIPNDOSA-N 2 0 322.880 3.858 20 30 DHEDRP C=CCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765880 1030013632 /nfs/dbraw/zinc/01/36/32/1030013632.db2.gz QGJAZDUYYIBTKH-UHFFFAOYSA-N 2 0 302.462 3.604 20 30 DHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCN2C2CCCCCC2)CC1 ZINC000865805083 1030032547 /nfs/dbraw/zinc/03/25/47/1030032547.db2.gz QDKFFFSZOYIWSB-AVAKVYKDSA-N 2 0 303.494 3.846 20 30 DHEDRP C=CCOc1ccccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925572888 1030409652 /nfs/dbraw/zinc/40/96/52/1030409652.db2.gz LHDDPJNQGZSASP-LJQANCHMSA-N 2 0 310.441 3.821 20 30 DHEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926680661 1030859185 /nfs/dbraw/zinc/85/91/85/1030859185.db2.gz QWQKBUVFOSRKQH-MRXNPFEDSA-N 2 0 307.441 3.513 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)CC1CC1 ZINC000559147042 1031134959 /nfs/dbraw/zinc/13/49/59/1031134959.db2.gz RFELCKQZYOFMRQ-RBUKOAKNSA-N 2 0 303.494 3.513 20 30 DHEDRP CCC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820733 1031574938 /nfs/dbraw/zinc/57/49/38/1031574938.db2.gz KIWLIYSAPKBOMP-HXUWFJFHSA-N 2 0 311.473 3.790 20 30 DHEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831438 1031577743 /nfs/dbraw/zinc/57/77/43/1031577743.db2.gz FIHWXTFNLAHGLT-PXNSSMCTSA-N 2 0 311.473 3.647 20 30 DHEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831439 1031579585 /nfs/dbraw/zinc/57/95/85/1031579585.db2.gz FIHWXTFNLAHGLT-XLIONFOSSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836331 1031581753 /nfs/dbraw/zinc/58/17/53/1031581753.db2.gz MHBXJJMSXOCNRG-OXQOHEQNSA-N 2 0 311.473 3.647 20 30 DHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000360839522 1031583506 /nfs/dbraw/zinc/58/35/06/1031583506.db2.gz IETXYSHAZOKAHF-HXUWFJFHSA-N 2 0 309.457 3.542 20 30 DHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873265727 1031779860 /nfs/dbraw/zinc/77/98/60/1031779860.db2.gz XFFXQCPZPPSCRE-SOYNOBFHSA-N 2 0 323.484 3.511 20 30 DHEDRP N#CC1CCC(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000930615762 1031890543 /nfs/dbraw/zinc/89/05/43/1031890543.db2.gz SQVKILZLOMYXRV-UHFFFAOYSA-N 2 0 311.473 3.571 20 30 DHEDRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220940 1031958785 /nfs/dbraw/zinc/95/87/85/1031958785.db2.gz FXEPOXAMZCYDTH-QGZVFWFLSA-N 2 0 313.489 3.541 20 30 DHEDRP C/C(N[C@H]1CCc2ccc(C)cc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172839702 1033410466 /nfs/dbraw/zinc/41/04/66/1033410466.db2.gz WLRAFGVRWVQMFG-NRFANRHFSA-N 2 0 321.468 3.519 20 30 DHEDRP CCCCCCCC[C@H](CCC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173310302 1033663070 /nfs/dbraw/zinc/66/30/70/1033663070.db2.gz SCSADGWKQIJNSC-IBGZPJMESA-N 2 0 311.558 3.872 20 30 DHEDRP C=CCOC1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173317016 1033711143 /nfs/dbraw/zinc/71/11/43/1033711143.db2.gz RFQWLLACGKJXIA-UHFFFAOYSA-N 2 0 308.510 3.743 20 30 DHEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862549298 1033886858 /nfs/dbraw/zinc/88/68/58/1033886858.db2.gz ZEZWYTWGHXZHJR-KRWDZBQOSA-N 2 0 322.537 3.684 20 30 DHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001183535153 1036622765 /nfs/dbraw/zinc/62/27/65/1036622765.db2.gz UOABRRUTAJOTIJ-IBGZPJMESA-N 2 0 315.505 3.663 20 30 DHEDRP C=CC[N@@H+](CCCCn1ccnc1C)Cc1cccc(C#N)c1 ZINC000125488745 1037937722 /nfs/dbraw/zinc/93/77/22/1037937722.db2.gz SVVXHUYHIWGQHP-UHFFFAOYSA-N 2 0 308.429 3.532 20 30 DHEDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071871 1039029961 /nfs/dbraw/zinc/02/99/61/1039029961.db2.gz UZCDRHCYSZNURH-YLJYHZDGSA-N 2 0 311.473 3.647 20 30 DHEDRP N#CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622487 1040196168 /nfs/dbraw/zinc/19/61/68/1040196168.db2.gz BJCABFMZFTXZNR-GOSISDBHSA-N 2 0 311.473 3.798 20 30 DHEDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000593320190 1040720333 /nfs/dbraw/zinc/72/03/33/1040720333.db2.gz ACJVACLFQZCAJY-OAQYLSRUSA-N 2 0 319.452 3.835 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000602548504 1041087741 /nfs/dbraw/zinc/08/77/41/1041087741.db2.gz YITBLYYLCSLRSQ-VOBGVNJCSA-N 2 0 311.473 3.711 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665892 1041150465 /nfs/dbraw/zinc/15/04/65/1041150465.db2.gz DLLBEEAFDRREDA-QUCCMNQESA-N 2 0 313.489 3.818 20 30 DHEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442718567 335050027 /nfs/dbraw/zinc/05/00/27/335050027.db2.gz PFLFZGVETYWWNB-PXNSSMCTSA-N 2 0 311.473 3.700 20 30 DHEDRP C#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000290393798 335072978 /nfs/dbraw/zinc/07/29/78/335072978.db2.gz OSVWNPGMZMYCRH-UHFFFAOYSA-N 2 0 304.437 3.554 20 30 DHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000530953014 331642378 /nfs/dbraw/zinc/64/23/78/331642378.db2.gz UMVHFGSIYRQBKZ-DOTOQJQBSA-N 2 0 305.491 3.610 20 30 DHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000276205129 334075129 /nfs/dbraw/zinc/07/51/29/334075129.db2.gz JWOXCQONDCRMOT-IRXDYDNUSA-N 2 0 313.489 3.672 20 30 DHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204296 335565494 /nfs/dbraw/zinc/56/54/94/335565494.db2.gz GIKCUEAJHDOSSD-FUHWJXTLSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035192 335589075 /nfs/dbraw/zinc/58/90/75/335589075.db2.gz IHKOTBJQZFPZQY-USWSCHJFSA-N 2 0 317.521 3.949 20 30 DHEDRP CC[NH+](CC)CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000532605299 336257363 /nfs/dbraw/zinc/25/73/63/336257363.db2.gz ZRQRHTSSXABSDT-UHFFFAOYSA-N 2 0 318.892 3.745 20 30 DHEDRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023304 336287181 /nfs/dbraw/zinc/28/71/81/336287181.db2.gz ULTBUXXHSMSGSP-INIZCTEOSA-N 2 0 315.461 3.504 20 30 DHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421336938 337527185 /nfs/dbraw/zinc/52/71/85/337527185.db2.gz XPORJNZVWGBHNH-HOTGVXAUSA-N 2 0 317.452 3.545 20 30 DHEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423034374 337696588 /nfs/dbraw/zinc/69/65/88/337696588.db2.gz XNFOTGAQOSYOKA-IEZWGBDMSA-N 2 0 300.446 3.577 20 30 DHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507017 337723731 /nfs/dbraw/zinc/72/37/31/337723731.db2.gz JJTHXOJXRRPMCW-UXHICEINSA-N 2 0 305.425 3.615 20 30 DHEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778093 338430623 /nfs/dbraw/zinc/43/06/23/338430623.db2.gz FLVFCJJUJGBFFN-VQTJNVASSA-N 2 0 311.473 3.844 20 30 DHEDRP C=CCCC[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075597 340073771 /nfs/dbraw/zinc/07/37/71/340073771.db2.gz KBZFIDCKOCYZJS-KRWDZBQOSA-N 2 0 301.478 3.975 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000506862634 340202892 /nfs/dbraw/zinc/20/28/92/340202892.db2.gz SLURXSYYWZCQGX-UHFFFAOYSA-N 2 0 322.880 3.678 20 30 DHEDRP CCN(C[C@H](C)C#N)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509776174 340278814 /nfs/dbraw/zinc/27/88/14/340278814.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 2 0 301.478 3.626 20 30 DHEDRP C=CC[C@@H](NC1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925073792 1013384405 /nfs/dbraw/zinc/38/44/05/1013384405.db2.gz DSMBWNVJHSIHNU-LJQANCHMSA-N 2 0 301.478 3.799 20 30 DHEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(-n2ccnc2)c1 ZINC000176979107 1013694306 /nfs/dbraw/zinc/69/43/06/1013694306.db2.gz OJTRKSPWUIZUTD-ZDUSSCGKSA-N 2 0 308.410 3.656 20 30 DHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000048712398 1013929669 /nfs/dbraw/zinc/92/96/69/1013929669.db2.gz ZCQWUEMQZAEUNB-UHFFFAOYSA-N 2 0 307.441 3.688 20 30 DHEDRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585558 1018429495 /nfs/dbraw/zinc/42/94/95/1018429495.db2.gz KLXFUFQYYPIZLL-QUCCMNQESA-N 2 0 313.489 3.967 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391909 1019465772 /nfs/dbraw/zinc/46/57/72/1019465772.db2.gz DWBUPCJEEWMMKV-PXNSSMCTSA-N 2 0 311.473 3.646 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391910 1019465933 /nfs/dbraw/zinc/46/59/33/1019465933.db2.gz DWBUPCJEEWMMKV-XLIONFOSSA-N 2 0 311.473 3.646 20 30 DHEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391908 1019466470 /nfs/dbraw/zinc/46/64/70/1019466470.db2.gz DWBUPCJEEWMMKV-FXAWDEMLSA-N 2 0 311.473 3.646 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000922503770 1020105721 /nfs/dbraw/zinc/10/57/21/1020105721.db2.gz KDWYKAHTASFGBH-UHFFFAOYSA-N 2 0 303.475 3.506 20 30 DHEDRP C=CCC[C@@H](CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166205 1020200537 /nfs/dbraw/zinc/20/05/37/1020200537.db2.gz MZOOUMDWLFJCSB-LJQANCHMSA-N 2 0 301.478 3.628 20 30 DHEDRP CC(C)(S)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982993 1032964045 /nfs/dbraw/zinc/96/40/45/1032964045.db2.gz LNTRUKBFMZYTQW-INIZCTEOSA-N 2 0 306.519 3.728 20 30 DHEDRP CC(C)(S)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982994 1032965066 /nfs/dbraw/zinc/96/50/66/1032965066.db2.gz LNTRUKBFMZYTQW-MRXNPFEDSA-N 2 0 306.519 3.728 20 30 DHEDRP Cc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000926967025 1032989052 /nfs/dbraw/zinc/98/90/52/1032989052.db2.gz ZMFSZHGWDMOXDE-MRXNPFEDSA-N 2 0 307.441 3.779 20 30 DHEDRP C=CCCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093533620 1021623409 /nfs/dbraw/zinc/62/34/09/1021623409.db2.gz OZVPUXVXGVFZSV-UHFFFAOYSA-N 2 0 315.505 3.615 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302136 1033073168 /nfs/dbraw/zinc/07/31/68/1033073168.db2.gz DYFPYVAYKQDEIT-IRXDYDNUSA-N 2 0 301.478 3.589 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302134 1033074071 /nfs/dbraw/zinc/07/40/71/1033074071.db2.gz DYFPYVAYKQDEIT-DLBZAZTESA-N 2 0 301.478 3.589 20 30 DHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308728 1033079081 /nfs/dbraw/zinc/07/90/81/1033079081.db2.gz MOXMLAZQOUIULB-AHRSYUTCSA-N 2 0 313.489 3.732 20 30 DHEDRP C[C@@H](CCCC#N)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001172476891 1033193238 /nfs/dbraw/zinc/19/32/38/1033193238.db2.gz SGZGGFBBQKMQKQ-SFHVURJKSA-N 2 0 313.489 3.961 20 30 DHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000793551885 1025094712 /nfs/dbraw/zinc/09/47/12/1025094712.db2.gz WFWMHUMDFNORGK-DFQSSKMNSA-N 2 0 322.537 3.869 20 30 DHEDRP C[NH+](CCCCC#N)[C@H]1CC[C@H]([N@H+](C)CCCCC#N)CC1 ZINC000886393801 1025613053 /nfs/dbraw/zinc/61/30/53/1025613053.db2.gz CRBOMGXMUULXOK-IYARVYRRSA-N 2 0 304.482 3.549 20 30 DHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000886550090 1025695559 /nfs/dbraw/zinc/69/55/59/1025695559.db2.gz SDDUBGACECJBHY-UHFFFAOYSA-N 2 0 315.436 3.584 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089513119 1026051271 /nfs/dbraw/zinc/05/12/71/1026051271.db2.gz MVZXBYDFJWDCOX-MRXNPFEDSA-N 2 0 314.473 3.612 20 30 DHEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809610071 1026563306 /nfs/dbraw/zinc/56/33/06/1026563306.db2.gz VTKJXMCXYVBHOA-UHFFFAOYSA-N 2 0 318.464 3.670 20 30 DHEDRP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000104155632 1026594467 /nfs/dbraw/zinc/59/44/67/1026594467.db2.gz RWCBYGQEASKZKG-LJQANCHMSA-N 2 0 322.456 3.559 20 30 DHEDRP N#CC1CCC(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000931706201 1027225299 /nfs/dbraw/zinc/22/52/99/1027225299.db2.gz AXECQMWGJZEHOO-FAFZWHIHSA-N 2 0 308.429 3.544 20 30 DHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)CC(C)C ZINC000562763709 1027595394 /nfs/dbraw/zinc/59/53/94/1027595394.db2.gz OKPSUXQIIMXROQ-OALUTQOASA-N 2 0 305.510 3.759 20 30 DHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449180285 1028435664 /nfs/dbraw/zinc/43/56/64/1028435664.db2.gz ZLQVFXKFLGVYLJ-RRENTHDGSA-N 2 0 305.510 3.949 20 30 DHEDRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000371380040 1028698513 /nfs/dbraw/zinc/69/85/13/1028698513.db2.gz QCWWPYPBUUOPIM-MRXNPFEDSA-N 2 0 302.466 3.973 20 30 DHEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678885 1028881853 /nfs/dbraw/zinc/88/18/53/1028881853.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 2 0 305.510 3.903 20 30 DHEDRP C=CCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567852107 1028963058 /nfs/dbraw/zinc/96/30/58/1028963058.db2.gz PTQSBANTZJOVHI-SFHVURJKSA-N 2 0 316.514 3.692 20 30 DHEDRP CCCCCCC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817891802 1029263208 /nfs/dbraw/zinc/26/32/08/1029263208.db2.gz HHNIWTDHOHVOAR-CADBVGFASA-N 2 0 310.526 3.730 20 30 DHEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817919197 1029274961 /nfs/dbraw/zinc/27/49/61/1029274961.db2.gz QUIBPQZCHVGVKL-HQRMLTQVSA-N 2 0 314.473 3.967 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000817947152 1029290788 /nfs/dbraw/zinc/29/07/88/1029290788.db2.gz LQEKXDDWYZYANE-IUDNXUCKSA-N 2 0 308.853 3.738 20 30 DHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000817963527 1029299231 /nfs/dbraw/zinc/29/92/31/1029299231.db2.gz TXFDKZOZBPSLOG-CVEARBPZSA-N 2 0 308.425 3.569 20 30 DHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000817968459 1029307202 /nfs/dbraw/zinc/30/72/02/1029307202.db2.gz JNZADWXGWSTXHM-ZBFHGGJFSA-N 2 0 308.853 3.611 20 30 DHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526300 1030046144 /nfs/dbraw/zinc/04/61/44/1030046144.db2.gz SEABQIDFRRGJPB-MRXNPFEDSA-N 2 0 307.441 3.813 20 30 DHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924585147 1030131191 /nfs/dbraw/zinc/13/11/91/1030131191.db2.gz RVLFBRQSNAYVKQ-INIZCTEOSA-N 2 0 301.478 3.946 20 30 DHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854280 1030205938 /nfs/dbraw/zinc/20/59/38/1030205938.db2.gz GBONIDANXHSGTQ-MRXNPFEDSA-N 2 0 305.510 3.949 20 30 DHEDRP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571721 1030540406 /nfs/dbraw/zinc/54/04/06/1030540406.db2.gz PKAUJLAAIVHWIW-HUUCEWRRSA-N 2 0 303.425 3.612 20 30 DHEDRP N#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404367 1030742330 /nfs/dbraw/zinc/74/23/30/1030742330.db2.gz QCXCIBGJEMDRGT-VAMGGRTRSA-N 2 0 311.473 3.571 20 30 DHEDRP C=CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248756034 1030766949 /nfs/dbraw/zinc/76/69/49/1030766949.db2.gz CRJVZNBXBSTZNM-LDLYASANSA-N 2 0 316.514 3.691 20 30 DHEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872139996 1031533584 /nfs/dbraw/zinc/53/35/84/1031533584.db2.gz VAVCAWGFYCUIAS-MMKMLUHNSA-N 2 0 310.485 3.679 20 30 DHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001171179920 1031563418 /nfs/dbraw/zinc/56/34/18/1031563418.db2.gz YWVOJKLZUIXBNX-UWJYYQICSA-N 2 0 321.468 3.772 20 30 DHEDRP C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836326 1031582745 /nfs/dbraw/zinc/58/27/45/1031582745.db2.gz MHBXJJMSXOCNRG-JXFKEZNVSA-N 2 0 311.473 3.647 20 30 DHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001171183329 1031593515 /nfs/dbraw/zinc/59/35/15/1031593515.db2.gz DOZBUISKFBDIGY-MOXGXCLJSA-N 2 0 313.489 3.623 20 30 DHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171186892 1031603842 /nfs/dbraw/zinc/60/38/42/1031603842.db2.gz ZUSIQJUXXFWBFP-IRXDYDNUSA-N 2 0 301.478 3.589 20 30 DHEDRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171192887 1031636100 /nfs/dbraw/zinc/63/61/00/1031636100.db2.gz QLFMBKHHXQVRJH-ROUUACIJSA-N 2 0 321.468 3.586 20 30 DHEDRP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000539818364 1035872036 /nfs/dbraw/zinc/87/20/36/1035872036.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 0 302.462 3.556 20 30 DHEDRP N#CC1(CCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689199 1036353976 /nfs/dbraw/zinc/35/39/76/1036353976.db2.gz WTAGVVRFTVPDEP-GOSISDBHSA-N 2 0 303.494 3.801 20 30 DHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC#N)CC1 ZINC000541919519 1036460816 /nfs/dbraw/zinc/46/08/16/1036460816.db2.gz NBTCXSAXYIEXHT-UHFFFAOYSA-N 2 0 313.489 3.770 20 30 DHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542017454 1036487389 /nfs/dbraw/zinc/48/73/89/1036487389.db2.gz SHHDIWDWFZJBLZ-UHFFFAOYSA-N 2 0 313.489 3.892 20 30 DHEDRP CCCCCCC[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001201762366 1037884058 /nfs/dbraw/zinc/88/40/58/1037884058.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 0 310.526 3.780 20 30 DHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCC)CC2)cc1 ZINC000164463641 1038191391 /nfs/dbraw/zinc/19/13/91/1038191391.db2.gz FGCYUIBHPLMUGY-QGZVFWFLSA-N 2 0 314.473 3.614 20 30 DHEDRP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775393866 1038335480 /nfs/dbraw/zinc/33/54/80/1038335480.db2.gz BSAGHQSYJWGYMU-HZPDHXFCSA-N 2 0 302.462 3.906 20 30 DHEDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071869 1039028348 /nfs/dbraw/zinc/02/83/48/1039028348.db2.gz UZCDRHCYSZNURH-PXNSSMCTSA-N 2 0 311.473 3.647 20 30 DHEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000595058652 1040022994 /nfs/dbraw/zinc/02/29/94/1040022994.db2.gz IHJJZKGGDYZQRK-HKUYNNGSSA-N 2 0 318.530 3.796 20 30 DHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094811 1040307168 /nfs/dbraw/zinc/30/71/68/1040307168.db2.gz MKTGHHSEIMJKLS-RXVVDRJESA-N 2 0 323.484 3.647 20 30 DHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624278 /nfs/dbraw/zinc/62/42/78/1040624278.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 2 0 311.473 3.546 20 30 DHEDRP C[C@H](CCC#N)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000602458487 1041043637 /nfs/dbraw/zinc/04/36/37/1041043637.db2.gz MNXVSOIUHLATIK-GOSISDBHSA-N 2 0 313.489 3.770 20 30 DHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000602594192 1041108171 /nfs/dbraw/zinc/10/81/71/1041108171.db2.gz UCOIZFREJFTWLB-GOSISDBHSA-N 2 0 313.489 3.948 20 30 DHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285559286 131181126 /nfs/dbraw/zinc/18/11/26/131181126.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 0 311.429 3.666 20 30 DHEDRP CC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289471756 131389332 /nfs/dbraw/zinc/38/93/32/131389332.db2.gz POKFVHZTINGZOY-UHFFFAOYSA-N 2 0 313.470 3.703 20 30 DHEDRP N#CCc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000563122627 333393652 /nfs/dbraw/zinc/39/36/52/333393652.db2.gz NSBLCGRCWJITDH-UHFFFAOYSA-N 2 0 311.473 3.639 20 30 DHEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192959 /nfs/dbraw/zinc/19/29/59/334192959.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 2 0 323.484 3.665 20 30 DHEDRP N#C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598006 334199618 /nfs/dbraw/zinc/19/96/18/334199618.db2.gz OSZNQFMPRHGTHA-VQTJNVASSA-N 2 0 323.484 3.667 20 30 DHEDRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000443980755 338465236 /nfs/dbraw/zinc/46/52/36/338465236.db2.gz NKGPGERGSDHZSR-UHFFFAOYSA-N 2 0 319.452 3.752 20 30 DHEDRP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000120175129 337395523 /nfs/dbraw/zinc/39/55/23/337395523.db2.gz TTYWVTJPYSXOLS-MJGOQNOKSA-N 2 0 313.489 3.817 20 30 DHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421363051 337532190 /nfs/dbraw/zinc/53/21/90/337532190.db2.gz KNABNMZBHZOIEJ-UHFFFAOYSA-N 2 0 317.452 3.545 20 30 DHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428876410 338064131 /nfs/dbraw/zinc/06/41/31/338064131.db2.gz LQEIYPDTDLIYMO-UHFFFAOYSA-N 2 0 318.408 3.897 20 30 DHEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442789697 338431557 /nfs/dbraw/zinc/43/15/57/338431557.db2.gz KENMNDIFEAPFJB-FXAWDEMLSA-N 2 0 311.473 3.700 20 30 DHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000506929548 340203945 /nfs/dbraw/zinc/20/39/45/340203945.db2.gz RMJBRHPFTYJKRC-UHFFFAOYSA-N 2 0 316.489 3.805 20 30 DHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181696821 520256582 /nfs/dbraw/zinc/25/65/82/520256582.db2.gz OPRZKJZQQTTXDN-MRXNPFEDSA-N 2 0 307.441 3.861 20 30 DHEDRP